smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccn1 ZINC000054174598 362516169 /nfs/dbraw/zinc/51/61/69/362516169.db2.gz DCNUBKBPJQRTOO-UHFFFAOYSA-N 1 0 283.375 2.372 50 10 CECARO Cc1cc(O)c(C[NH+]2CCN(c3ncccn3)CC2)cc1C ZINC000023673134 361602201 /nfs/dbraw/zinc/60/22/01/361602201.db2.gz MFMHACJNPBMFTN-UHFFFAOYSA-N 1 0 298.390 2.121 50 10 CECARO c1cc2c(cc1C[NH2+][C@@H]1CN3CCC1CC3)CCCO2 ZINC000534580342 328311617 /nfs/dbraw/zinc/31/16/17/328311617.db2.gz JFCQWALMBXSLIJ-MRXNPFEDSA-N 1 0 272.392 2.195 50 10 CECARO CN(C)c1ccc(C[N@H+](C)C2CCN(C)CC2)cc1 ZINC000000201102 361144825 /nfs/dbraw/zinc/14/48/25/361144825.db2.gz PALROEMTEXFBIR-UHFFFAOYSA-N 1 0 261.413 2.279 50 10 CECARO Cn1cncc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000237130654 370692725 /nfs/dbraw/zinc/69/27/25/370692725.db2.gz GYKUSAWKKCFFLV-UHFFFAOYSA-N 1 0 270.380 2.092 50 10 CECARO CN(C)c1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1 ZINC000095468657 364388727 /nfs/dbraw/zinc/38/87/27/364388727.db2.gz UGBKCVXNLONSFL-UHFFFAOYSA-N 1 0 258.369 2.118 50 10 CECARO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000225614380 344546657 /nfs/dbraw/zinc/54/66/57/344546657.db2.gz LZBYHXMNTYBGNE-MNOVXSKESA-N 1 0 253.317 2.124 50 10 CECARO OC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCCC1 ZINC000058161930 362609662 /nfs/dbraw/zinc/60/96/62/362609662.db2.gz TVWWRRGMMVVBNI-UHFFFAOYSA-N 1 0 261.365 2.406 50 10 CECARO CC[N@H+](CCn1cccn1)Cc1cc(F)ccc1O ZINC000067675723 362918295 /nfs/dbraw/zinc/91/82/95/362918295.db2.gz QYWCWBDHHQOZCM-UHFFFAOYSA-N 1 0 263.316 2.250 50 10 CECARO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H](O)C1 ZINC000023281340 361597396 /nfs/dbraw/zinc/59/73/96/361597396.db2.gz IOCNLYSHILJJEQ-NSHDSACASA-N 1 0 286.169 2.111 50 10 CECARO CCOCCC[NH2+]Cc1cc(-c2cnccn2)ccc1O ZINC000299765661 379131444 /nfs/dbraw/zinc/13/14/44/379131444.db2.gz BMXQKAXGPPSNMA-UHFFFAOYSA-N 1 0 287.363 2.365 50 10 CECARO CCN(CC)c1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000004980807 170048563 /nfs/dbraw/zinc/04/85/63/170048563.db2.gz ZYUZBACJPKFZJI-UHFFFAOYSA-N 1 0 262.397 2.490 50 10 CECARO CC(C)OCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000069460401 362971211 /nfs/dbraw/zinc/97/12/11/362971211.db2.gz MMSFSLKZHMBXJB-UHFFFAOYSA-N 1 0 292.423 2.380 50 10 CECARO CC[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccccc1O ZINC000156203194 188248901 /nfs/dbraw/zinc/24/89/01/188248901.db2.gz YYGCFTIOPQMEHV-OCCSQVGLSA-N 1 0 267.394 2.301 50 10 CECARO CC(C)CNC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000004725476 628668319 /nfs/dbraw/zinc/66/83/19/628668319.db2.gz AYMZDIFTCINUMI-UHFFFAOYSA-N 1 0 290.407 