smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1COC[C@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)CCN12 ZINC001232262544 769303053 /nfs/dbraw/zinc/30/30/53/769303053.db2.gz ITFFCKMLIIBKNM-SNVBAGLBSA-N 1 2 312.753 0.794 20 10 DCCDLO O=C1COC[C@H]2C[N@@H+](Cc3cc(Cl)c(O)cc3O)CCN12 ZINC001232262544 769303060 /nfs/dbraw/zinc/30/30/60/769303060.db2.gz ITFFCKMLIIBKNM-SNVBAGLBSA-N 1 2 312.753 0.794 20 10 DCCDLO COCCn1c[nH+]cc1CNC(=O)c1cc(O)c(O)c(OC)c1 ZINC001193114564 773007616 /nfs/dbraw/zinc/00/76/16/773007616.db2.gz WFPVOJSANGHOKZ-UHFFFAOYSA-N 1 2 321.333 0.879 20 10 DCCDLO O=C1N(C2COC2)C[C@@]2(F)C[N@@H+](Cc3ccccc3O)C[C@@]12F ZINC001272619416 942871484 /nfs/dbraw/zinc/87/14/84/942871484.db2.gz VPODYDALOIDMNC-JKSUJKDBSA-N 1 2 324.327 0.865 20 10 DCCDLO O=C1N(C2COC2)C[C@@]2(F)C[N@H+](Cc3ccccc3O)C[C@@]12F ZINC001272619416 942871487 /nfs/dbraw/zinc/87/14/87/942871487.db2.gz VPODYDALOIDMNC-JKSUJKDBSA-N 1 2 324.327 0.865 20 10 DCCDLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179687598 947886592 /nfs/dbraw/zinc/88/65/92/947886592.db2.gz ZTAFDMMRNREIBT-FVOPLDGLSA-N 1 2 320.345 0.427 20 10 DCCDLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179687598 947886600 /nfs/dbraw/zinc/88/66/00/947886600.db2.gz ZTAFDMMRNREIBT-FVOPLDGLSA-N 1 2 320.345 0.427 20 10 DCCDLO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001275909428 952517610 /nfs/dbraw/zinc/51/76/10/952517610.db2.gz YUTLQORFAJJZAT-OKILXGFUSA-N 1 2 307.369 0.878 20 10 DCCDLO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC001275909428 952517613 /nfs/dbraw/zinc/51/76/13/952517613.db2.gz YUTLQORFAJJZAT-OKILXGFUSA-N 1 2 307.369 0.878 20 10 DCCDLO COCCN1CC[N@H+](Cc2c(C)cc(OC)cc2O)CC1=O ZINC001560743967 1012455683 /nfs/dbraw/zinc/45/56/83/1012455683.db2.gz HKWDGAKOUFJLPP-UHFFFAOYSA-N 1 2 308.378 1.000 20 10 DCCDLO COCCN1CC[N@@H+](Cc2c(C)cc(OC)cc2O)CC1=O ZINC001560743967 1012455687 /nfs/dbraw/zinc/45/56/87/1012455687.db2.gz HKWDGAKOUFJLPP-UHFFFAOYSA-N 1 2 308.378 1.000 20 10 DCCDLO Cc1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(O)c1O ZINC000271294941 395855618 /nfs/dbraw/zinc/85/56/18/395855618.db2.gz QYILOBKOUYTMEA-LBPRGKRZSA-N 1 2 324.377 0.171 20 10 DCCDLO CC[N@H+](CCS(C)(=O)=O)Cc1cc2c(cc1O)OCO2 ZINC000270055189 396459931 /nfs/dbraw/zinc/45/99/31/396459931.db2.gz JGCHFEQESJTCIQ-UHFFFAOYSA-N 1 2 301.364 0.987 20 10 DCCDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc2c(cc1O)OCO2 ZINC000270055189 396459932 /nfs/dbraw/zinc/45/99/32/396459932.db2.gz JGCHFEQESJTCIQ-UHFFFAOYSA-N 1 2 301.364 0.987 20 10 DCCDLO NC(=O)CN1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294823709 396682463 /nfs/dbraw/zinc/68/24/63/396682463.db2.gz GJEWWJKHJZCULV-UHFFFAOYSA-N 1 2 301.749 0.788 20 10 DCCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1 ZINC000265634467 522187570 /nfs/dbraw/zinc/18/75/70/522187570.db2.gz GZGSDFQIONIGHN-OAHLLOKOSA-N 1 2 318.421 0.531 20 10 DCCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCN(C)C2=O)cc1 ZINC000265634467 522187578 /nfs/dbraw/zinc/18/75/78/522187578.db2.gz GZGSDFQIONIGHN-OAHLLOKOSA-N 1 2 318.421 0.531 20 10 DCCDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708495511 667444042 /nfs/dbraw/zinc/44/40/42/667444042.db2.gz DBIAXISGLBAUKB-GHMZBOCLSA-N 1 2 307.318 0.572 20 10 DCCDLO CCOC(=O)C[N@H+](CCC(=O)NC(N)=O)Cc1ccccc1O ZINC000823582083 671401196 /nfs/dbraw/zinc/40/11/96/671401196.db2.gz XERHEMSDGLGHPS-UHFFFAOYSA-N 1 2 323.349 0.342 20 10 DCCDLO CCOC(=O)C[N@@H+](CCC(=O)NC(N)=O)Cc1ccccc1O ZINC000823582083 671401197 /nfs/dbraw/zinc/40/11/97/671401197.db2.gz XERHEMSDGLGHPS-UHFFFAOYSA-N 1 2 323.349 0.342 20 10 DCCDLO C[NH+]1CCN(C2CCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC000827445294 671527867 /nfs/dbraw/zinc/52/78/67/671527867.db2.gz KWCRTGOYXWODLA-UHFFFAOYSA-N 1 2 319.405 0.950 20 10 DCCDLO CC[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465359 1166917946 /nfs/dbraw/zinc/91/79/46/1166917946.db2.gz GZNLPYIHIYLPAH-BXKDBHETSA-N 1 2 316.365 0.749 20 10 DCCDLO CC[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604057028 1169483152 /nfs/dbraw/zinc/48/31/52/1169483152.db2.gz ZBUUZPRVTJVTHP-CABZTGNLSA-N 1 2 316.365 0.844 20 10 DCCDLO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604872685 1169721479 /nfs/dbraw/zinc/72/14/79/1169721479.db2.gz SPOGGJNYTSNWRH-SECBINFHSA-N 1 2 318.381 0.995 20 10 DCCDLO O=c1[nH]ccn2c(C[NH2+]Cc3cc(F)cc(F)c3O)nnc12 ZINC001658014345 1173918823 /nfs/dbraw/zinc/91/88/23/1173918823.db2.gz NZGJIXVLBFMEEE-UHFFFAOYSA-N 1 2 307.260 0.691 20 10 DCCDLO CC1(CO)C[NH+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237203472 770033581 /nfs/dbraw/zinc/03/35/81/770033581.db2.gz SKFVNBIYUORJLM-UHFFFAOYSA-N 1 2 324.446 0.736 20 10 DCCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001178207977 770675035 /nfs/dbraw/zinc/67/50/35/770675035.db2.gz MUUXAUQMYXTYIA-CYBMUJFWSA-N 1 2 308.378 0.867 20 10 DCCDLO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(O)c1O ZINC001269607977 940741601 /nfs/dbraw/zinc/74/16/01/940741601.db2.gz ONSZILUEZBIQNX-KBPBESRZSA-N 1 2 319.405 0.948 20 10 DCCDLO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(O)c1O ZINC001269607977 940741605 /nfs/dbraw/zinc/74/16/05/940741605.db2.gz ONSZILUEZBIQNX-KBPBESRZSA-N 1 2 319.405 0.948 20 10 DCCDLO CN(Cc1ccccc1O)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1C ZINC001340044420 953140116 /nfs/dbraw/zinc/14/01/16/953140116.db2.gz PGNLRODKYWNZEB-STQMWFEESA-N 1 2 317.393 0.895 20 10 DCCDLO CN(Cc1ccccc1O)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1C ZINC001340044420 953140118 /nfs/dbraw/zinc/14/01/18/953140118.db2.gz PGNLRODKYWNZEB-STQMWFEESA-N 1 2 317.393 0.895 20 10 DCCDLO CCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)OC)c1O ZINC000270981534 395828426 /nfs/dbraw/zinc/82/84/26/395828426.db2.gz DHUDONMOSDTFFO-GFCCVEGCSA-N 1 2 322.361 0.654 20 10 DCCDLO CCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)OC)c1O ZINC000270981534 395828431 /nfs/dbraw/zinc/82/84/31/395828431.db2.gz DHUDONMOSDTFFO-GFCCVEGCSA-N 1 2 322.361 0.654 20 10 DCCDLO CNC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271839936 395872244 /nfs/dbraw/zinc/87/22/44/395872244.db2.gz QBUHAUFQEWWARU-UHFFFAOYSA-N 1 2 309.366 0.866 20 10 DCCDLO C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1C[N@H+](C)CCN1C ZINC000896545493 662286110 /nfs/dbraw/zinc/28/61/10/662286110.db2.gz MYWFRVGXEXRUBV-ONGXEEELSA-N 1 2 311.357 0.601 20 10 DCCDLO C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1C[N@@H+](C)CCN1C ZINC000896545493 662286111 /nfs/dbraw/zinc/28/61/11/662286111.db2.gz MYWFRVGXEXRUBV-ONGXEEELSA-N 1 2 311.357 0.601 20 10 DCCDLO CCS(=O)(=O)N1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000179668928 665393264 /nfs/dbraw/zinc/39/32/64/665393264.db2.gz LTTCCJKPLNNDIE-UHFFFAOYSA-N 1 2 314.407 0.868 20 10 DCCDLO COc1c(O)c(C[NH2+]CC2([NH3+])CCOCC2)ccc1[N+](=O)[O-] ZINC000863646058 667165869 /nfs/dbraw/zinc/16/58/69/667165869.db2.gz PKYSSJMYJQCXAI-UHFFFAOYSA-N 1 2 311.338 0.907 20 10 DCCDLO COc1c([O-])c(C[NH2+]CC2([NH3+])CCOCC2)ccc1[N+](=O)[O-] ZINC000863646058 667165874 /nfs/dbraw/zinc/16/58/74/667165874.db2.gz PKYSSJMYJQCXAI-UHFFFAOYSA-N 1 2 311.338 0.907 20 10 DCCDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)N(C)C)CC2)c(O)c1 ZINC000876566114 668466472 /nfs/dbraw/zinc/46/64/72/668466472.db2.gz YUKUHIRVSPIZOO-UHFFFAOYSA-N 1 2 313.423 0.625 20 10 DCCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C[C@@H](O)CN1CCOCC1 ZINC000876761278 668504826 /nfs/dbraw/zinc/50/48/26/668504826.db2.gz PUQJUJHMIFWCBL-GFCCVEGCSA-N 1 2 316.348 0.795 20 10 DCCDLO C[N@H+](Cc1ccc(F)c(F)c1O)C[C@@H](O)CN1CCOCC1 ZINC000876761278 668504829 /nfs/dbraw/zinc/50/48/29/668504829.db2.gz PUQJUJHMIFWCBL-GFCCVEGCSA-N 1 2 316.348 0.795 20 10 DCCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@]2(C(N)=O)CCOC2)c1O ZINC000847050478 670513519 /nfs/dbraw/zinc/51/35/19/670513519.db2.gz CMLGPSOVTNWOPU-CQSZACIVSA-N 1 2 312.753 0.982 20 10 DCCDLO CNS(=O)(=O)CC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000856718817 670843460 /nfs/dbraw/zinc/84/34/60/670843460.db2.gz RGSWZZMFJIMQJM-UHFFFAOYSA-N 1 2 313.423 0.366 20 10 DCCDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C ZINC001597911949 1168013284 /nfs/dbraw/zinc/01/32/84/1168013284.db2.gz RXENKUYJFHVAFV-NSHDSACASA-N 1 2 322.361 0.807 20 10 DCCDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C ZINC001597911949 1168013290 /nfs/dbraw/zinc/01/32/90/1168013290.db2.gz RXENKUYJFHVAFV-NSHDSACASA-N 1 2 322.361 0.807 20 10 DCCDLO C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603573840 1169326059 /nfs/dbraw/zinc/32/60/59/1169326059.db2.gz YSJWFZAFQMPJBW-FQJNGZCASA-N 1 2 309.395 0.990 20 10 DCCDLO O=C1COC[C@@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)CCN12 ZINC001232262543 769303020 /nfs/dbraw/zinc/30/30/20/769303020.db2.gz ITFFCKMLIIBKNM-JTQLQIEISA-N 1 2 312.753 0.794 20 10 DCCDLO O=C1COC[C@@H]2C[N@@H+](Cc3cc(Cl)c(O)cc3O)CCN12 ZINC001232262543 769303031 /nfs/dbraw/zinc/30/30/31/769303031.db2.gz ITFFCKMLIIBKNM-JTQLQIEISA-N 1 2 312.753 0.794 20 10 DCCDLO C[N@H+](Cc1cc(O)c(O)c(O)c1)C1CCS(=O)(=O)CC1 ZINC001233016024 769344383 /nfs/dbraw/zinc/34/43/83/769344383.db2.gz DRVRDNCEWXARBL-UHFFFAOYSA-N 1 2 301.364 0.812 20 10 DCCDLO C[N@@H+](Cc1cc(O)c(O)c(O)c1)C1CCS(=O)(=O)CC1 ZINC001233016024 769344395 /nfs/dbraw/zinc/34/43/95/769344395.db2.gz DRVRDNCEWXARBL-UHFFFAOYSA-N 1 2 301.364 0.812 20 10 DCCDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001157036792 771521561 /nfs/dbraw/zinc/52/15/61/771521561.db2.gz JCFGLPPZSCPGME-LLVKDONJSA-N 1 2 319.317 0.264 20 10 DCCDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001157036792 771521567 /nfs/dbraw/zinc/52/15/67/771521567.db2.gz JCFGLPPZSCPGME-LLVKDONJSA-N 1 2 319.317 0.264 20 10 DCCDLO O=C(NCC[NH+]1CC2(COC2)C1)c1ccc(O)c(O)c1Cl ZINC001193247138 773031732 /nfs/dbraw/zinc/03/17/32/773031732.db2.gz MKNYTHVANLPTLS-UHFFFAOYSA-N 1 2 312.753 0.813 20 10 DCCDLO CN(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(O)c3O)[C@@H]2C1 ZINC001269607813 940742260 /nfs/dbraw/zinc/74/22/60/940742260.db2.gz KZLHZMCSAUCBGR-GXTWGEPZSA-N 1 2 319.405 0.806 20 10 DCCDLO CN(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(O)c3O)[C@@H]2C1 ZINC001269607813 940742262 /nfs/dbraw/zinc/74/22/62/940742262.db2.gz KZLHZMCSAUCBGR-GXTWGEPZSA-N 1 2 319.405 0.806 20 10 DCCDLO COC(=O)Cc1ccc(C[N@@H+]2CCO[C@H](C(C)=O)C2)c(O)c1 ZINC001249218679 945625055 /nfs/dbraw/zinc/62/50/55/945625055.db2.gz ZLZVDJBDMHUBPA-HNNXBMFYSA-N 1 2 307.346 0.898 20 10 DCCDLO COC(=O)Cc1ccc(C[N@H+]2CCO[C@H](C(C)=O)C2)c(O)c1 ZINC001249218679 945625067 /nfs/dbraw/zinc/62/50/67/945625067.db2.gz ZLZVDJBDMHUBPA-HNNXBMFYSA-N 1 2 307.346 0.898 20 10 DCCDLO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3c[nH]cn3)cc2)CC1 ZINC001332296569 951570266 /nfs/dbraw/zinc/57/02/66/951570266.db2.gz KVILIBPDAARJAQ-UHFFFAOYSA-N 1 2 320.418 0.934 20 10 DCCDLO NC(=O)[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000092734755 185337164 /nfs/dbraw/zinc/33/71/64/185337164.db2.gz AWSZUMRPTJVIDA-NSHDSACASA-N 1 2 315.167 0.841 20 10 DCCDLO NC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000092734755 