2.376 50 10 CECARO [NH3+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000032625222 361748103 /nfs/dbraw/zinc/74/81/03/361748103.db2.gz COWJRZUKFFPOFA-UHFFFAOYSA-N 1 0 260.259 2.001 50 10 CECARO CC(C)NC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000006364684 343356557 /nfs/dbraw/zinc/35/65/57/343356557.db2.gz IRVKEDYCQCMVIJ-UHFFFAOYSA-N 1 0 276.380 2.129 50 10 CECARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2c1ccc(O)c(O)c1 ZINC000062001420 362701821 /nfs/dbraw/zinc/70/18/21/362701821.db2.gz GYQMBGLYRVEOLL-NVXWUHKLSA-N 1 0 296.326 2.022 50 10 CECARO COc1cccc(O)c1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000067713087 362919620 /nfs/dbraw/zinc/91/96/20/362919620.db2.gz RFMHICLLNJFUJL-KRWDZBQOSA-N 1 0 290.407 2.319 50 10 CECARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000004575463 361322087 /nfs/dbraw/zinc/32/20/87/361322087.db2.gz MNYDLODUPHUFAU-ZDUSSCGKSA-N 1 0 293.363 2.176 50 10 CECARO CCO[C@H]1C[C@](O)(C[NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000188053637 395309256 /nfs/dbraw/zinc/30/92/56/395309256.db2.gz LMKCZIOMDZTAGA-HOCLYGCPSA-N 1 0 297.370 2.187 50 10 CECARO COc1cc([C@H]2[NH2+]CCc3cc(O)c(O)cc32)ccc1O ZINC000019691253 277389002 /nfs/dbraw/zinc/38/90/02/277389002.db2.gz VFVHBGRIYWENGB-MRXNPFEDSA-N 1 0 287.315 2.047 50 10 CECARO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000225614328 344546456 /nfs/dbraw/zinc/54/64/56/344546456.db2.gz LZBYHXMNTYBGNE-GHMZBOCLSA-N 1 0 253.317 2.124 50 10 CECARO Cc1cnn(C[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000069490111 362972260 /nfs/dbraw/zinc/97/22/60/362972260.db2.gz OUKZSPUELZTYBJ-CYBMUJFWSA-N 1 0 271.364 2.305 50 10 CECARO COc1ccc(C[NH2+]CCc2cccc(C(N)=O)c2)cc1C ZINC000078553625 177353904 /nfs/dbraw/zinc/35/39/04/177353904.db2.gz JSEUMSHQENDJKJ-UHFFFAOYSA-N 1 0 298.386 2.435 50 10 CECARO CC[C@@H]([NH2+]C[C@@](C)(O)c1cnn(C)c1)c1ccccc1O ZINC000155994162 529177360 /nfs/dbraw/zinc/17/73/60/529177360.db2.gz CZWSEWSOBLHEIY-GDBMZVCRSA-N 1 0 289.379 2.074 50 10 CECARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1ccc(O)c(O)c1 ZINC000062001422 362701638 /nfs/dbraw/zinc/70/16/38/362701638.db2.gz GYQMBGLYRVEOLL-DOTOQJQBSA-N 1 0 296.326 2.022 50 10 CECARO Oc1ccc(CC[NH2+]Cc2ccc3c(c2)OCO3)cc1O ZINC000001767542 361222535 /nfs/dbraw/zinc/22/25/35/361222535.db2.gz FCXOEWXFVFILOY-UHFFFAOYSA-N 1 0 287.315 2.159 50 10 CECARO COc1cccc(C[NH2+]CCc2ccccn2)c1O ZINC000019916609 361567025 /nfs/dbraw/zinc/56/70/25/361567025.db2.gz QRMQSWRXUQGQRZ-UHFFFAOYSA-N 1 0 258.321 2.128 50 10 CECARO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188414583 369353210 /nfs/dbraw/zinc/35/32/10/369353210.db2.gz VEWVZSFUBQHSAY-AWEZNQCLSA-N 1 0 275.327 2.392 50 10 CECARO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000048621600 400202497 /nfs/dbraw/zinc/20/24/97/400202497.db2.gz ZWNNKDPXWCYMES-OAHLLOKOSA-N 1 0 276.380 2.110 50 10 CECARO Oc1cccc2c1C[N@@H+](Cc1ccccc1)C[C@H]2O ZINC000039270723 174167863 /nfs/dbraw/zinc/16/78/63/174167863.db2.gz ZBEQVCYVRVMPSY-MRXNPFEDSA-N 1 0 255.317 2.441 50 10 CECARO CC[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccccc1O ZINC000186294005 344509859 /nfs/dbraw/zinc/50/98/59/344509859.db2.gz OPCWXSJZFACPPP-CQSZACIVSA-N 1 0 279.380 2.222 50 10 CECARO CC[N@@H+](Cc1cccc(OC)c1O)C[C@@H]1CCCO1 ZINC000065506296 362828759 /nfs/dbraw/zinc/82/87/59/362828759.db2.gz NAGKYDBJLHGZGC-ZDUSSCGKSA-N 1 0 265.353 2.402 50 10 CECARO CN(C)c1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000000294060 361158122 /nfs/dbraw/zinc/15/81/22/361158122.db2.gz AJBLQZYNKAYJBV-UHFFFAOYSA-N 1 0 296.418 2.470 50 10 CECARO C[n+]1ccccc1/C=C1\Sc2ccccc2N1CCO ZINC000000188599 361142828 /nfs/dbraw/zinc/14/28/28/361142828.db2.gz VHMYRIWZTCFOPT-UHFFFAOYSA-N 1 0 285.392 2.414 50 10 CECARO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000000757165 361191430 /nfs/dbraw/zinc/19/14/30/361191430.db2.gz CYLAPGBHXFLGTO-INIZCTEOSA-N 1 0 262.397 2.490 50 10 CECARO CN(C)c1ccc(C[NH2+]CCCn2ccnc2)cc1 ZINC000002510441 361236348 /nfs/dbraw/zinc/23/63/48/361236348.db2.gz OSEDJPOHDZBVRI-UHFFFAOYSA-N 1 0 258.369 2.129 50 10 CECARO CN1CCc2cc(C[NH2+][C@H]3CCCC[C@H]3O)ccc21 ZINC000250371737 371383624 /nfs/dbraw/zinc/38/36/24/371383624.db2.gz IZLBRRQLSXLIPW-GOEBONIOSA-N 1 0 260.381 2.072 50 10 CECARO CC1=NN(c2ccccc2)C(=S)/C1=C\NCC[NH+](C)C ZINC000109083494 400270075 /nfs/dbraw/zinc/27/00/75/400270075.db2.gz DAEZZIVKEAAEJZ-KAMYIIQDSA-N 1 0 288.420 2.245 50 10 CECARO COCC[NH2+]Cc1cc(-c2nc(C)cnc2C)ccc1O ZINC000011966721 170463459 /nfs/dbraw/zinc/46/34/59/170463459.db2.gz AWCYFKADRKMHBN-UHFFFAOYSA-N 1 0 287.363 2.202 50 10 CECARO COC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000071904915 363119779 /nfs/dbraw/zinc/11/97/79/363119779.db2.gz ZBCSCUAEXNPBCN-UHFFFAOYSA-N 1 0 263.337 2.310 50 10 CECARO CC[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccccc1O ZINC000156203071 188248343 /nfs/dbraw/zinc/24/83/43/188248343.db2.gz YYGCFTIOPQMEHV-JSGCOSHPSA-N 1 0 267.394 2.301 50 10 CECARO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000000214412 361147631 /nfs/dbraw/zinc/14/76/31/361147631.db2.gz LBMJJLYYURHYGP-OAHLLOKOSA-N 1 0 289.423 2.230 50 10 CECARO Cc1ccc(/C=C2\SC(=S)N(CC[NH+](C)C)C2=O)o1 ZINC000096935938 185133047 /nfs/dbraw/zinc/13/30/47/185133047.db2.gz CTUBLZSBKVZKCC-FLIBITNWSA-N 1 0 296.417 2.351 50 10 CECARO