185337165 /nfs/dbraw/zinc/33/71/65/185337165.db2.gz AWSZUMRPTJVIDA-NSHDSACASA-N 1 2 315.167 0.841 20 10 DCCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCOC[C@H]1C)cc2=O ZINC000052608766 395866669 /nfs/dbraw/zinc/86/66/69/395866669.db2.gz ZMNGZMCHPJKASU-SNVBAGLBSA-N 1 2 320.349 0.832 20 10 DCCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCOC[C@H]1C)cc2=O ZINC000052608766 395866671 /nfs/dbraw/zinc/86/66/71/395866671.db2.gz ZMNGZMCHPJKASU-SNVBAGLBSA-N 1 2 320.349 0.832 20 10 DCCDLO COc1cc(C)cc(C[NH+]2CC(O)(c3ncnn3C)C2)c1O ZINC000895617238 662199902 /nfs/dbraw/zinc/19/99/02/662199902.db2.gz YZTPVTAGIKLKFT-UHFFFAOYSA-N 1 2 304.350 0.541 20 10 DCCDLO C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756488447 668090430 /nfs/dbraw/zinc/09/04/30/668090430.db2.gz DOGXZRKPKQEKAO-NSHDSACASA-N 1 2 322.365 0.725 20 10 DCCDLO COCC(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768440836 668608703 /nfs/dbraw/zinc/60/87/03/668608703.db2.gz ZLFDAQXSBULSNQ-AWEZNQCLSA-N 1 2 322.361 0.109 20 10 DCCDLO COc1cccc(CN2CC[NH+](CC[S@](C)=O)CC2)c1O ZINC000769477936 668650276 /nfs/dbraw/zinc/65/02/76/668650276.db2.gz BVKJPSGBTVXFBE-NRFANRHFSA-N 1 2 312.435 0.897 20 10 DCCDLO COc1cccc(C[NH+]2CCN(CC[S@](C)=O)CC2)c1O ZINC000769477936 668650281 /nfs/dbraw/zinc/65/02/81/668650281.db2.gz BVKJPSGBTVXFBE-NRFANRHFSA-N 1 2 312.435 0.897 20 10 DCCDLO C[C@H]1C[N@H+](CCNC(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000779512129 668911820 /nfs/dbraw/zinc/91/18/20/668911820.db2.gz ZHTFVEDFTKXOHA-PYEVWLCESA-N 1 2 306.362 0.948 20 10 DCCDLO C[C@H]1C[N@@H+](CCNC(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000779512129 668911822 /nfs/dbraw/zinc/91/18/22/668911822.db2.gz ZHTFVEDFTKXOHA-PYEVWLCESA-N 1 2 306.362 0.948 20 10 DCCDLO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c(Cl)c1 ZINC000840924393 671906213 /nfs/dbraw/zinc/90/62/13/671906213.db2.gz ZUWZZOWPPBQQBV-JTQLQIEISA-N 1 2 323.780 0.497 20 10 DCCDLO Cc1cc(O)c(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c(Cl)c1 ZINC000840924393 671906215 /nfs/dbraw/zinc/90/62/15/671906215.db2.gz ZUWZZOWPPBQQBV-JTQLQIEISA-N 1 2 323.780 0.497 20 10 DCCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000093082234 685109512 /nfs/dbraw/zinc/10/95/12/685109512.db2.gz BKKVUXBHVYVXSA-MRXNPFEDSA-N 1 2 320.389 0.897 20 10 DCCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000093082234 685109513 /nfs/dbraw/zinc/10/95/13/685109513.db2.gz BKKVUXBHVYVXSA-MRXNPFEDSA-N 1 2 320.389 0.897 20 10 DCCDLO C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589960026 1166730388 /nfs/dbraw/zinc/73/03/88/1166730388.db2.gz ZEQLRYOSJGZDKM-UWVGGRQHSA-N 1 2 306.370 0.145 20 10 DCCDLO C[C@H]([NH2+]CCN1CCCC1=O)c1cccc(-c2nn[nH]n2)c1O ZINC001589961676 1166730460 /nfs/dbraw/zinc/73/04/60/1166730460.db2.gz UCMALRKCRCCYKC-JTQLQIEISA-N 1 2 316.365 0.845 20 10 DCCDLO CC[C@H]([NH2+]Cc1cnn(C)n1)c1cccc(-c2nn[nH]n2)c1O ZINC001590470119 1166916861 /nfs/dbraw/zinc/91/68/61/1166916861.db2.gz UGANKYSCLPZSCM-LBPRGKRZSA-N 1 2 314.353 0.942 20 10 DCCDLO CCCNC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604221923 1169527955 /nfs/dbraw/zinc/52/79/55/1169527955.db2.gz KHWFFRDIQIBJIP-SECBINFHSA-N 1 2 304.354 0.749 20 10 DCCDLO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604877764 1169728036 /nfs/dbraw/zinc/72/80/36/1169728036.db2.gz IMVCMQMGFLKZLA-RKDXNWHRSA-N 1 2 304.354 0.748 20 10 DCCDLO CC(C)(CNS(N)(=O)=O)[NH2+]Cc1cccc(Cl)c1O ZINC001621506552 1171410845 /nfs/dbraw/zinc/41/08/45/1171410845.db2.gz JSAQLZQLLPXYNC-UHFFFAOYSA-N 1 2 307.803 0.707 20 10 DCCDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001626631782 1171485545 /nfs/dbraw/zinc/48/55/45/1171485545.db2.gz LFXYTLCLJILOAH-LBPRGKRZSA-N 1 2 308.378 0.819 20 10 DCCDLO COc1cc(C[NH+]2CC(N3CCN(C)C(=O)C3)C2)c(O)cc1O ZINC001231638397 769271829 /nfs/dbraw/zinc/27/18/29/769271829.db2.gz ZETICOBGNJDOKK-UHFFFAOYSA-N 1 2 321.377 0.065 20 10 DCCDLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)Cc1ccc(N)cc1 ZINC001220772194 774911975 /nfs/dbraw/zinc/91/19/75/774911975.db2.gz KGZCNDAWWOAWIR-AWEZNQCLSA-N 1 2 316.361 0.445 20 10 DCCDLO C[N@@H+]1CCO[C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@@H]21 ZINC001270703032 940968958 /nfs/dbraw/zinc/96/89/58/940968958.db2.gz AXNREHITPMPQOF-NSAARLCDSA-N 1 2 304.346 0.652 20 10 DCCDLO C[N@H+]1CCO[C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@@H]21 ZINC001270703032 940968960 /nfs/dbraw/zinc/96/89/60/940968960.db2.gz AXNREHITPMPQOF-NSAARLCDSA-N 1 2 304.346 0.652 20 10 DCCDLO CC[N@H+](CC(N)=O)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320676850 945972230 /nfs/dbraw/zinc/97/22/30/945972230.db2.gz KWUAGJHWERETGJ-UHFFFAOYSA-N 1 2 308.401 0.885 20 10 DCCDLO CC[N@@H+](CC(N)=O)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320676850 945972237 /nfs/dbraw/zinc/97/22/37/945972237.db2.gz KWUAGJHWERETGJ-UHFFFAOYSA-N 1 2 308.401 0.885 20 10 DCCDLO Oc1cc2c(cc1C[NH+]1CCN(Cc3nc[nH]n3)CC1)OCO2 ZINC001353606699 956123067 /nfs/dbraw/zinc/12/30/67/956123067.db2.gz SRBBMJDAVADZGW-UHFFFAOYSA-N 1 2 317.349 0.557 20 10 DCCDLO Oc1cc2c(cc1C[NH+]1CCN(Cc3nnc[nH]3)CC1)OCO2 ZINC001353606699 956123074 /nfs/dbraw/zinc/12/30/74/956123074.db2.gz SRBBMJDAVADZGW-UHFFFAOYSA-N 1 2 317.349 0.557 20 10 DCCDLO COc1ccc(-n2nnnc2C[NH2+]C/C=C/CNC(C)=O)cc1 ZINC001497512134 1018178222 /nfs/dbraw/zinc/17/82/22/1018178222.db2.gz MMICIFMLJLYOMV-ONEGZZNKSA-N 1 2 316.365 0.453 20 10 DCCDLO Cc1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c(O)c1O ZINC000912897352 664243333 /nfs/dbraw/zinc/24/33/33/664243333.db2.gz ZQDFVPILPFQAOE-UHFFFAOYSA-N 1 2 322.361 0.585 20 10 DCCDLO Cc1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c(O)c1O ZINC000912897352 664243335 /nfs/dbraw/zinc/24/33/35/664243335.db2.gz ZQDFVPILPFQAOE-UHFFFAOYSA-N 1 2 322.361 0.585 20 10 DCCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(OC)C3=O)CC2)cc1 ZINC000929153011 668658935 /nfs/dbraw/zinc/65/89/35/668658935.db2.gz LWNMKHGDQIRRSP-OAHLLOKOSA-N 1 2 305.378 0.980 20 10 DCCDLO CN(C)S(=O)(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778996761 668906922 /nfs/dbraw/zinc/90/69/22/668906922.db2.gz YSUAAYBXAAPTCB-UHFFFAOYSA-N 1 2 317.386 0.455 20 10 DCCDLO COC(=O)[C@H]([NH3+])Cc1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881378013 669331601 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DCCDLO C[C@@H]([NH2+]CC1(CO)COC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978522 1166734930 /nfs/dbraw/zinc/73/49/30/1166734930.db2.gz NHYZTZKAYPQIHJ-SECBINFHSA-N 1 2 305.338 0.232 20 10 DCCDLO O=C1NC[C@H]2C[N@H+](Cc3ccc(Cl)cc3O)CCN2C1=O ZINC001621136542 1171407096 /nfs/dbraw/zinc/40/70/96/1171407096.db2.gz UDMCJWYUHXJLGY-NSHDSACASA-N 1 2 309.753 0.188 20 10 DCCDLO O=C1NC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3O)CCN2C1=O ZINC001621136542 1171407100 /nfs/dbraw/zinc/40/71/00/1171407100.db2.gz UDMCJWYUHXJLGY-NSHDSACASA-N 1 2 309.753 0.188 20 10 DCCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)C1=NC2=[NH+]CCCN2N1 ZINC001623574744 1171441492 /nfs/dbraw/zinc/44/14/92/1171441492.db2.gz ZIZGVAAQYKLANL-UHFFFAOYSA-N 1 2 322.365 0.473 20 10 DCCDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001659633604 1173934003 /nfs/dbraw/zinc/93/40/03/1173934003.db2.gz QKAUXFJSRITALI-CMPLNLGQSA-N 1 2 307.318 0.572 20 10 DCCDLO O=C(CN1C(=O)CSC1=S)N1CCC(n2cc[nH+]c2)CC1 ZINC001144843645 767070983 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20 10 DCCDLO CC[N@H+](Cc1cn(C)nn1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000781579693 669050657 /nfs/dbraw/zinc/05/06/57/669050657.db2.gz DRYKKDRHLKHIKI-AWEZNQCLSA-N 1 2 304.350 0.969 20 10 DCCDLO CC[N@@H+](Cc1cn(C)nn1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000781579693 669050662 /nfs/dbraw/zinc/05/06/62/669050662.db2.gz DRYKKDRHLKHIKI-AWEZNQCLSA-N 1 2 304.350 0.969 20 10 DCCDLO COc1ccc(CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c(O)c1 ZINC000792957437 669694047 /nfs/dbraw/zinc/69/40/47/669694047.db2.gz VQRYMHFZTKVPAT-GFCCVEGCSA-N 1 2 323.393 0.921 20 10 DCCDLO COc1ccc(CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)c(O)c1 ZINC000792957437 669694050 /nfs/dbraw/zinc/69/40/50/669694050.db2.gz VQRYMHFZTKVPAT-GFCCVEGCSA-N 1 2 323.393 0.921 20 10 DCCDLO COc1c(O)c(C[N@@H+]2CCCN(C=O)CC2)ccc1[N+](=O)[O-] ZINC000827867860 671538688 /nfs/dbraw/zinc/53/86/88/671538688.db2.gz RJDHSXHFLNHTRZ-UHFFFAOYSA-N 1 2 309.322 0.973 20 10 DCCDLO COc1c(O)c(C[N@H+]2CCCN(C=O)CC2)ccc1[N+](=O)[O-] ZINC000827867860 671538689 /nfs/dbraw/zinc/53/86/89/671538689.db2.gz RJDHSXHFLNHTRZ-UHFFFAOYSA-N 1 2 309.322 0.973 20 10 DCCDLO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589961280 1166729969 /nfs/dbraw/zinc/72/99/69/1166729969.db2.gz LFVHFJQJABQZNG-MEBBXXQBSA-N 1 2 319.365 0.764 20 10 DCCDLO C/C(=C\C(=O)NCc1ccc(O)cc1O)C[NH+]1CCOCC1 ZINC000820540649 758145058 /nfs/dbraw/zinc/14/50/58/758145058.db2.gz TZIFYSZOYKJCAF-XYOKQWHBSA-N 1 2 306.362 0.993 20 10 DCCDLO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C1=CC(=O)CS1 ZINC001124023703 768099528 /nfs/dbraw/zinc/09/95/28/768099528.db2.gz VLFOKUBRGNOOCP-IINYFYTJSA-N 1 2 312.391 0.409 20 10 DCCDLO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)C1=CC(=O)CS1 ZINC001124023703 768099536 /nfs/dbraw/zinc/09/95/36/768099536.db2.gz VLFOKUBRGNOOCP-IINYFYTJSA-N 1 2 312.391 0.409 20 10 DCCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001139125647 768455484 /nfs/dbraw/zinc/45/54/84/768455484.db2.gz YZZLRBRJYCMCBC-IINYFYTJSA-N 1 2 305.330 0.592 20 10 DCCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001139125647 768455486 /nfs/dbraw/zinc/45/54/86/768455486.db2.gz YZZLRBRJYCMCBC-IINYFYTJSA-N 1 2 305.330 0.592 20 10 DCCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001139126381 768455888 /nfs/dbraw/zinc/45/58/88/768455888.db2.gz FHYKCZMYKZBQRT-FZMZJTMJSA-N 1 2 319.357 0.982 20 10 DCCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001139126381 768455893 /nfs/dbraw/zinc/45/58/93/768455893.db2.gz FHYKCZMYKZBQRT-FZMZJTMJSA-N 1 2 319.357 0.982 20 10 DCCDLO COc1cc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)cc(O)c1O ZINC001193113917 773007629 /nfs/dbraw/zinc/00/76/29/773007629.db2.gz DVPJVCVRTIUXPK-SNVBAGLBSA-N 1 2 307.306 0.163 20 10 DCCDLO COc1cc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)cc(O)c1O ZINC001193113917 773007634 /nfs/dbraw/zinc/00/76/34/773007634.db2.gz DVPJVCVRTIUXPK-SNVBAGLBSA-N 1 2 307.306 0.163 20 10 DCCDLO Cn1ccn2c(C[NH2+]Cc3cc(F)c(F)cc3O)nnc2c1=O ZINC001207314050 773192897 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CC(=O)NC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000265511783 519674259 /nfs/dbraw/zinc/67/42/59/519674259.db2.gz ZZGBMWSAHQCKSX-LBPRGKRZSA-N 1 2 308.334 0.458 20 10 DCCDLO CC(=O)NC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000265511783 519674260 /nfs/dbraw/zinc/67/42/60/519674260.db2.gz ZZGBMWSAHQCKSX-LBPRGKRZSA-N 1 2 308.334 0.458 20 10 DCCDLO CCNC(=O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000267195357 521739864 /nfs/dbraw/zinc/73/98/64/521739864.db2.gz MEEOSDIZBXCDEK-UHFFFAOYSA-N 1 2 307.350 0.968 20 10 DCCDLO