COc1ccc(C[NH2+]C2CCN(C(C)=O)CC2)cc1C ZINC000035052747 343421273 /nfs/dbraw/zinc/42/12/73/343421273.db2.gz QTGZHZSXLOOGGI-UHFFFAOYSA-N 1 0 276.380 2.104 50 10 CECARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccc(N)cc1 ZINC000000262190 361153850 /nfs/dbraw/zinc/15/38/50/361153850.db2.gz LHLQAMIOXPCYGU-VNHYZAJKSA-N 1 0 278.396 2.271 50 10 CECARO CC(C)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000078553037 177353382 /nfs/dbraw/zinc/35/33/82/177353382.db2.gz YZBKJSFJQSXOIA-OAHLLOKOSA-N 1 0 260.381 2.194 50 10 CECARO CC[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1ccccc1O ZINC000119149096 365224155 /nfs/dbraw/zinc/22/41/55/365224155.db2.gz DCNMRLJQSDQHED-QAGHZCBJSA-N 1 0 255.383 2.200 50 10 CECARO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000065489033 362826405 /nfs/dbraw/zinc/82/64/05/362826405.db2.gz WZYOWKWTWHHXCE-MRXNPFEDSA-N 1 0 299.370 2.453 50 10 CECARO CCOC(=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000000819191 361193538 /nfs/dbraw/zinc/19/35/38/361193538.db2.gz KMGWVZBXVGLKKR-UHFFFAOYSA-N 1 0 293.363 2.176 50 10 CECARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000004590265 361322762 /nfs/dbraw/zinc/32/27/62/361322762.db2.gz QUFAWTYLYGFDOF-ZDUSSCGKSA-N 1 0 263.337 2.167 50 10 CECARO CCO[C@H]1C[C@@](O)(C[NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000188053682 395309365 /nfs/dbraw/zinc/30/93/65/395309365.db2.gz LMKCZIOMDZTAGA-GOEBONIOSA-N 1 0 297.370 2.187 50 10 CECARO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000048621598 400202341 /nfs/dbraw/zinc/20/23/41/400202341.db2.gz ZWNNKDPXWCYMES-HNNXBMFYSA-N 1 0 276.380 2.110 50 10 CECARO O=c1cc(C[NH+]2CCCCC2)c2cc(O)c(O)cc2o1 ZINC000002122944 361228067 /nfs/dbraw/zinc/22/80/67/361228067.db2.gz MIBJVUQJZUZBOP-UHFFFAOYSA-N 1 0 275.304 2.190 50 10 CECARO COc1ccc(N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000006476233 361336540 /nfs/dbraw/zinc/33/65/40/361336540.db2.gz BEZXRDIQDCEGBB-UHFFFAOYSA-N 1 0 297.402 2.455 50 10 CECARO OC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2cnccn2)ccc1O ZINC000011841090 361366238 /nfs/dbraw/zinc/36/62/38/361366238.db2.gz PEHQDJTXZUAZAZ-HNNXBMFYSA-N 1 0 299.374 2.196 50 10 CECARO OCc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000222110383 370250730 /nfs/dbraw/zinc/25/07/30/370250730.db2.gz MDEOGHDKPJINTG-UHFFFAOYSA-N 1 0 269.344 2.404 50 10 CECARO CC[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccccc1O ZINC000156202958 188248356 /nfs/dbraw/zinc/24/83/56/188248356.db2.gz YYGCFTIOPQMEHV-TZMCWYRMSA-N 1 0 267.394 2.301 50 10 CECARO O=C(C1CC[NH+](Cc2ccccc2O)CC1)N1CCCC1 ZINC000022241846 171382142 /nfs/dbraw/zinc/38/21/42/171382142.db2.gz TZIJVUIDWKCZBC-UHFFFAOYSA-N 1 0 288.391 2.227 50 10 CECARO CCN(CC)c1ccc(C[NH2+]CCCCO)cc1 ZINC000040744125 174391348 /nfs/dbraw/zinc/39/13/48/174391348.db2.gz FZRGSNRISDYKOR-UHFFFAOYSA-N 1 0 250.386 2.395 50 10 CECARO O=C1[C@@H]([NH2+]Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000078394187 177337022 /nfs/dbraw/zinc/33/70/22/177337022.db2.gz HCTXLPGSPZILRM-INIZCTEOSA-N 1 0 296.370 2.283 50 10 CECARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccc(N)cc1 ZINC000003896359 361293639 /nfs/dbraw/zinc/29/36/39/361293639.db2.gz LHLQAMIOXPCYGU-NFAWXSAZSA-N 1 0 278.396 2.271 50 10 CECARO COc1cccc(C[N@H+](CCO)Cc2ccccc2)c1O ZINC000023017496 361591939 /nfs/dbraw/zinc/59/19/39/361591939.db2.gz DMTNLTIVQZVMPS-UHFFFAOYSA-N 1 0 287.359 2.395 50 10 CECARO CCOC(=O)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000045688376 362165196 /nfs/dbraw/zinc/16/51/96/362165196.db2.gz KCIBQXONKHMNQB-UHFFFAOYSA-N 1 0 251.326 2.046 50 10 CECARO CC[NH+]1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000019633596 361545629 /nfs/dbraw/zinc/54/56/29/361545629.db2.gz ODMFTOZHMMQCGJ-AATRIKPKSA-N 1 0 273.424 2.403 50 10 CECARO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188414553 369352621 /nfs/dbraw/zinc/35/26/21/369352621.db2.gz VEWVZSFUBQHSAY-CQSZACIVSA-N 1 0 275.327 2.392 50 10 CECARO CN1c2ccccc2SC1=Cc1cccc[n+]1CCO ZINC000003639805 169905248 /nfs/dbraw/zinc/90/52/48/169905248.db2.gz LJXKUMLQMMBFLH-UHFFFAOYSA-N 1 0 285.392 2.445 50 10 CECARO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000023281935 625620790 /nfs/dbraw/zinc/62/07/90/625620790.db2.gz CDLRPPSSZILQDG-LLCTXKFZSA-N 1 0 274.408 2.470 50 10 CECARO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000154779731 188161434 /nfs/dbraw/zinc/16/14/34/188161434.db2.gz WSQQFKVPCZVRKK-OAHLLOKOSA-N 1 0 275.323 2.225 50 10 CECARO CC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000095978517 364396195 /nfs/dbraw/zinc/39/61/95/364396195.db2.gz GFRJFFPKRSLIPZ-INIZCTEOSA-N 1 0 289.423 2.373 50 10 CECARO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000023281696 625621089 /nfs/dbraw/zinc/62/10/89/625621089.db2.gz PMTNCRHDKNOHNZ-LLCTXKFZSA-N 1 0 260.381 2.223 50 10 CECARO CCN(CC)c1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)c(O)c1 ZINC000065376496 811099920 /nfs/dbraw/zinc/09/99/20/811099920.db2.gz LXSDNXQJRDQAFN-HNNXBMFYSA-N 1 0 286.379 2.197 50 10 CECARO CCNC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccccc2O)C1 ZINC000156731894 188278921 /nfs/dbraw/zinc/27/89/21/188278921.db2.gz WIMAGYXLDZMBRB-GXTWGEPZSA-N 1 0 291.395 2.237 50 10 CECARO NC(=O)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000000032115 361119016 /nfs/dbraw/zinc/11/90/16/361119016.db2.gz