O=S1(=O)NC[C@H]2C[N@H+](Cc3c(O)cccc3Cl)CCN21 ZINC000897285578 662432664 /nfs/dbraw/zinc/43/26/64/662432664.db2.gz YVCZBFCSHKFZRQ-VIFPVBQESA-N 1 2 317.798 0.380 20 10 DCCDLO O=S1(=O)NC[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCN21 ZINC000897285578 662432665 /nfs/dbraw/zinc/43/26/65/662432665.db2.gz YVCZBFCSHKFZRQ-VIFPVBQESA-N 1 2 317.798 0.380 20 10 DCCDLO C/C(=C/C(=O)NCc1ccc(O)c(O)c1)C[NH+]1CCOCC1 ZINC000901129876 663322164 /nfs/dbraw/zinc/32/21/64/663322164.db2.gz 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ZINC001640853401 1171894522 /nfs/dbraw/zinc/89/45/22/1171894522.db2.gz QLONNFMVLXKWEL-BETUJISGSA-N 1 2 306.362 0.620 20 10 DCCDLO O=C1NC(=O)C2(C[NH+](Cc3ccc(N4CCCC4)cc3)C2)N1 ZINC001120072800 766894419 /nfs/dbraw/zinc/89/44/19/766894419.db2.gz PLAPTSNVNPDBKZ-UHFFFAOYSA-N 1 2 300.362 0.681 20 10 DCCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001139126701 768455531 /nfs/dbraw/zinc/45/55/31/768455531.db2.gz NFADGFFLJALDTE-ABAIWWIYSA-N 1 2 319.357 0.982 20 10 DCCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001139126701 768455535 /nfs/dbraw/zinc/45/55/35/768455535.db2.gz NFADGFFLJALDTE-ABAIWWIYSA-N 1 2 319.357 0.982 20 10 DCCDLO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC001183048658 771596565 /nfs/dbraw/zinc/59/65/65/771596565.db2.gz LOKCTWYPYMVBLT-CYBMUJFWSA-N 1 2 316.365 0.579 20 10 DCCDLO Cn1ccn2c(C[NH2+]Cc3cc(F)cc(F)c3O)nnc2c1=O ZINC001203517321 772911081 /nfs/dbraw/zinc/91/10/81/772911081.db2.gz QXJBXIDVBRQSAE-UHFFFAOYSA-N 1 2 321.287 0.702 20 10 DCCDLO Oc1cc(O)c(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)cc1O ZINC001276516511 944196659 /nfs/dbraw/zinc/19/66/59/944196659.db2.gz FRMOXQYIIHKACE-UHFFFAOYSA-N 1 2 316.361 0.987 20 10 DCCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)cc1F ZINC000084866207 192471909 /nfs/dbraw/zinc/47/19/09/192471909.db2.gz LSIAZPQHXRFJRV-JTQLQIEISA-N 1 2 324.356 0.540 20 10 DCCDLO CN1CC[N@H+](C)[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272386741 130025524 /nfs/dbraw/zinc/02/55/24/130025524.db2.gz GGVQTSQBYIGDMZ-BPJJOFIESA-N 1 2 305.378 0.473 20 10 DCCDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272386741 130025527 /nfs/dbraw/zinc/02/55/27/130025527.db2.gz GGVQTSQBYIGDMZ-BPJJOFIESA-N 1 2 305.378 0.473 20 10 DCCDLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000071004798 396107865 /nfs/dbraw/zinc/10/78/65/396107865.db2.gz IILGLFJWQFXPEM-UHFFFAOYSA-N 1 2 312.435 1.000 20 10 DCCDLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000071004798 396107867 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CS(=O)(=O)NC1CC([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883112607 669650428 /nfs/dbraw/zinc/65/04/28/669650428.db2.gz RRTFAZWSZCAGSQ-UHFFFAOYSA-N 1 2 306.334 0.840 20 10 DCCDLO CC(C)CN1C(=O)C(=CNNc2ccnc[nH+]2)C(=O)NC1=S ZINC000840701229 671899948 /nfs/dbraw/zinc/89/99/48/671899948.db2.gz IJJNVSDCDQQYEO-UITAMQMPSA-N 1 2 320.378 0.176 20 10 DCCDLO C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589960027 1166731096 /nfs/dbraw/zinc/73/10/96/1166731096.db2.gz ZEQLRYOSJGZDKM-VHSXEESVSA-N 1 2 306.370 0.145 20 10 DCCDLO CC[C@@H]([NH2+]CC1(CO)COC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590462404 1166918405 /nfs/dbraw/zinc/91/84/05/1166918405.db2.gz CDKRSLOZBYDQFQ-GFCCVEGCSA-N 1 2 319.365 0.622 20 10 DCCDLO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cccc(-c2nn[nH]n2)c1O ZINC001603658586 1169343598 /nfs/dbraw/zinc/34/35/98/1169343598.db2.gz UFYDPQKVVAQZRS-BXKDBHETSA-N 1 2 316.365 0.892 20 10 DCCDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC001652133291 1173762972 /nfs/dbraw/zinc/76/29/72/1173762972.db2.gz FLBYFBHPXHWFSL-SNVBAGLBSA-N 1 2 324.337 0.812 20 10 DCCDLO COCCn1c[nH+]cc1CNC(=O)c1cc(O)c(O)c(O)c1 ZINC001148590182 768021556 /nfs/dbraw/zinc/02/15/56/768021556.db2.gz YGACZIJFGKRWDX-UHFFFAOYSA-N 1 2 307.306 0.576 20 10 DCCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001139126382 768455974 /nfs/dbraw/zinc/45/59/74/768455974.db2.gz FHYKCZMYKZBQRT-RISCZKNCSA-N 1 2 319.357 0.982 20 10 DCCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001139126382 768455978 /nfs/dbraw/zinc/45/59/78/768455978.db2.gz FHYKCZMYKZBQRT-RISCZKNCSA-N 1 2 319.357 0.982 20 10 DCCDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)ccc1O ZINC001140620875 768536454 /nfs/dbraw/zinc/53/64/54/768536454.db2.gz CYJMDBITZKHAMN-CYBMUJFWSA-N 1 2 306.362 0.954 20 10 DCCDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C)ccc1O ZINC001140620875 768536459 /nfs/dbraw/zinc/53/64/59/768536459.db2.gz CYJMDBITZKHAMN-CYBMUJFWSA-N 1 2 306.362 0.954 20 10 DCCDLO Cc1c(O)ccc(C[NH+]2CCN(S(C)(=O)=O)CC2)c1O ZINC001140746250 768544794 /nfs/dbraw/zinc/54/47/94/768544794.db2.gz XEXAWKMRLZUCRD-UHFFFAOYSA-N 1 2 300.380 0.483 20 10 DCCDLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001180708773 771165891 /nfs/dbraw/zinc/16/58/91/771165891.db2.gz YZUMGOYVNHYVHU-VIFPVBQESA-N 1 2 306.334 0.923 20 10 DCCDLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001180708773 771165892 /nfs/dbraw/zinc/16/58/92/771165892.db2.gz YZUMGOYVNHYVHU-VIFPVBQESA-N 1 2 306.334 0.923 20 10 DCCDLO CN(C)C(=O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000401762012 774065505 /nfs/dbraw/zinc/06/55/05/774065505.db2.gz WTMXTFWBFBTBFK-UHFFFAOYSA-N 1 2 307.350 0.920 20 10 DCCDLO C[N@@H+]1CCO[C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@H]21 ZINC001179682871 947895191 /nfs/dbraw/zinc/89/51/91/947895191.db2.gz AXNREHITPMPQOF-MOEUOMFESA-N 1 2 304.346 0.652 20 10 DCCDLO C[N@H+]1CCO[C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@H]21 ZINC001179682871 947895195 /nfs/dbraw/zinc/89/51/95/947895195.db2.gz AXNREHITPMPQOF-MOEUOMFESA-N 1 2 304.346 0.652 20 10 DCCDLO C/C(=C/C(=O)NCc1cccc(O)c1O)C[NH+]1CCOCC1 ZINC001263895597 948797831 /nfs/dbraw/zinc/79/78/31/948797831.db2.gz AKNGQBSHEKMJAL-XFXZXTDPSA-N 1 2 306.362 0.993 20 10 DCCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001336257834 952667987 /nfs/dbraw/zinc/66/79/87/952667987.db2.gz AOTGSWNINOJSLO-NSHDSACASA-N 1 2 314.345 0.636 20 10 DCCDLO COCCCNC(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000039561414 395732733 /nfs/dbraw/zinc/73/27/33/395732733.db2.gz ZKLDFUXFYWHYLJ-UHFFFAOYSA-N 1 2 321.421 0.970 20 10 DCCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180658037 665448685 /nfs/dbraw/zinc/44/86/85/665448685.db2.gz ITTKRQNXEIMUJH-PYEVWLCESA-N 1 2 306.362 0.948 20 10 DCCDLO COc1cc(C(=O)NC2C[NH+](C[C@@H](C)OC)C2)cc(OC)n1 ZINC001030612499 664603791 /nfs/dbraw/zinc/60/37/91/664603791.db2.gz QBPLENMOIYAHFN-SNVBAGLBSA-N 1 2 309.366 0.548 20 10 DCCDLO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cccc(-c2nn[nH]n2)c1O ZINC001589958307 1166730071 /nfs/dbraw/zinc/73/00/71/1166730071.db2.gz VOTZPWBMCZAGLX-CABZTGNLSA-N 1 2 316.365 0.844 20 10 DCCDLO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591465597 1167298110 /nfs/dbraw/zinc/29/81/10/1167298110.db2.gz BPLLMBHWOOWGKS-BDAKNGLRSA-N 1 2 320.353 0.631 20 10 DCCDLO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001662466416 1174212911 /nfs/dbraw/zinc/21/29/11/1174212911.db2.gz YXVZZGOUXMLDFQ-GFCCVEGCSA-N 1 2 323.773 0.824 20 10 DCCDLO O=C(CNC(=O)[C@@H]1CC2CC[NH+]1CC2)c1ccc(O)c(O)c1 ZINC001142634977 750099212 /nfs/dbraw/zinc/09/92/12/750099212.db2.gz DVCABJHRSQXEMJ-LBPRGKRZSA-N 1 2 304.346 0.881 20 10 DCCDLO O=C(CN1C(=O)CSC1=S)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001144844302 767062997 /nfs/dbraw/zinc/06/29/97/767062997.db2.gz PKJMTCZUYRAGHO-VIFPVBQESA-N 1 2 324.431 0.976 20 10 DCCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001139125649 768455937 /nfs/dbraw/zinc/45/59/37/768455937.db2.gz YZZLRBRJYCMCBC-YGRLFVJLSA-N 1 2 305.330 0.592 20 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ZINC000745803808 667856045 /nfs/dbraw/zinc/85/60/45/667856045.db2.gz WKRXNCPKBHTEBW-LBPRGKRZSA-N 1 2 323.393 0.921 20 10 DCCDLO COc1cccc(CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)c1O ZINC000745803808 667856049 /nfs/dbraw/zinc/85/60/49/667856049.db2.gz WKRXNCPKBHTEBW-LBPRGKRZSA-N 1 2 323.393 0.921 20 10 DCCDLO C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N1CC[NH2+]CC1=O ZINC000876712522 668492804 /nfs/dbraw/zinc/49/28/04/668492804.db2.gz INXXTPFKGUUKKQ-LBPRGKRZSA-N 1 2 304.394 0.189 20 10 DCCDLO COc1cc(C[NH+]2CC(OCC(=O)N(C)C)C2)c(O)cc1C ZINC000768465302 668610629 /nfs/dbraw/zinc/61/06/29/668610629.db2.gz ZICGYNDPTPZTMT-UHFFFAOYSA-N 1 2 308.378 0.998 20 10 DCCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000093082231 685109535 /nfs/dbraw/zinc/10/95/35/685109535.db2.gz BKKVUXBHVYVXSA-INIZCTEOSA-N 1 2 320.389 0.897 20 10 DCCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000093082231 685109537 /nfs/dbraw/zinc/10/95/37/685109537.db2.gz BKKVUXBHVYVXSA-INIZCTEOSA-N 1 2 320.389 0.897 20 10 DCCDLO NC(=O)C1=NO[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001651039364 1173739456 /nfs/dbraw/zinc/73/94/56/1173739456.db2.gz XVCKRQLXKIHLLI-QMMMGPOBSA-N 1 2 301.705 0.905 20 10 DCCDLO C/C(=C\C(=O)NCc1c(O)cccc1O)C[NH+]1CCOCC1 ZINC001652625342 1173773456 /nfs/dbraw/zinc/77/34/56/1173773456.db2.gz BWNHTPDLQXSFFY-FMIVXFBMSA-N 1 2 306.362 0.993 20 10 DCCDLO C/C(=C/C(=O)NCc1c(O)cccc1O)C[NH+]1CCOCC1 ZINC001652625343 1173773847 /nfs/dbraw/zinc/77/38/47/1173773847.db2.gz BWNHTPDLQXSFFY-XFXZXTDPSA-N 1 2 306.362 0.993 20 10 DCCDLO Oc1ccc(F)cc1C[NH+]1CCN(CCN2CCOCC2)CC1 ZINC001140055705 768511082 /nfs/dbraw/zinc/51/10/82/768511082.db2.gz QDKNYZNBRKFNLE-UHFFFAOYSA-N 1 2 323.412 0.981 20 10 DCCDLO Oc1ccc(O)c(C[NH+]2CCN(CCN3CCOCC3)CC2)c1 ZINC001141158795 768570371 /nfs/dbraw/zinc/57/03/71/768570371.db2.gz NMERABHOTGLSER-UHFFFAOYSA-N 1 2 321.421 0.548 20 10 DCCDLO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233016519 769344039 /nfs/dbraw/zinc/34/40/39/769344039.db2.gz 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773007221 /nfs/dbraw/zinc/00/72/21/773007221.db2.gz RKAKNCVJVPYRIL-UHFFFAOYSA-N 1 2 322.361 0.701 20 10 DCCDLO CC[NH+]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001335542341 952555072 /nfs/dbraw/zinc/55/50/72/952555072.db2.gz LWHZJIPNTIVPMN-UHFFFAOYSA-N 1 2 303.362 0.399 20 10 DCCDLO NC(=O)[C@H]1C[NH+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1C(N)=O ZINC001474648884 1017028895 /nfs/dbraw/zinc/02/88/95/1017028895.db2.gz SFTOIHRGSHQWMT-IUCAKERBSA-N 1 2 315.732 0.203 20 10 DCCDLO C[C@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+]1CCN(C)CC1 ZINC000270547528 395782086 /nfs/dbraw/zinc/78/20/86/395782086.db2.gz MZXKTCZTLNTSPX-GFCCVEGCSA-N 1 2 307.394 0.392 20 10 DCCDLO C[C@H](O)C(=O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271187387 395845085 /nfs/dbraw/zinc/84/50/85/395845085.db2.gz NSSAWHZGWOTUCW-JTQLQIEISA-N 1 2 308.334 0.146 20 10 DCCDLO O=C1NC[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCN2C1=O ZINC000091866317 415539843 /nfs/dbraw/zinc/53/98/43/415539843.db2.gz ATEOXFKYQBVURL-NSHDSACASA-N 1 2 309.753 0.188 20 10 DCCDLO O=C1NC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCN2C1=O ZINC000091866317 415539846 /nfs/dbraw/zinc/53/98/46/415539846.db2.gz ATEOXFKYQBVURL-NSHDSACASA-N 1 2 309.753 0.188 20 10 DCCDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181019583 522836182 /nfs/dbraw/zinc/83/61/82/522836182.db2.gz KOKOEUJHIMMOPA-HWKANZROSA-N 1 2 306.362 0.902 20 10 DCCDLO CCC[N@H+](CC(N)=O)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839608610 668122519 /nfs/dbraw/zinc/12/25/19/668122519.db2.gz WGVFACPXTOYJON-UHFFFAOYSA-N 1 2 306.410 0.566 20 10 DCCDLO CCC[N@@H+](CC(N)=O)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839608610 668122524 /nfs/dbraw/zinc/12/25/24/668122524.db2.gz WGVFACPXTOYJON-UHFFFAOYSA-N 1 2 306.410 0.566 20 10 DCCDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876652290 668482377 /nfs/dbraw/zinc/48/23/77/668482377.db2.gz NVEABZRJNFLCFH-ZDUSSCGKSA-N 1 2 303.406 0.968 20 10 DCCDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876652290 668482381 /nfs/dbraw/zinc/48/23/81/668482381.db2.gz NVEABZRJNFLCFH-ZDUSSCGKSA-N 1 2 303.406 0.968 20 10 DCCDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768466304 668610688 /nfs/dbraw/zinc/61/06/88/668610688.db2.gz YHJHDPPLKISQBA-CYBMUJFWSA-N 1 2 315.391 0.685 20 10 DCCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768466304 668610690 /nfs/dbraw/zinc/61/06/90/668610690.db2.gz YHJHDPPLKISQBA-CYBMUJFWSA-N 1 2 315.391 0.685 20 10 DCCDLO C[N@H+](CCS(N)(=O)=O)Cc1cccc(Br)c1O ZINC000877827218 668652075 /nfs/dbraw/zinc/65/20/75/668652075.db2.gz PLFXDYOMGMBAES-UHFFFAOYSA-N 1 2 323.212 0.875 20 10 DCCDLO C[N@@H+](CCS(N)(=O)=O)Cc1cccc(Br)c1O ZINC000877827218 668652077 /nfs/dbraw/zinc/65/20/77/668652077.db2.gz PLFXDYOMGMBAES-UHFFFAOYSA-N 1 2 323.212 0.875 20 10 DCCDLO NC(=O)[C@H]1CSCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000930142674 668966840 /nfs/dbraw/zinc/96/68/40/668966840.db2.gz MGJPBULJOLMEQC-OAHLLOKOSA-N 1 2 321.446 0.926 20 10 DCCDLO NC(=O)[C@H]1CSCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000930142674 668966846 /nfs/dbraw/zinc/96/68/46/668966846.db2.gz MGJPBULJOLMEQC-OAHLLOKOSA-N 1 2 321.446 0.926 20 10 DCCDLO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cccc(-c2nn[nH]n2)c1O ZINC001589958303 1166730185 /nfs/dbraw/zinc/73/01/85/1166730185.db2.gz VOTZPWBMCZAGLX-BXKDBHETSA-N 1 2 316.365 0.844 20 10 DCCDLO COCCOCC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591439774 1167288348 /nfs/dbraw/zinc/28/83/48/1167288348.db2.gz ZVRSHRJEPHKBPJ-SNVBAGLBSA-N 1 2 307.354 0.886 20 10 DCCDLO CC[C@H]([NH2+]CCOCCO)c1cccc(-c2nn[nH]n2)c1O ZINC001604055857 1169482665 /nfs/dbraw/zinc/48/26/65/1169482665.db2.gz PFZYRMZXLHEDDP-LBPRGKRZSA-N 1 2 307.354 0.622 20 10 DCCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001139126383 768455633 /nfs/dbraw/zinc/45/56/33/768455633.db2.gz FHYKCZMYKZBQRT-SMDDNHRTSA-N 1 2 319.357 0.982 20 10 DCCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001139126383 768455638 /nfs/dbraw/zinc/45/56/38/768455638.db2.gz FHYKCZMYKZBQRT-SMDDNHRTSA-N 1 2 319.357 0.982 20 10 DCCDLO C[NH+]1CCN(C2C[NH+](Cc3ccc(C(=O)[O-])cc3O)C2)CC1 ZINC001231453524 769267598 /nfs/dbraw/zinc/26/75/98/769267598.db2.gz IESHSWOHDUENBI-UHFFFAOYSA-N 1 2 305.378 0.522 20 10 DCCDLO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1c(O)ccc(F)c1F ZINC001233336210 769360309 /nfs/dbraw/zinc/36/03/09/769360309.db2.gz CHNORXPFZZIROO-NSHDSACASA-N 1 2 300.305 0.959 20 10 DCCDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1c(O)ccc(F)c1F ZINC001233336210 769360321 /nfs/dbraw/zinc/36/03/21/769360321.db2.gz CHNORXPFZZIROO-NSHDSACASA-N 1 2 300.305 0.959 20 10 DCCDLO C[C@H](NC(=O)NCc1c(O)cccc1F)[C@H]1CN(C)CC[N@@H+]1C ZINC001346768835 953957703 /nfs/dbraw/zinc/95/77/03/953957703.db2.gz ZWAUOALATXAJBM-SMDDNHRTSA-N 1 2 324.400 0.965 20 10 DCCDLO C[C@H](NC(=O)NCc1c(O)cccc1F)[C@H]1CN(C)CC[N@H+]1C ZINC001346768835 953957710 /nfs/dbraw/zinc/95/77/10/953957710.db2.gz ZWAUOALATXAJBM-SMDDNHRTSA-N 1 2 324.400 0.965 20 10 DCCDLO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001461794887 1013038850 /nfs/dbraw/zinc/03/88/50/1013038850.db2.gz 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O=S1(=O)CC[C@@](O)(C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC001205832157 773023720 /nfs/dbraw/zinc/02/37/20/773023720.db2.gz LLQQCVNJZGFEKZ-GFCCVEGCSA-N 1 2 305.783 0.685 20 10 DCCDLO C/C(=C\C(=O)NCc1cc(O)ccc1O)C[NH+]1CCOCC1 ZINC001558175275 1012331862 /nfs/dbraw/zinc/33/18/62/1012331862.db2.gz KJNDTFBWFZNETG-XYOKQWHBSA-N 1 2 306.362 0.993 20 10 DCCDLO CN(C)C(=O)C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000007242617 395683325 /nfs/dbraw/zinc/68/33/25/395683325.db2.gz FBFQVYOKEBGDNQ-UHFFFAOYSA-N 1 2 306.410 0.389 20 10 DCCDLO CN(C)C(=O)C[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000007242617 395683326 /nfs/dbraw/zinc/68/33/26/395683326.db2.gz FBFQVYOKEBGDNQ-UHFFFAOYSA-N 1 2 306.410 0.389 20 10 DCCDLO CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000068678591 396061434 /nfs/dbraw/zinc/06/14/34/396061434.db2.gz SPARZHPZLIHQEJ-LBPRGKRZSA-N 1 2 320.393 0.661 20 10 DCCDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000276275473 415462919 /nfs/dbraw/zinc/46/29/19/415462919.db2.gz 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668855524 /nfs/dbraw/zinc/85/55/24/668855524.db2.gz JMHIPFBWXUIURX-UHFFFAOYSA-N 1 2 322.277 0.686 20 10 DCCDLO COc1cc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1OC ZINC000779432871 668910882 /nfs/dbraw/zinc/91/08/82/668910882.db2.gz KSJBTQJZDGNEDY-JTQLQIEISA-N 1 2 321.333 0.145 20 10 DCCDLO COc1cc(O)c(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1OC ZINC000779432871 668910883 /nfs/dbraw/zinc/91/08/83/668910883.db2.gz KSJBTQJZDGNEDY-JTQLQIEISA-N 1 2 321.333 0.145 20 10 DCCDLO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c(Cl)c1 ZINC000840924394 671906577 /nfs/dbraw/zinc/90/65/77/671906577.db2.gz ZUWZZOWPPBQQBV-SNVBAGLBSA-N 1 2 323.780 0.497 20 10 DCCDLO Cc1cc(O)c(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c(Cl)c1 ZINC000840924394 671906579 /nfs/dbraw/zinc/90/65/79/671906579.db2.gz ZUWZZOWPPBQQBV-SNVBAGLBSA-N 1 2 323.780 0.497 20 10 DCCDLO O=C(C=Cc1ccc(O)c(O)c1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001587876266 1166513145 /nfs/dbraw/zinc/51/31/45/1166513145.db2.gz XZYXVGGHIVWUOM-KMOQFTEPSA-N 1 2 303.318 0.554 20 10 DCCDLO O=C(C=Cc1ccc(O)c(O)c1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001587876266 1166513149 /nfs/dbraw/zinc/51/31/49/1166513149.db2.gz XZYXVGGHIVWUOM-KMOQFTEPSA-N 1 2 303.318 0.554 20 10 DCCDLO C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589962864 1166729405 /nfs/dbraw/zinc/72/94/05/1166729405.db2.gz UNTKYGRDRACUQW-NXEZZACHSA-N 1 2 316.365 0.749 20 10 DCCDLO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)C1 ZINC001602931126 1169210241 /nfs/dbraw/zinc/21/02/41/1169210241.db2.gz VRHDOYLKEIZRJQ-GXSJLCMTSA-N 1 2 316.365 0.844 20 10 DCCDLO CC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604057033 1169482388 /nfs/dbraw/zinc/48/23/88/1169482388.db2.gz ZBUUZPRVTJVTHP-SKDRFNHKSA-N 1 2 316.365 0.844 20 10 DCCDLO COc1cc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c(O)cc1O ZINC001231634915 769271565 /nfs/dbraw/zinc/27/15/65/769271565.db2.gz BKXAXOFDEADVAT-JTQLQIEISA-N 1 2 301.364 0.725 20 10 DCCDLO COc1cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c(O)cc1O ZINC001231634915 769271572 /nfs/dbraw/zinc/27/15/72/769271572.db2.gz BKXAXOFDEADVAT-JTQLQIEISA-N 1 2 301.364 0.725 20 10 DCCDLO CC1(C)CN(Cc2cc(O)c(O)c(O)c2)CC[N@@H+]1CC(N)=O ZINC001233016676 769343417 /nfs/dbraw/zinc/34/34/17/769343417.db2.gz JOROZWFLLACXJK-UHFFFAOYSA-N 1 2 309.366 0.185 20 10 DCCDLO CC1(C)CN(Cc2cc(O)c(O)c(O)c2)CC[N@H+]1CC(N)=O ZINC001233016676 769343426 /nfs/dbraw/zinc/34/34/26/769343426.db2.gz JOROZWFLLACXJK-UHFFFAOYSA-N 1 2 309.366 0.185 20 10 DCCDLO NC(=O)C1C[NH+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236770746 770018109 /nfs/dbraw/zinc/01/81/09/770018109.db2.gz KEKNUCCJZHOWBV-UHFFFAOYSA-N 1 2 301.140 0.777 20 10 DCCDLO Cc1cc(F)cc(C[NH+]2CCN(S(C)(=O)=O)CC2)c1O ZINC001238060544 770094857 /nfs/dbraw/zinc/09/48/57/770094857.db2.gz IYHYTAKUVJNPQU-UHFFFAOYSA-N 1 2 302.371 0.917 20 10 DCCDLO COc1cccc(O)c1C[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC001334327047 952288342 /nfs/dbraw/zinc/28/83/42/952288342.db2.gz OIMZODVWXMOVBP-UHFFFAOYSA-N 1 2 315.333 0.432 20 10 DCCDLO CC(C)NC(=O)C(=O)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001352787947 955765503 /nfs/dbraw/zinc/76/55/03/955765503.db2.gz KKJUCFRQIWBDEL-UHFFFAOYSA-N 1 2 304.394 0.438 20 10 DCCDLO C[C@H](O)c1cn(C2C[NH+](Cc3cc4c(cc3O)OCO4)C2)nn1 ZINC000371564427 239184767 /nfs/dbraw/zinc/18/47/67/239184767.db2.gz QPUUGBFTYVZMLS-VIFPVBQESA-N 1 2 318.333 0.823 20 10 DCCDLO O=C1NC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCN2C1=O ZINC000091866316 415538147 /nfs/dbraw/zinc/53/81/47/415538147.db2.gz ATEOXFKYQBVURL-LLVKDONJSA-N 1 2 309.753 0.188 20 10 DCCDLO O=C1NC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCN2C1=O ZINC000091866316 415538156 /nfs/dbraw/zinc/53/81/56/415538156.db2.gz ATEOXFKYQBVURL-LLVKDONJSA-N 1 2 309.753 0.188 20 10 DCCDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC000184685787 533952119 /nfs/dbraw/zinc/95/21/19/533952119.db2.gz YDVWEJMRDIGDCX-LLVKDONJSA-N 1 2 300.742 0.740 20 10 DCCDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC000184685787 533952129 /nfs/dbraw/zinc/95/21/29/533952129.db2.gz YDVWEJMRDIGDCX-LLVKDONJSA-N 1 2 300.742 0.740 20 10 DCCDLO CC(C)NC(=O)C(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179893214 519700385 /nfs/dbraw/zinc/70/03/85/519700385.db2.gz BAQQGCRUEDDLRU-UHFFFAOYSA-N 1 2 323.368 0.700 20 10 DCCDLO COc1ccc(O)c(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000734071198 666845835 /nfs/dbraw/zinc/84/58/35/666845835.db2.gz QLVBXBMSAYTCTK-LBPRGKRZSA-N 1 2 323.393 0.921 20 10 DCCDLO COc1ccc(O)c(CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000734071198 666845838 /nfs/dbraw/zinc/84/58/38/666845838.db2.gz QLVBXBMSAYTCTK-LBPRGKRZSA-N 1 2 323.393 0.921 20 10 DCCDLO COc1ccc(O)c(CNC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000866767296 667396250 /nfs/dbraw/zinc/39/62/50/667396250.db2.gz OZVOYIGHSNIJNJ-IHWYPQMZSA-N 1 2 306.362 0.905 20 10 DCCDLO CN(C)C(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768439693 668608951 /nfs/dbraw/zinc/60/89/51/668608951.db2.gz MPAHVJUHUDCDCT-CQSZACIVSA-N 1 2 321.377 0.617 20 10 DCCDLO COc1cc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1OC ZINC000779432872 668910904 /nfs/dbraw/zinc/91/09/04/668910904.db2.gz KSJBTQJZDGNEDY-SNVBAGLBSA-N 1 2 321.333 0.145 20 10 DCCDLO COc1cc(O)c(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1OC ZINC000779432872 668910905 /nfs/dbraw/zinc/91/09/05/668910905.db2.gz KSJBTQJZDGNEDY-SNVBAGLBSA-N 1 2 321.333 0.145 20 10 DCCDLO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cccc(-c2nn[nH]n2)c1O ZINC001589974343 1166733795 /nfs/dbraw/zinc/73/37/95/1166733795.db2.gz UBGGSRNBUVXXMI-XXILOJSOSA-N 1 2 305.338 0.373 20 10 DCCDLO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591462141 1167297061 /nfs/dbraw/zinc/29/70/61/1167297061.db2.gz BPLLMBHWOOWGKS-RKDXNWHRSA-N 1 2 320.353 0.631 20 10 DCCDLO O=C1NC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)CCN2C1=O ZINC001621136541 1171406702 /nfs/dbraw/zinc/40/67/02/1171406702.db2.gz UDMCJWYUHXJLGY-LLVKDONJSA-N 1 2 309.753 0.188 20 10 DCCDLO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3O)CCN2C1=O ZINC001621136541 1171406705 /nfs/dbraw/zinc/40/67/05/1171406705.db2.gz UDMCJWYUHXJLGY-LLVKDONJSA-N 1 2 309.753 0.188 20 10 DCCDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(O)c1O ZINC001635961009 1171719686 /nfs/dbraw/zinc/71/96/86/1171719686.db2.gz TTYJGQHZGOEWGN-SNVBAGLBSA-N 1 2 305.290 0.335 20 10 DCCDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(O)c1O ZINC001635961009 1171719694 /nfs/dbraw/zinc/71/96/94/1171719694.db2.gz TTYJGQHZGOEWGN-SNVBAGLBSA-N 1 2 305.290 0.335 20 10 DCCDLO CCOc1ccc(C[NH+]2CC3(C2)CN(C)C(=O)CO3)c(O)c1 ZINC001274765836 951829642 /nfs/dbraw/zinc/82/96/42/951829642.db2.gz PURHQLFPMYNEHR-UHFFFAOYSA-N 1 2 306.362 0.834 20 10 DCCDLO COc1c(O)c(C[NH2+][C@@H](CO)c2ncc[nH]2)ccc1[N+](=O)[O-] ZINC001308953101 960187288 /nfs/dbraw/zinc/18/72/88/960187288.db2.gz CGRYEZMQRWDZST-VIFPVBQESA-N 1 2 308.294 0.855 20 10 DCCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC(N)=O)CC2)cc1 ZINC000097653820 395759909 /nfs/dbraw/zinc/75/99/09/395759909.db2.gz VPSQQUOCQAJTST-LLVKDONJSA-N 1 2 306.366 0.401 20 10 DCCDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCN1S(C)(=O)=O ZINC000180906918 416200400 /nfs/dbraw/zinc/20/04/00/416200400.db2.gz QXXNGSJCAHAKTG-JTQLQIEISA-N 1 2 302.371 0.997 20 10 DCCDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCN1S(C)(=O)=O ZINC000180906918 416200405 /nfs/dbraw/zinc/20/04/05/416200405.db2.gz QXXNGSJCAHAKTG-JTQLQIEISA-N 1 2 302.371 0.997 20 10 DCCDLO C[N@H+](CCS(N)(=O)=O)Cc1c(O)cccc1Br ZINC000877826274 668653199 /nfs/dbraw/zinc/65/31/99/668653199.db2.gz XEDJFUSJZBPBPS-UHFFFAOYSA-N 1 2 323.212 0.875 20 10 DCCDLO C[N@@H+](CCS(N)(=O)=O)Cc1c(O)cccc1Br ZINC000877826274 668653201 /nfs/dbraw/zinc/65/32/01/668653201.db2.gz XEDJFUSJZBPBPS-UHFFFAOYSA-N 1 2 323.212 0.875 20 10 DCCDLO COc1c(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1[N+](=O)[O-] ZINC000802657181 670204636 /nfs/dbraw/zinc/20/46/36/670204636.db2.gz VPOLMHRFPOORRK-PHIMTYICSA-N 1 2 310.306 0.909 20 10 DCCDLO COc1c(O)c(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1[N+](=O)[O-] ZINC000802657181 670204637 /nfs/dbraw/zinc/20/46/37/670204637.db2.gz VPOLMHRFPOORRK-PHIMTYICSA-N 1 2 310.306 0.909 20 10 DCCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc(=O)n(C)[nH]2)cc1 ZINC000844401227 672179590 /nfs/dbraw/zinc/17/95/90/672179590.db2.gz LAZDTLRZTPPWIW-UHFFFAOYSA-N 1 2 305.382 0.685 20 10 DCCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc(=O)n(C)[nH]2)cc1 ZINC000844401227 672179593 /nfs/dbraw/zinc/17/95/93/672179593.db2.gz LAZDTLRZTPPWIW-UHFFFAOYSA-N 1 2 305.382 0.685 20 10 DCCDLO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cccc(-c2nn[nH]n2)c1O ZINC001589958310 1166730352 /nfs/dbraw/zinc/73/03/52/1166730352.db2.gz VOTZPWBMCZAGLX-JOYOIKCWSA-N 1 2 316.365 0.844 20 10 DCCDLO C[C@@H]([NH2+]CCC(=O)N(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589964771 1166732387 /nfs/dbraw/zinc/73/23/87/1166732387.db2.gz SFLPBBGEIQGAKO-SECBINFHSA-N 1 2 304.354 0.701 20 10 DCCDLO C[C@H]([NH2+]CC1(CO)COC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978523 1166736189 /nfs/dbraw/zinc/73/61/89/1166736189.db2.gz NHYZTZKAYPQIHJ-VIFPVBQESA-N 1 2 305.338 0.232 20 10 DCCDLO CO[C@](C)(CO)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591318921 1167212797 /nfs/dbraw/zinc/21/27/97/1167212797.db2.gz OTCBICPUOBMZQA-OTYXRUKQSA-N 1 2 307.354 0.620 20 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CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465939 668610511 /nfs/dbraw/zinc/61/05/11/668610511.db2.gz SZWFSXZOIXBEJL-TZMCWYRMSA-N 1 2 306.362 0.919 20 10 DCCDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465939 668610514 /nfs/dbraw/zinc/61/05/14/668610514.db2.gz SZWFSXZOIXBEJL-TZMCWYRMSA-N 1 2 306.362 0.919 20 10 DCCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC(=O)N1 ZINC000877567970 668629796 /nfs/dbraw/zinc/62/97/96/668629796.db2.gz WDCZNMKNSHPHPV-CYBMUJFWSA-N 1 2 303.406 0.968 20 10 DCCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC(=O)N1 ZINC000877567970 668629797 /nfs/dbraw/zinc/62/97/97/668629797.db2.gz WDCZNMKNSHPHPV-CYBMUJFWSA-N 1 2 303.406 0.968 20 10 DCCDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779511416 668911956 /nfs/dbraw/zinc/91/19/56/668911956.db2.gz IYMNGJBLEXDQMV-KTLBGCOUSA-N 1 2 306.362 0.948 20 10 DCCDLO C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779511416 668911957 /nfs/dbraw/zinc/91/19/57/668911957.db2.gz 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CC[C@@H]([NH2+]C[C@H](O)COC)c1cccc(-c2nn[nH]n2)c1O ZINC001590464927 1166918360 /nfs/dbraw/zinc/91/83/60/1166918360.db2.gz BPFHBPPQUWDSCC-JOYOIKCWSA-N 1 2 307.354 0.620 20 10 DCCDLO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591318920 1167211713 /nfs/dbraw/zinc/21/17/13/1167211713.db2.gz OTCBICPUOBMZQA-LKFCYVNXSA-N 1 2 307.354 0.620 20 10 DCCDLO COc1c(O)c(C[N@H+](C)CCS(N)(=O)=O)ccc1[N+](=O)[O-] ZINC001659947516 1173936558 /nfs/dbraw/zinc/93/65/58/1173936558.db2.gz IGBHQTTZWOSYQX-UHFFFAOYSA-N 1 2 319.339 0.029 20 10 DCCDLO COc1c(O)c(C[N@@H+](C)CCS(N)(=O)=O)ccc1[N+](=O)[O-] ZINC001659947516 1173936561 /nfs/dbraw/zinc/93/65/61/1173936561.db2.gz IGBHQTTZWOSYQX-UHFFFAOYSA-N 1 2 319.339 0.029 20 10 DCCDLO O=C1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCCN1 ZINC001140660549 768538693 /nfs/dbraw/zinc/53/86/93/768538693.db2.gz VRQTVBVRZDRSOB-UHFFFAOYSA-N 1 2 307.369 0.984 20 10 DCCDLO O=C1C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CCCN1 ZINC001140660549 768538699 /nfs/dbraw/zinc/53/86/99/768538699.db2.gz 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/nfs/dbraw/zinc/49/99/64/657499964.db2.gz HCZYBWLLCZQELB-UHFFFAOYSA-N 1 2 324.377 0.700 20 10 DCCDLO O=C(NCc1ccccc1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934934829 657536053 /nfs/dbraw/zinc/53/60/53/657536053.db2.gz BAXNAHQBJSPYLI-ZBFHGGJFSA-N 1 2 320.389 0.888 20 10 DCCDLO COc1ccc(C[N@H+](C)CCS(C)(=O)=O)c(O)c1OC ZINC000891631784 657557693 /nfs/dbraw/zinc/55/76/93/657557693.db2.gz ZGFNOOZAJCQHDR-UHFFFAOYSA-N 1 2 303.380 0.886 20 10 DCCDLO COc1ccc(C[N@@H+](C)CCS(C)(=O)=O)c(O)c1OC ZINC000891631784 657557696 /nfs/dbraw/zinc/55/76/96/657557696.db2.gz ZGFNOOZAJCQHDR-UHFFFAOYSA-N 1 2 303.380 0.886 20 10 DCCDLO COc1cccc(CNC(=O)/C=C\C[NH+]2CCOCC2)c1O ZINC000866763720 667395597 /nfs/dbraw/zinc/39/55/97/667395597.db2.gz NCKCUQZDNOELBM-UTCJRWHESA-N 1 2 306.362 0.905 20 10 DCCDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708495513 667444099 /nfs/dbraw/zinc/44/40/99/667444099.db2.gz DBIAXISGLBAUKB-QWRGUYRKSA-N 1 2 307.318 0.572 20 10 DCCDLO C[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1c(O)cccc1F ZINC000886651733 667786238 /nfs/dbraw/zinc/78/62/38/667786238.db2.gz PSGMQJKFCHGQNL-MRVPVSSYSA-N 1 2 305.313 0.717 20 10 DCCDLO Nc1ccc(CCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000851662814 671007273 /nfs/dbraw/zinc/00/72/73/671007273.db2.gz KMRWMXOMRUJOJY-MRXNPFEDSA-N 1 2 318.421 0.927 20 10 DCCDLO COC(=O)c1cnc(SCC(=O)N2CC[NH+](C)CC2)s1 ZINC000829681478 671583887 /nfs/dbraw/zinc/58/38/87/671583887.db2.gz XLRVQYDZIJNOSM-UHFFFAOYSA-N 1 2 315.420 0.796 20 10 DCCDLO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CCO)C1 ZINC000957442947 687061929 /nfs/dbraw/zinc/06/19/29/687061929.db2.gz NEJKFTVNBULTNM-UHFFFAOYSA-N 1 2 319.365 0.988 20 10 DCCDLO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cccc(-c2nn[nH]n2)c1O ZINC001589903510 1166712488 /nfs/dbraw/zinc/71/24/88/1166712488.db2.gz DPRWCODMPMKWBY-VHSXEESVSA-N 1 2 314.353 0.903 20 10 DCCDLO COC[C@](C)(O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591371712 1167244151 /nfs/dbraw/zinc/24/41/51/1167244151.db2.gz ZJFFLAQXOUTYHQ-YMTOWFKASA-N 1 2 307.354 0.620 20 10 DCCDLO COCC(COC)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591377695 1167250418 /nfs/dbraw/zinc/25/04/18/1167250418.db2.gz PFCGCNVLYZAGLC-SECBINFHSA-N 1 2 307.354 0.884 20 10 DCCDLO CC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604057031 1169483117 /nfs/dbraw/zinc/48/31/17/1169483117.db2.gz ZBUUZPRVTJVTHP-JOYOIKCWSA-N 1 2 316.365 0.844 20 10 DCCDLO COc1c(O)c(C[NH2+][C@@H](C)C2N=NC(=O)N2C)ccc1[N+](=O)[O-] ZINC001652756560 1173775557 /nfs/dbraw/zinc/77/55/57/1173775557.db2.gz ORWVJVCNIMVGSW-ZETCQYMHSA-N 1 2 323.309 0.994 20 10 DCCDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001659633614 1173933721 /nfs/dbraw/zinc/93/37/21/1173933721.db2.gz QKAUXFJSRITALI-PWSUYJOCSA-N 1 2 307.318 0.572 20 10 DCCDLO C[C@H](C[NH+]1CCOCC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403439 747232939 /nfs/dbraw/zinc/23/29/39/747232939.db2.gz ITTKRQNXEIMUJH-KTLBGCOUSA-N 1 2 306.362 0.948 20 10 DCCDLO COc1cc(C[NH+]2CCOCC2)ccc1N1C[C@H](O)C[C@@H]1CO ZINC001170290063 762606042 /nfs/dbraw/zinc/60/60/42/762606042.db2.gz WCQXQUQQBJZIRZ-HUUCEWRRSA-N 1 2 322.405 0.459 20 10 DCCDLO CN1CCOc2cc(C[NH+]3CCN(CC(N)=O)CC3)ccc21 ZINC001141143737 768568934 /nfs/dbraw/zinc/56/89/34/768568934.db2.gz IJWSRQOJYOGGTJ-UHFFFAOYSA-N 1 2 304.394 0.118 20 10 DCCDLO O=S1(=O)CCN(c2ccc(C[NH+]3CC4(COC4)C3)cc2)CC1 ZINC001237203052 770034699 /nfs/dbraw/zinc/03/46/99/770034699.db2.gz PCJIUHXYWOJRKN-UHFFFAOYSA-N 1 2 322.430 0.754 20 10 DCCDLO O=C(NCCc1cc(O)c(O)cc1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119520 770633178 /nfs/dbraw/zinc/63/31/78/770633178.db2.gz QTVXJKMENJWVMS-LLVKDONJSA-N 1 2 317.345 0.921 20 10 DCCDLO CN(C)C(=O)CN1CC2(C1)C[NH+](Cc1c(O)cccc1F)C2 ZINC001276353956 942098152 /nfs/dbraw/zinc/09/81/52/942098152.db2.gz ALMFOWLSOPODAQ-UHFFFAOYSA-N 1 2 307.369 0.737 20 10 DCCDLO Oc1cc(CN2CC3(CC[N@@H+]3Cc3cn[nH]c3)C2)cc(O)c1O ZINC001276833313 944320226 /nfs/dbraw/zinc/32/02/26/944320226.db2.gz LPYCRCGEBWASBR-UHFFFAOYSA-N 1 2 316.361 0.987 20 10 DCCDLO Oc1cc(CN2CC3(CC[N@H+]3Cc3cn[nH]c3)C2)cc(O)c1O ZINC001276833313 944320234 /nfs/dbraw/zinc/32/02/34/944320234.db2.gz LPYCRCGEBWASBR-UHFFFAOYSA-N 1 2 316.361 0.987 20 10 DCCDLO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)c(O)c1O ZINC001319948920 945700759 /nfs/dbraw/zinc/70/07/59/945700759.db2.gz BCZDFQMQSBJFPG-JTQLQIEISA-N 1 2 307.350 0.086 20 10 DCCDLO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)c(O)c1O ZINC001319948920 945700772 /nfs/dbraw/zinc/70/07/72/945700772.db2.gz BCZDFQMQSBJFPG-JTQLQIEISA-N 1 2 307.350 0.086 20 10 DCCDLO COC(=O)C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000370145325 533646194 /nfs/dbraw/zinc/64/61/94/533646194.db2.gz COWFXUAFYOJRAN-LLVKDONJSA-N 1 2 309.318 0.885 20 10 DCCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000370145325 533646200 /nfs/dbraw/zinc/64/62/00/533646200.db2.gz COWFXUAFYOJRAN-LLVKDONJSA-N 1 2 309.318 0.885 20 10 DCCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC(N)=O)CC2)cc1F ZINC000084866209 415501851 /nfs/dbraw/zinc/50/18/51/415501851.db2.gz LSIAZPQHXRFJRV-SNVBAGLBSA-N 1 2 324.356 0.540 20 10 DCCDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465938 668610575 /nfs/dbraw/zinc/61/05/75/668610575.db2.gz SZWFSXZOIXBEJL-OCCSQVGLSA-N 1 2 306.362 0.919 20 10 DCCDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465938 668610578 /nfs/dbraw/zinc/61/05/78/668610578.db2.gz SZWFSXZOIXBEJL-OCCSQVGLSA-N 1 2 306.362 0.919 20 10 DCCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC(=O)N1 ZINC000877567971 668629859 /nfs/dbraw/zinc/62/98/59/668629859.db2.gz WDCZNMKNSHPHPV-ZDUSSCGKSA-N 1 2 303.406 0.968 20 10 DCCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC(=O)N1 ZINC000877567971 668629860 /nfs/dbraw/zinc/62/98/60/668629860.db2.gz WDCZNMKNSHPHPV-ZDUSSCGKSA-N 1 2 303.406 0.968 20 10 DCCDLO COC(=O)c1cn(C2C[NH+](Cc3c(O)cccc3OC)C2)nn1 ZINC000779613811 668919838 /nfs/dbraw/zinc/91/98/38/668919838.db2.gz PHEDCAARCXYXOR-UHFFFAOYSA-N 1 2 318.333 0.836 20 10 DCCDLO Oc1cc2c(cc1C[NH+]1CCN([C@@H]3CCOC3)CC1)[C@H](O)CO2 ZINC000853553802 671243237 /nfs/dbraw/zinc/24/32/37/671243237.db2.gz SCBGLINZSXZADN-CZUORRHYSA-N 1 2 320.389 0.725 20 10 DCCDLO Oc1cc2c(cc1CN1CC[NH+]([C@@H]3CCOC3)CC1)[C@H](O)CO2 ZINC000853553802 671243243 /nfs/dbraw/zinc/24/32/43/671243243.db2.gz SCBGLINZSXZADN-CZUORRHYSA-N 1 2 320.389 0.725 20 10 DCCDLO CCN1C[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)CC1=O ZINC001590728682 1166983071 /nfs/dbraw/zinc/98/30/71/1166983071.db2.gz FUODRAGLBLFOLM-VHSXEESVSA-N 1 2 316.365 0.844 20 10 DCCDLO OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233487233 769370822 /nfs/dbraw/zinc/37/08/22/769370822.db2.gz VSHNFRMHLANMOR-LBPRGKRZSA-N 1 2 305.334 0.767 20 10 DCCDLO OC[C@@H]1CCn2nccc2C[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233487233 769370834 /nfs/dbraw/zinc/37/08/34/769370834.db2.gz VSHNFRMHLANMOR-LBPRGKRZSA-N 1 2 305.334 0.767 20 10 DCCDLO COc1cc(C(=O)N(C(N)=[NH2+])c2cc(C)[nH]n2)cc(O)c1O ZINC001193132711 773014654 /nfs/dbraw/zinc/01/46/54/773014654.db2.gz VSAAMIMCXCXGCP-UHFFFAOYSA-N 1 2 305.294 0.678 20 10 DCCDLO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cccc(Cl)c1O ZINC000277339265 396063033 /nfs/dbraw/zinc/06/30/33/396063033.db2.gz CWELEHNTVCLCBE-UHFFFAOYSA-N 1 2 321.830 0.968 20 10 DCCDLO O=S1(=O)CC[C@H](N2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC000179553991 396227751 /nfs/dbraw/zinc/22/77/51/396227751.db2.gz VEFHKOPUCCQJGI-AWEZNQCLSA-N 1 2 310.419 0.697 20 10 DCCDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cc(F)cc(F)c1O ZINC000893902792 661417276 /nfs/dbraw/zinc/41/72/76/661417276.db2.gz XABYMZXIACBKPB-UHFFFAOYSA-N 1 2 300.305 0.961 20 10 DCCDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(F)cc(F)c1O ZINC000893902792 661417279 /nfs/dbraw/zinc/41/72/79/661417279.db2.gz XABYMZXIACBKPB-UHFFFAOYSA-N 1 2 300.305 0.961 20 10 DCCDLO COc1ccc(C[NH+]2CCN(C(=O)CO)CC2)c(O)c1OC ZINC000894287111 661804028 /nfs/dbraw/zinc/80/40/28/661804028.db2.gz SZHQZDWYQBKXLL-UHFFFAOYSA-N 1 2 310.350 0.046 20 10 DCCDLO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000897053548 662387101 /nfs/dbraw/zinc/38/71/01/662387101.db2.gz STQAXXIQIYYJPH-QMMMGPOBSA-N 1 2 306.334 0.781 20 10 DCCDLO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000897053548 662387103 /nfs/dbraw/zinc/38/71/03/662387103.db2.gz STQAXXIQIYYJPH-QMMMGPOBSA-N 1 2 306.334 0.781 20 10 DCCDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1OC ZINC000862535283 667047377 /nfs/dbraw/zinc/04/73/77/667047377.db2.gz HYMMQGZVNPOYFH-NSHDSACASA-N 1 2 310.350 0.486 20 10 DCCDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1OC ZINC000862535283 667047379 /nfs/dbraw/zinc/04/73/79/667047379.db2.gz HYMMQGZVNPOYFH-NSHDSACASA-N 1 2 310.350 0.486 20 10 DCCDLO COc1c(O)c(CN2CC[N@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000877645025 668636314 /nfs/dbraw/zinc/63/63/14/668636314.db2.gz YLWMCCJZXZGCGF-LLVKDONJSA-N 1 2 311.338 0.417 20 10 DCCDLO COc1c(O)c(CN2CC[N@@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000877645025 668636316 /nfs/dbraw/zinc/63/63/16/668636316.db2.gz YLWMCCJZXZGCGF-LLVKDONJSA-N 1 2 311.338 0.417 20 10 DCCDLO COc1cccc(CNS(=O)(=O)CCn2cc[nH+]c2)c1O ZINC000881916884 669417910 /nfs/dbraw/zinc/41/79/10/669417910.db2.gz ASQRWJHVGHOUIB-UHFFFAOYSA-N 1 2 311.363 0.717 20 10 DCCDLO C[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(N(C)C)cc1 ZINC000883303227 669668242 /nfs/dbraw/zinc/66/82/42/669668242.db2.gz RVMDAGJXFYGBDR-NSHDSACASA-N 1 2 314.393 0.938 20 10 DCCDLO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978129 1166734344 /nfs/dbraw/zinc/73/43/44/1166734344.db2.gz LAAYRBLDQQBGIY-OTYXRUKQSA-N 1 2 305.338 0.374 20 10 DCCDLO CNC(=O)CCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591206756 1167154301 /nfs/dbraw/zinc/15/43/01/1167154301.db2.gz IGBHZOHKTRWFRN-VIFPVBQESA-N 1 2 304.354 0.749 20 10 DCCDLO COCC(COC)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591377697 1167248802 /nfs/dbraw/zinc/24/88/02/1167248802.db2.gz PFCGCNVLYZAGLC-VIFPVBQESA-N 1 2 307.354 0.884 20 10 DCCDLO COCCOCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591439773 1167288298 /nfs/dbraw/zinc/28/82/98/1167288298.db2.gz ZVRSHRJEPHKBPJ-JTQLQIEISA-N 1 2 307.354 0.886 20 10 DCCDLO CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CCO)C1 ZINC001044355586 752702982 /nfs/dbraw/zinc/70/29/82/752702982.db2.gz VHBVXKDMYDXQTE-UHFFFAOYSA-N 1 2 305.338 0.598 20 10 DCCDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486337 769370766 /nfs/dbraw/zinc/37/07/66/769370766.db2.gz JFYVHDYCAKTTDJ-SNVBAGLBSA-N 1 2 301.364 0.812 20 10 DCCDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486337 769370772 /nfs/dbraw/zinc/37/07/72/769370772.db2.gz JFYVHDYCAKTTDJ-SNVBAGLBSA-N 1 2 301.364 0.812 20 10 DCCDLO COc1cc(C[NH+]2CC(N3CCNC(=O)C3)C2)c(O)c(OC)c1 ZINC001237677782 770071849 /nfs/dbraw/zinc/07/18/49/770071849.db2.gz ICZVFTJFZUNWBV-UHFFFAOYSA-N 1 2 321.377 0.025 20 10 DCCDLO O=C(NCCn1cc[nH+]c1)c1cc2cc(O)c(O)cc2oc1=O ZINC001155218540 770434581 /nfs/dbraw/zinc/43/45/81/770434581.db2.gz VXBAAENFHBHSSP-UHFFFAOYSA-N 1 2 315.285 0.831 20 10 DCCDLO COc1cc(C(=O)NCC[NH+]2CC3(COC3)C2)cc(O)c1O ZINC001193120281 773009104 /nfs/dbraw/zinc/00/91/04/773009104.db2.gz RRONLUOTMPJGFQ-UHFFFAOYSA-N 1 2 308.334 0.168 20 10 DCCDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000688543793 775777097 /nfs/dbraw/zinc/77/70/97/775777097.db2.gz OKQVUXKVOMKVTR-VIFPVBQESA-N 1 2 301.364 0.986 20 10 DCCDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000688543793 775777102 /nfs/dbraw/zinc/77/71/02/775777102.db2.gz OKQVUXKVOMKVTR-VIFPVBQESA-N 1 2 301.364 0.986 20 10 DCCDLO Cc1ccc(C[NH+]2CC3(C2)CN(C2COC2)C(=O)CO3)c(O)c1 ZINC001272766851 944218083 /nfs/dbraw/zinc/21/80/83/944218083.db2.gz UXBDCYNRVVQOJU-UHFFFAOYSA-N 1 2 318.373 0.513 20 10 DCCDLO COc1cccc(O)c1C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC001332021899 951438778 /nfs/dbraw/zinc/43/87/78/951438778.db2.gz QWXQFRXYPPZWAM-UHFFFAOYSA-N 1 2 303.366 0.837 20 10 DCCDLO COc1cccc(O)c1C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC001332021899 951438784 /nfs/dbraw/zinc/43/87/84/951438784.db2.gz QWXQFRXYPPZWAM-UHFFFAOYSA-N 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CNC(=O)NC[C@@H]1C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000862459124 667045064 /nfs/dbraw/zinc/04/50/64/667045064.db2.gz NBAUWAXQPTYQQH-LLVKDONJSA-N 1 2 309.366 0.531 20 10 DCCDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000862459124 667045069 /nfs/dbraw/zinc/04/50/69/667045069.db2.gz NBAUWAXQPTYQQH-LLVKDONJSA-N 1 2 309.366 0.531 20 10 DCCDLO COc1ccc(O)c(CN2CC[NH+](CC[S@](C)=O)CC2)c1 ZINC000775717610 668866756 /nfs/dbraw/zinc/86/67/56/668866756.db2.gz PVGAFXWKTVZYOR-NRFANRHFSA-N 1 2 312.435 0.897 20 10 DCCDLO CCN(C)c1ccc(Cn2cc(C[C@@H]([NH3+])C(=O)OC)nn2)cc1 ZINC000881316634 669321973 /nfs/dbraw/zinc/32/19/73/669321973.db2.gz XFPBSBOJGKBMTK-OAHLLOKOSA-N 1 2 317.393 0.825 20 10 DCCDLO CCC[N@H+](CC(N)=O)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000795511998 669894757 /nfs/dbraw/zinc/89/47/57/669894757.db2.gz VCHLBECBRAWRIL-UHFFFAOYSA-N 1 2 320.437 0.908 20 10 DCCDLO CCC[N@@H+](CC(N)=O)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000795511998 669894762 /nfs/dbraw/zinc/89/47/62/669894762.db2.gz 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301.394 0.893 20 10 DCCDLO O=S1(=O)NC[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CCN21 ZINC000897285577 662432697 /nfs/dbraw/zinc/43/26/97/662432697.db2.gz YVCZBFCSHKFZRQ-SECBINFHSA-N 1 2 317.798 0.380 20 10 DCCDLO O=S1(=O)NC[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCN21 ZINC000897285577 662432698 /nfs/dbraw/zinc/43/26/98/662432698.db2.gz YVCZBFCSHKFZRQ-SECBINFHSA-N 1 2 317.798 0.380 20 10 DCCDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708495512 667444167 /nfs/dbraw/zinc/44/41/67/667444167.db2.gz DBIAXISGLBAUKB-MNOVXSKESA-N 1 2 307.318 0.572 20 10 DCCDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000746692551 667885666 /nfs/dbraw/zinc/88/56/66/667885666.db2.gz VTQGXDOWXRLRIC-UHFFFAOYSA-N 1 2 324.362 0.459 20 10 DCCDLO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000877678397 668639230 /nfs/dbraw/zinc/63/92/30/668639230.db2.gz FQWODMCWJJMAJJ-YUMQZZPRSA-N 1 2 316.304 0.826 20 10 DCCDLO O=C(c1c(F)ccc(O)c1O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000848375507 670676404 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COc1cccc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c1O ZINC000266863519 525987269 /nfs/dbraw/zinc/98/72/69/525987269.db2.gz SPPBUOHTPQSBIS-ZDUSSCGKSA-N 1 2 322.409 0.446 20 10 DCCDLO COc1cccc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c1O ZINC000266863519 525987278 /nfs/dbraw/zinc/98/72/78/525987278.db2.gz SPPBUOHTPQSBIS-ZDUSSCGKSA-N 1 2 322.409 0.446 20 10 DCCDLO COc1ccc(N2CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)CC2)cc1 ZINC000864469940 667256977 /nfs/dbraw/zinc/25/69/77/667256977.db2.gz CNMNANJCJCGATE-HNNXBMFYSA-N 1 2 316.361 0.801 20 10 DCCDLO CCOCCN1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768446431 668609118 /nfs/dbraw/zinc/60/91/18/668609118.db2.gz KEJBXJQIKIZLLK-INIZCTEOSA-N 1 2 322.405 0.972 20 10 DCCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000808213717 670398784 /nfs/dbraw/zinc/39/87/84/670398784.db2.gz ULYAZWXCMUNKHB-FZMZJTMJSA-N 1 2 323.345 0.582 20 10 DCCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000808213717 670398787 /nfs/dbraw/zinc/39/87/87/670398787.db2.gz ULYAZWXCMUNKHB-FZMZJTMJSA-N 1 2 323.345 0.582 20 10 DCCDLO Oc1cc2c(cc1C[NH+]1CCN([C@H]3CCOC3)CC1)[C@H](O)CO2 ZINC000853553804 671243468 /nfs/dbraw/zinc/24/34/68/671243468.db2.gz SCBGLINZSXZADN-XJKSGUPXSA-N 1 2 320.389 0.725 20 10 DCCDLO Oc1cc2c(cc1CN1CC[NH+]([C@H]3CCOC3)CC1)[C@H](O)CO2 ZINC000853553804 671243471 /nfs/dbraw/zinc/24/34/71/671243471.db2.gz SCBGLINZSXZADN-XJKSGUPXSA-N 1 2 320.389 0.725 20 10 DCCDLO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603573842 1169326643 /nfs/dbraw/zinc/32/66/43/1169326643.db2.gz YSJWFZAFQMPJBW-HORACTTISA-N 1 2 309.395 0.990 20 10 DCCDLO CN(Cc1ccccc1O)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001116972036 765939905 /nfs/dbraw/zinc/93/99/05/765939905.db2.gz AKTXOALZHNHQKY-UHFFFAOYSA-N 1 2 302.334 0.364 20 10 DCCDLO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016130 769344134 /nfs/dbraw/zinc/34/41/34/769344134.db2.gz NMBXGMGOGKSYKH-LLVKDONJSA-N 1 2 310.350 0.530 20 10 DCCDLO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016130 769344142 /nfs/dbraw/zinc/34/41/42/769344142.db2.gz NMBXGMGOGKSYKH-LLVKDONJSA-N 1 2 310.350 0.530 20 10 DCCDLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001180708771 771165877 /nfs/dbraw/zinc/16/58/77/771165877.db2.gz YZUMGOYVNHYVHU-SECBINFHSA-N 1 2 306.334 0.923 20 10 DCCDLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001180708771 771165878 /nfs/dbraw/zinc/16/58/78/771165878.db2.gz YZUMGOYVNHYVHU-SECBINFHSA-N 1 2 306.334 0.923 20 10 DCCDLO COC(=O)Cc1ccc(C[N@@H+]2CCO[C@@H](C(=O)OC)C2)c(O)c1 ZINC001249174029 945622296 /nfs/dbraw/zinc/62/22/96/945622296.db2.gz YELINSHBWKMZCA-CQSZACIVSA-N 1 2 323.345 0.482 20 10 DCCDLO COC(=O)Cc1ccc(C[N@H+]2CCO[C@@H](C(=O)OC)C2)c(O)c1 ZINC001249174029 945622299 /nfs/dbraw/zinc/62/22/99/945622299.db2.gz YELINSHBWKMZCA-CQSZACIVSA-N 1 2 323.345 0.482 20 10 DCCDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)cc1 ZINC001320226923 945777287 /nfs/dbraw/zinc/77/72/87/945777287.db2.gz WSTHDIAGJNMVRW-LBPRGKRZSA-N 1 2 320.393 0.791 20 10 DCCDLO O=C(NCCCn1cc[nH+]c1)C(=O)N1Cc2cccc(O)c2C1 ZINC001329879923 949944094 /nfs/dbraw/zinc/94/40/94/949944094.db2.gz VJLXVPTVFYXIIR-UHFFFAOYSA-N 1 2 314.345 0.637 20 10 DCCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)cc1 ZINC000097653819 395759944 /nfs/dbraw/zinc/75/99/44/395759944.db2.gz VPSQQUOCQAJTST-NSHDSACASA-N 1 2 306.366 0.401 20 10 DCCDLO COc1c(O)c(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000278847175 415500377 /nfs/dbraw/zinc/50/03/77/415500377.db2.gz KTHXYPHLXGJBLY-SNVBAGLBSA-N 1 2 322.321 0.518 20 10 DCCDLO COc1c(O)c(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000278847175 415500388 /nfs/dbraw/zinc/50/03/88/415500388.db2.gz KTHXYPHLXGJBLY-SNVBAGLBSA-N 1 2 322.321 0.518 20 10 DCCDLO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCNC1=O ZINC000298625274 416018030 /nfs/dbraw/zinc/01/80/30/416018030.db2.gz VHAGRHOXRHMNRL-HNNXBMFYSA-N 1 2 318.421 0.579 20 10 DCCDLO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCNC1=O ZINC000298625274 416018031 /nfs/dbraw/zinc/01/80/31/416018031.db2.gz VHAGRHOXRHMNRL-HNNXBMFYSA-N 1 2 318.421 0.579 20 10 DCCDLO COc1cc(O)c(C[NH+]2CCN(C[C@@H](C)O)CC2)cc1OC ZINC000188733528 522773090 /nfs/dbraw/zinc/77/30/90/522773090.db2.gz CNSSJIIPYUAYJE-GFCCVEGCSA-N 1 2 310.394 0.908 20 10 DCCDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000159805492 523282987 /nfs/dbraw/zinc/28/29/87/523282987.db2.gz LXNAYQMGNKZKMH-CYBMUJFWSA-N 1 2 306.362 0.873 20 10 DCCDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000159805492 523282993 /nfs/dbraw/zinc/28/29/93/523282993.db2.gz LXNAYQMGNKZKMH-CYBMUJFWSA-N 1 2 306.362 0.873 20 10 DCCDLO C[C@H](O)C(=O)N1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000131644010 525691991 /nfs/dbraw/zinc/69/19/91/525691991.db2.gz CFMBSFHAQLXHTI-LBPRGKRZSA-N 1 2 309.385 0.917 20 10 DCCDLO O=C1NC(=O)C2(CC[NH+](Cc3cc(F)cc(F)c3O)CC2)N1 ZINC000894421902 661968128 /nfs/dbraw/zinc/96/81/28/661968128.db2.gz JPFULGRAQPAICW-UHFFFAOYSA-N 1 2 311.288 0.844 20 10 DCCDLO COc1ccc(O)c(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000734067423 666844921 /nfs/dbraw/zinc/84/49/21/666844921.db2.gz XXWZRFFBIQMYIF-LBPRGKRZSA-N 1 2 323.393 0.921 20 10 DCCDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1OC ZINC000862535282 667047534 /nfs/dbraw/zinc/04/75/34/667047534.db2.gz HYMMQGZVNPOYFH-LLVKDONJSA-N 1 2 310.350 0.486 20 10 DCCDLO COc1cc(O)c(C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1OC ZINC000862535282 667047538 /nfs/dbraw/zinc/04/75/38/667047538.db2.gz HYMMQGZVNPOYFH-LLVKDONJSA-N 1 2 310.350 0.486 20 10 DCCDLO CN(C)c1ccc(C[NH+]2CC(n3cc(C(N)=O)nn3)C2)cc1 ZINC000839144251 667734079 /nfs/dbraw/zinc/73/40/79/667734079.db2.gz SJSVCONEXWNIRK-UHFFFAOYSA-N 1 2 300.366 0.500 20 10 DCCDLO Nc1ccc(OCc2cn(CC[NH+]3CCOCC3)nn2)cc1 ZINC000881288622 669318261 /nfs/dbraw/zinc/31/82/61/669318261.db2.gz OHBKWVNLAZBHQU-UHFFFAOYSA-N 1 2 303.366 0.772 20 10 DCCDLO C[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(F)cc1O ZINC000883304502 669669924 /nfs/dbraw/zinc/66/99/24/669669924.db2.gz YISVONXOAAPDRF-QMMMGPOBSA-N 1 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CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCNC1=O ZINC000298625276 416018802 /nfs/dbraw/zinc/01/88/02/416018802.db2.gz VHAGRHOXRHMNRL-OAHLLOKOSA-N 1 2 318.421 0.579 20 10 DCCDLO O=C1NC[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCN2C1=O ZINC000180692094 527074457 /nfs/dbraw/zinc/07/44/57/527074457.db2.gz PJSRBGQOPDWUNQ-SNVBAGLBSA-N 1 2 309.753 0.188 20 10 DCCDLO O=C1NC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCN2C1=O ZINC000180692094 527074461 /nfs/dbraw/zinc/07/44/61/527074461.db2.gz PJSRBGQOPDWUNQ-SNVBAGLBSA-N 1 2 309.753 0.188 20 10 DCCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000772217758 668765983 /nfs/dbraw/zinc/76/59/83/668765983.db2.gz DIFFXHJSJQBHNL-LLVKDONJSA-N 1 2 316.354 0.597 20 10 DCCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000772217758 668765984 /nfs/dbraw/zinc/76/59/84/668765984.db2.gz DIFFXHJSJQBHNL-LLVKDONJSA-N 1 2 316.354 0.597 20 10 DCCDLO COc1c(O)c(C[NH2+]Cc2nnnn2C2CC2)ccc1[N+](=O)[O-] ZINC000775028614 668854424 /nfs/dbraw/zinc/85/44/24/668854424.db2.gz 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ZINC000127274852 1177302095 /nfs/dbraw/zinc/30/20/95/1177302095.db2.gz MIQVKTRCGKIDHP-UHFFFAOYSA-N 1 2 314.407 0.868 20 10 DCCDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156344 768570296 /nfs/dbraw/zinc/57/02/96/768570296.db2.gz VBZAOZLGQSKOOZ-OAHLLOKOSA-N 1 2 306.362 0.921 20 10 DCCDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCc1ccc(O)c(O)c1 ZINC001182157170 771423070 /nfs/dbraw/zinc/42/30/70/771423070.db2.gz JTBRSSXTNHTLPH-LBPRGKRZSA-N 1 2 308.378 0.867 20 10 DCCDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCc1ccc(O)c(O)c1 ZINC001182157170 771423074 /nfs/dbraw/zinc/42/30/74/771423074.db2.gz JTBRSSXTNHTLPH-LBPRGKRZSA-N 1 2 308.378 0.867 20 10 DCCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001161129827 772172404 /nfs/dbraw/zinc/17/24/04/772172404.db2.gz FLDSBZZMFHVRAU-ZDUSSCGKSA-N 1 2 317.397 0.184 20 10 DCCDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2O)CCN1C(C)=O ZINC001203601986 772915419 /nfs/dbraw/zinc/91/54/19/772915419.db2.gz VJQIMQKJBXQIRW-CYBMUJFWSA-N 1 2 322.361 0.607 20 10 DCCDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(OC)c2O)CCN1C(C)=O ZINC001203601986 772915422 /nfs/dbraw/zinc/91/54/22/772915422.db2.gz VJQIMQKJBXQIRW-CYBMUJFWSA-N 1 2 322.361 0.607 20 10 DCCDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCc3ccc(O)c(O)c3)C[C@@H]21 ZINC001271832630 941461901 /nfs/dbraw/zinc/46/19/01/941461901.db2.gz AVUBEDXTIUWKSP-WFASDCNBSA-N 1 2 306.362 0.572 20 10 DCCDLO C[N@H+]1CCO[C@H]2CN(C(=O)CCc3ccc(O)c(O)c3)C[C@@H]21 ZINC001271832630 941461903 /nfs/dbraw/zinc/46/19/03/941461903.db2.gz AVUBEDXTIUWKSP-WFASDCNBSA-N 1 2 306.362 0.572 20 10 DCCDLO CCOCCN1CC2(C[NH+](Cc3ccccc3O)C2)OCC1=O ZINC001272618845 942871168 /nfs/dbraw/zinc/87/11/68/942871168.db2.gz PCWWYRRBQVPDIH-UHFFFAOYSA-N 1 2 320.389 0.842 20 10 DCCDLO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(O)c(O)c1Cl ZINC001276527039 944198676 /nfs/dbraw/zinc/19/86/76/944198676.db2.gz BNGMXUJXZSXSNZ-DTORHVGOSA-N 1 2 312.753 0.906 20 10 DCCDLO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(O)c(O)c1Cl ZINC001276527039 944198681 /nfs/dbraw/zinc/19/86/81/944198681.db2.gz BNGMXUJXZSXSNZ-DTORHVGOSA-N 1 2 312.753 0.906 20 10 DCCDLO O=C1COCC2(C[NH+](Cc3c(O)cccc3F)C2)N1C1COC1 ZINC001273266203 946370175 /nfs/dbraw/zinc/37/01/75/946370175.db2.gz SHRZILUEPVTBIV-UHFFFAOYSA-N 1 2 322.336 0.343 20 10 DCCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001322220087 946617166 /nfs/dbraw/zinc/61/71/66/946617166.db2.gz XKDKAZYKHORLMI-LBPRGKRZSA-N 1 2 316.361 0.752 20 10 DCCDLO Nc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC001334774038 952391885 /nfs/dbraw/zinc/39/18/85/952391885.db2.gz CQQXLNBMMSZGRE-UHFFFAOYSA-N 1 2 316.405 0.535 20 10 DCCDLO C[C@H](NC(=O)NCc1c(O)cccc1F)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346768833 953957155 /nfs/dbraw/zinc/95/71/55/953957155.db2.gz ZWAUOALATXAJBM-FZMZJTMJSA-N 1 2 324.400 0.965 20 10 DCCDLO C[C@H](NC(=O)NCc1c(O)cccc1F)[C@@H]1CN(C)CC[N@H+]1C ZINC001346768833 953957163 /nfs/dbraw/zinc/95/71/63/953957163.db2.gz ZWAUOALATXAJBM-FZMZJTMJSA-N 1 2 324.400 0.965 20 10 DCCDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cc(OC)ccc1O ZINC000271716342 395871058 /nfs/dbraw/zinc/87/10/58/395871058.db2.gz CHEKDQLPZIDLES-LBPRGKRZSA-N 1 2 308.334 0.264 20 10 DCCDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000271716342 395871059 /nfs/dbraw/zinc/87/10/59/395871059.db2.gz CHEKDQLPZIDLES-LBPRGKRZSA-N 1 2 308.334 0.264 20 10 DCCDLO CN(C)c1[nH+]cc(CNC(=O)c2c(F)ccc(O)c2O)n1C ZINC000295291654 396690255 /nfs/dbraw/zinc/69/02/55/396690255.db2.gz QGVZWPPBYMSARB-UHFFFAOYSA-N 1 2 308.313 0.966 20 10 DCCDLO COc1cccc(CNC(=O)NCC[NH+]2CCOCC2)c1O ZINC000265760516 525984580 /nfs/dbraw/zinc/98/45/80/525984580.db2.gz FZVWMVGKMISBFN-UHFFFAOYSA-N 1 2 309.366 0.532 20 10 DCCDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839471366 667748965 /nfs/dbraw/zinc/74/89/65/667748965.db2.gz MQKHVXYRXLBPKB-HNNXBMFYSA-N 1 2 318.421 0.579 20 10 DCCDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839471366 667748966 /nfs/dbraw/zinc/74/89/66/667748966.db2.gz MQKHVXYRXLBPKB-HNNXBMFYSA-N 1 2 318.421 0.579 20 10 DCCDLO C[NH+](C)CCN1CCN(Cc2ccc(F)c(F)c2O)CC1=O ZINC000877611690 668633382 /nfs/dbraw/zinc/63/33/82/668633382.db2.gz XZVKTSAGYOTVSR-UHFFFAOYSA-N 1 2 313.348 0.876 20 10 DCCDLO O=C1NCCn2c(C[NH2+]Cc3c(O)cccc3Cl)nnc21 ZINC000883295066 669667486 /nfs/dbraw/zinc/66/74/86/669667486.db2.gz VOKSJEYNFAKLEY-UHFFFAOYSA-N 1 2 307.741 0.670 20 10 DCCDLO CN(C)c1ccc(C[NH2+]Cc2nnc3n2CCNC3=O)cc1 ZINC000883295644 669667899 /nfs/dbraw/zinc/66/78/99/669667899.db2.gz OBIOYIGIIYSLDZ-UHFFFAOYSA-N 1 2 300.366 0.377 20 10 DCCDLO O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000854352877 670552649 /nfs/dbraw/zinc/55/26/49/670552649.db2.gz MBBPXMGYNKBDPT-MFBWXBCUSA-N 1 2 317.389 0.617 20 10 DCCDLO O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000854352877 670552651 /nfs/dbraw/zinc/55/26/51/670552651.db2.gz MBBPXMGYNKBDPT-MFBWXBCUSA-N 1 2 317.389 0.617 20 10 DCCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[NH2+]CC1=O ZINC000843488121 672103758 /nfs/dbraw/zinc/10/37/58/672103758.db2.gz QZPCRTIRMXUNET-UHFFFAOYSA-N 1 2 318.421 0.533 20 10 DCCDLO CC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001590471799 1166917893 /nfs/dbraw/zinc/91/78/93/1166917893.db2.gz NWSXSBJNFFHKSH-SBMIAAHKSA-N 1 2 316.365 0.877 20 10 DCCDLO CC[C@H]([NH2+][C@H](C)CC(N)=O)c1cccc(-c2nn[nH]n2)c1O ZINC001604057065 1169482256 /nfs/dbraw/zinc/48/22/56/1169482256.db2.gz ZQAIVPQHHCUCGM-KCJUWKMLSA-N 1 2 304.354 0.877 20 10 DCCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001139126703 768456009 /nfs/dbraw/zinc/45/60/09/768456009.db2.gz NFADGFFLJALDTE-NHYWBVRUSA-N 1 2 319.357 0.982 20 10 DCCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001139126703 768456017 /nfs/dbraw/zinc/45/60/17/768456017.db2.gz NFADGFFLJALDTE-NHYWBVRUSA-N 1 2 319.357 0.982 20 10 DCCDLO CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001274836960 951851282 /nfs/dbraw/zinc/85/12/82/951851282.db2.gz QQYDVNQJNWHKIU-INIZCTEOSA-N 1 2 322.361 0.484 20 10 DCCDLO CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001274836960 951851289 /nfs/dbraw/zinc/85/12/89/951851289.db2.gz QQYDVNQJNWHKIU-INIZCTEOSA-N 1 2 322.361 0.484 20 10 DCCDLO C[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[NH+]1CCN(C)CC1 ZINC000273170083 130094165 /nfs/dbraw/zinc/09/41/65/130094165.db2.gz MHAUQYZROIOILV-QWHCGFSZSA-N 1 2 321.421 0.781 20 10 DCCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCOC[C@@H]1C)cc2=O ZINC000052608765 395866758 /nfs/dbraw/zinc/86/67/58/395866758.db2.gz ZMNGZMCHPJKASU-JTQLQIEISA-N 1 2 320.349 0.832 20 10 DCCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCOC[C@@H]1C)cc2=O ZINC000052608765 395866761 /nfs/dbraw/zinc/86/67/61/395866761.db2.gz ZMNGZMCHPJKASU-JTQLQIEISA-N 1 2 320.349 0.832 20 10 DCCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000276648191 396018076 /nfs/dbraw/zinc/01/80/76/396018076.db2.gz RQTZKPYZLMMNBJ-WDEREUQCSA-N 1 2 311.334 0.518 20 10 DCCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000276648191 396018079 /nfs/dbraw/zinc/01/80/79/396018079.db2.gz RQTZKPYZLMMNBJ-WDEREUQCSA-N 1 2 311.334 0.518 20 10 DCCDLO COc1c(O)c(C[N@H+](C)CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278281728 396116376 /nfs/dbraw/zinc/11/63/76/396116376.db2.gz TVGYCBDNSOVNAP-UHFFFAOYSA-N 1 2 318.351 0.785 20 10 DCCDLO COc1c(O)c(C[N@@H+](C)CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278281728 396116380 /nfs/dbraw/zinc/11/63/80/396116380.db2.gz TVGYCBDNSOVNAP-UHFFFAOYSA-N 1 2 318.351 0.785 20 10 DCCDLO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(O)c1O ZINC000364704474 397237085 /nfs/dbraw/zinc/23/70/85/397237085.db2.gz KSPONSIVOBELJK-LBPRGKRZSA-N 1 2 306.362 0.953 20 10 DCCDLO C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](C)[N@H+]1CCO ZINC000839781928 668142167 /nfs/dbraw/zinc/14/21/67/668142167.db2.gz CITOCVHTJNHWFA-AOOOYVTPSA-N 1 2 312.341 0.764 20 10 DCCDLO C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](C)[N@@H+]1CCO ZINC000839781928 668142169 /nfs/dbraw/zinc/14/21/69/668142169.db2.gz CITOCVHTJNHWFA-AOOOYVTPSA-N 1 2 312.341 0.764 20 10 DCCDLO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)c1 ZINC000876878751 668525874 /nfs/dbraw/zinc/52/58/74/668525874.db2.gz JYQJGOXFJYRYTG-GHMZBOCLSA-N 1 2 321.377 0.398 20 10 DCCDLO O=C(CN1CC[NH2+]CC1=O)NCc1ccc(N2CCCC2)cc1 ZINC000827004131 671510163 /nfs/dbraw/zinc/51/01/63/671510163.db2.gz ALHXZJBKZOXBLC-UHFFFAOYSA-N 1 2 316.405 0.335 20 10 DCCDLO CC[NH+]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000842243179 671999663 /nfs/dbraw/zinc/99/96/63/671999663.db2.gz XHFBGORKHFVJEJ-UHFFFAOYSA-N 1 2 304.394 0.092 20 10 DCCDLO CC[C@H]([NH2+]C[C@H](O)COC)c1cccc(-c2nn[nH]n2)c1O ZINC001590464926 1166917414 /nfs/dbraw/zinc/91/74/14/1166917414.db2.gz BPFHBPPQUWDSCC-CABZTGNLSA-N 1 2 307.354 0.620 20 10 DCCDLO CC[C@H]([NH2+]CC1(CO)COC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590462407 1166917961 /nfs/dbraw/zinc/91/79/61/1166917961.db2.gz CDKRSLOZBYDQFQ-LBPRGKRZSA-N 1 2 319.365 0.622 20 10 DCCDLO CO[C@@](C)(CO)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591318923 1167212425 /nfs/dbraw/zinc/21/24/25/1167212425.db2.gz OTCBICPUOBMZQA-YMTOWFKASA-N 1 2 307.354 0.620 20 10 DCCDLO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604872686 1169722098 /nfs/dbraw/zinc/72/20/98/1169722098.db2.gz SPOGGJNYTSNWRH-VIFPVBQESA-N 1 2 318.381 0.995 20 10 DCCDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001659633615 1173934244 /nfs/dbraw/zinc/93/42/44/1173934244.db2.gz QKAUXFJSRITALI-ZYHUDNBSSA-N 1 2 307.318 0.572 20 10 DCCDLO O=c1[nH]ccn2c(C[NH2+]Cc3cc(F)c(F)cc3O)nnc12 ZINC001665682892 1174551693 /nfs/dbraw/zinc/55/16/93/1174551693.db2.gz LMHMDFLZPPYJAP-UHFFFAOYSA-N 1 2 307.260 0.691 20 10 DCCDLO COC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144509868 766964852 /nfs/dbraw/zinc/96/48/52/766964852.db2.gz MRPJCKMXNSQCJN-GFCCVEGCSA-N 1 2 320.349 0.678 20 10 DCCDLO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509868 766964854 /nfs/dbraw/zinc/96/48/54/766964854.db2.gz MRPJCKMXNSQCJN-GFCCVEGCSA-N 1 2 320.349 0.678 20 10 DCCDLO Oc1cc(O)c(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)cc1O ZINC001233482797 769368901 /nfs/dbraw/zinc/36/89/01/769368901.db2.gz CFGXAXNLWCEOGH-GFCCVEGCSA-N 1 2 323.267 0.929 20 10 DCCDLO Oc1cc(O)c(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)cc1O ZINC001233482797 769368911 /nfs/dbraw/zinc/36/89/11/769368911.db2.gz CFGXAXNLWCEOGH-GFCCVEGCSA-N 1 2 323.267 0.929 20 10 DCCDLO COC(=O)Cc1ccc(C[N@@H+]2CCO[C@@H](C(C)=O)C2)c(O)c1 ZINC001249218683 945624822 /nfs/dbraw/zinc/62/48/22/945624822.db2.gz ZLZVDJBDMHUBPA-OAHLLOKOSA-N 1 2 307.346 0.898 20 10 DCCDLO COC(=O)Cc1ccc(C[N@H+]2CCO[C@@H](C(C)=O)C2)c(O)c1 ZINC001249218683 945624827 /nfs/dbraw/zinc/62/48/27/945624827.db2.gz ZLZVDJBDMHUBPA-OAHLLOKOSA-N 1 2 307.346 0.898 20 10 DCCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000263842844 529780625 /nfs/dbraw/zinc/78/06/25/529780625.db2.gz LOPBSSFMNCMQTF-OAHLLOKOSA-N 1 2 318.421 0.709 20 10 DCCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000263842844 529780627 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COC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H](C)O1 ZINC000863305983 667126300 /nfs/dbraw/zinc/12/63/00/667126300.db2.gz MJSAZMWAVWDEAE-PKPZWWHKSA-N 1 2 323.345 0.580 20 10 DCCDLO COc1cc(O)c(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c(OC)c1 ZINC001141028892 1159065015 /nfs/dbraw/zinc/06/50/15/1159065015.db2.gz DSGPHHKZUFJTEG-NSHDSACASA-N 1 2 322.361 0.452 20 10 DCCDLO COc1cc(O)c(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)c(OC)c1 ZINC001141028892 1159065022 /nfs/dbraw/zinc/06/50/22/1159065022.db2.gz DSGPHHKZUFJTEG-NSHDSACASA-N 1 2 322.361 0.452 20 10 DCCDLO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978131 1166735828 /nfs/dbraw/zinc/73/58/28/1166735828.db2.gz LAAYRBLDQQBGIY-YMTOWFKASA-N 1 2 305.338 0.374 20 10 DCCDLO CC[C@@H]([NH2+]CCOCCO)c1cccc(-c2nn[nH]n2)c1O ZINC001604055856 1169483081 /nfs/dbraw/zinc/48/30/81/1169483081.db2.gz PFZYRMZXLHEDDP-GFCCVEGCSA-N 1 2 307.354 0.622 20 10 DCCDLO CC[C@@H]([NH2+]Cc1cnnn1C)c1cccc(-c2nn[nH]n2)c1O ZINC001604063069 1169484589 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10 DCCDLO COc1cc(N(C)C)ccc1C[NH+]1CC2(C1)COCC(=O)N2C ZINC001274216048 951487209 /nfs/dbraw/zinc/48/72/09/951487209.db2.gz WUFZHGMQMRJBJR-UHFFFAOYSA-N 1 2 319.405 0.804 20 10 DCCDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001470567492 1016455919 /nfs/dbraw/zinc/45/59/19/1016455919.db2.gz AKWWDWJXYGPDMA-USEMIUTHSA-N 1 2 303.318 0.694 20 10 DCCDLO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc([N+](=O)[O-])ccc1O ZINC000290298622 296126302 /nfs/dbraw/zinc/12/63/02/296126302.db2.gz YOTOVRNOSUDWSH-SECBINFHSA-N 1 2 317.367 0.842 20 10 DCCDLO CN(C)c1ccc(CNC(=O)C[N@H+](CC(N)=O)C(C)(C)C)cc1 ZINC000298029824 132044873 /nfs/dbraw/zinc/04/48/73/132044873.db2.gz BPQOKRSWPVYUHE-UHFFFAOYSA-N 1 2 320.437 0.955 20 10 DCCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](CC(N)=O)C(C)(C)C)cc1 ZINC000298029824 132044875 /nfs/dbraw/zinc/04/48/75/132044875.db2.gz BPQOKRSWPVYUHE-UHFFFAOYSA-N 1 2 320.437 0.955 20 10 DCCDLO COc1ccc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)cc1 ZINC000058127002 395951949 /nfs/dbraw/zinc/95/19/49/395951949.db2.gz NZISTGVFZYEECY-UHFFFAOYSA-N 1 2 319.405 0.676 20 10 DCCDLO COc1c(O)c(CN2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000278304984 396118008 /nfs/dbraw/zinc/11/80/08/396118008.db2.gz WGPUBYRXEGSJLE-UHFFFAOYSA-N 1 2 311.338 0.419 20 10 DCCDLO COc1c(O)c(C[NH+]2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000278304984 396118010 /nfs/dbraw/zinc/11/80/10/396118010.db2.gz WGPUBYRXEGSJLE-UHFFFAOYSA-N 1 2 311.338 0.419 20 10 DCCDLO COc1c(O)c(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000278847169 396140188 /nfs/dbraw/zinc/14/01/88/396140188.db2.gz KTHXYPHLXGJBLY-JTQLQIEISA-N 1 2 322.321 0.518 20 10 DCCDLO COc1c(O)c(C[N@H+]2CCN3C(=O)NC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000278847169 396140191 /nfs/dbraw/zinc/14/01/91/396140191.db2.gz KTHXYPHLXGJBLY-JTQLQIEISA-N 1 2 322.321 0.518 20 10 DCCDLO CNC(=O)NC[C@H]1C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000862459125 667045219 /nfs/dbraw/zinc/04/52/19/667045219.db2.gz NBAUWAXQPTYQQH-NSHDSACASA-N 1 2 309.366 0.531 20 10 DCCDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000862459125 667045222 /nfs/dbraw/zinc/04/52/22/667045222.db2.gz NBAUWAXQPTYQQH-NSHDSACASA-N 1 2 309.366 0.531 20 10 DCCDLO O=C(/C=C/C[NH+]1CCOCC1)NCCc1ccc(O)c(O)c1 ZINC000866757173 667394314 /nfs/dbraw/zinc/39/43/14/667394314.db2.gz LKLCERDGBZWZFF-OWOJBTEDSA-N 1 2 306.362 0.645 20 10 DCCDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708495514 667444162 /nfs/dbraw/zinc/44/41/62/667444162.db2.gz DBIAXISGLBAUKB-WDEREUQCSA-N 1 2 307.318 0.572 20 10 DCCDLO COC(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768439009 668608707 /nfs/dbraw/zinc/60/87/07/668608707.db2.gz DBFHZNXGSWEEGB-CYBMUJFWSA-N 1 2 308.334 0.702 20 10 DCCDLO C[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(N(C)C)cc1 ZINC000883303226 669668593 /nfs/dbraw/zinc/66/85/93/669668593.db2.gz RVMDAGJXFYGBDR-LLVKDONJSA-N 1 2 314.393 0.938 20 10 DCCDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000859491391 671118255 /nfs/dbraw/zinc/11/82/55/671118255.db2.gz AVHZKSDQMYCJGD-OAHLLOKOSA-N 1 2 306.410 0.882 20 10 DCCDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000859491391 671118258 /nfs/dbraw/zinc/11/82/58/671118258.db2.gz AVHZKSDQMYCJGD-OAHLLOKOSA-N 1 2 306.410 0.882 20 10 DCCDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841058689 671911735 /nfs/dbraw/zinc/91/17/35/671911735.db2.gz QXGYVWYADOWXSI-UHFFFAOYSA-N 1 2 320.393 0.388 20 10 DCCDLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589951295 1166727619 /nfs/dbraw/zinc/72/76/19/1166727619.db2.gz AVEOMFBQPLQDGB-DTWKUNHWSA-N 1 2 302.338 0.454 20 10 DCCDLO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589961276 1166730636 /nfs/dbraw/zinc/73/06/36/1166730636.db2.gz LFVHFJQJABQZNG-BMIGLBTASA-N 1 2 319.365 0.764 20 10 DCCDLO C[C@H]([NH2+]CCS(C)(=O)=O)c1cccc(-c2nn[nH]n2)c1O ZINC001589964722 1166733080 /nfs/dbraw/zinc/73/30/80/1166733080.db2.gz YOOXSTXTYWJKOA-QMMMGPOBSA-N 1 2 311.367 0.268 20 10 DCCDLO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591371711 1167243690 /nfs/dbraw/zinc/24/36/90/1167243690.db2.gz ZJFFLAQXOUTYHQ-XPTSAGLGSA-N 1 2 307.354 0.620 20 10 DCCDLO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cccc(-c2nn[nH]n2)c1O ZINC001603657623 1169344585 /nfs/dbraw/zinc/34/45/85/1169344585.db2.gz ORCYHBYAQAHQFP-VHSXEESVSA-N 1 2 316.365 0.749 20 10 DCCDLO OCc1n[nH]c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC001658198702 1173920750 /nfs/dbraw/zinc/92/07/50/1173920750.db2.gz VBRBFLHZTPXKHE-UHFFFAOYSA-N 1 2 303.366 0.423 20 10 DCCDLO