QKLUPFPOWJEUQM-UHFFFAOYSA-N 1 0 284.359 2.243 50 10 CECARO COc1ccc2ccc(O)c(C[NH+]3CCOCC3)c2c1 ZINC000025605340 361630108 /nfs/dbraw/zinc/63/01/08/361630108.db2.gz LKFOPKUXZUSRDV-UHFFFAOYSA-N 1 0 273.332 2.386 50 10 CECARO CC(C)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000078553030 177353525 /nfs/dbraw/zinc/35/35/25/177353525.db2.gz YZBKJSFJQSXOIA-HNNXBMFYSA-N 1 0 260.381 2.194 50 10 CECARO CCN(CC)c1ccc([C@H]2[NH2+]CCc3nc[nH]c32)c(O)c1 ZINC000065376495 811099889 /nfs/dbraw/zinc/09/98/89/811099889.db2.gz LXSDNXQJRDQAFN-OAHLLOKOSA-N 1 0 286.379 2.197 50 10 CECARO CN(C)c1ccc(/C=C/CN2CC[NH+](C)CC2)cc1 ZINC000019632842 361545125 /nfs/dbraw/zinc/54/51/25/361545125.db2.gz QBWFDYRGVGRWMZ-SNAWJCMRSA-N 1 0 259.397 2.013 50 10 CECARO CC[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccccc1O ZINC000119148902 365224201 /nfs/dbraw/zinc/22/42/01/365224201.db2.gz DCNMRLJQSDQHED-YOIRWDDOSA-N 1 0 255.383 2.200 50 10 CECARO COCc1cc(CN[C@@H](C)c2nnc(C)[nH]2)ccc1OC ZINC000952992145 616884705 /nfs/dbraw/zinc/88/47/05/616884705.db2.gz XQCSZQMLADHXEK-JTQLQIEISA-N 1 0 290.367 2.119 50 10 CECARO C[C@H](NC(=O)C[NH+]1CCCCCC1)c1ccccc1O ZINC000952968347 815091454 /nfs/dbraw/zinc/09/14/54/815091454.db2.gz GKOXRTBCLXDICI-ZDUSSCGKSA-N 1 0 276.380 2.445 50 10 CECARO COc1cccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)c1O ZINC000022018152 343378525 /nfs/dbraw/zinc/37/85/25/343378525.db2.gz KQMPYPWFWHDARF-DUVNUKRYSA-N 1 0 277.364 2.357 50 10 CECARO Oc1cc2c(cc1C[N@@H+]1CCO[C@H]3CCCC[C@@H]31)OCO2 ZINC000054545483 362536998 /nfs/dbraw/zinc/53/69/98/362536998.db2.gz XKWKAHISKDRAAC-JSGCOSHPSA-N 1 0 291.347 2.264 50 10 CECARO CC[N@@H+](Cc1cccc(OC)c1O)C[C@H]1CCCO1 ZINC000065506298 362829051 /nfs/dbraw/zinc/82/90/51/362829051.db2.gz NAGKYDBJLHGZGC-CYBMUJFWSA-N 1 0 265.353 2.402 50 10 CECARO Cc1cccc(C[NH2+][C@@H](CO)Cc2ccccc2)c1O ZINC000154782976 188161759 /nfs/dbraw/zinc/16/17/59/188161759.db2.gz AXPNTWYDLSWJEE-MRXNPFEDSA-N 1 0 271.360 2.394 50 10 CECARO O=C1c2ccccc2C(=O)N1N[N+](=O)c1ccccc1 ZINC000225293750 370289305 /nfs/dbraw/zinc/28/93/05/370289305.db2.gz SGNPCZBECWYRIE-UHFFFAOYSA-N 1 0 268.252 2.383 50 10 CECARO CC(C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000034824087 135083429 /nfs/dbraw/zinc/08/34/29/135083429.db2.gz SZQYQTGMVQHUOR-UHFFFAOYSA-N 1 0 266.360 2.285 50 10 CECARO Oc1ccc(C[C@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1 ZINC000000896041 275060795 /nfs/dbraw/zinc/06/07/95/275060795.db2.gz WZRCQWQRFZITDX-CQSZACIVSA-N 1 0 271.316 2.233 50 10 endogenous,in-man CECARO CC(=O)N1CCC([NH2+]CCCSc2nccs2)CC1 ZINC000079053251 343971707 /nfs/dbraw/zinc/97/17/07/343971707.db2.gz MTGUOELJCNYSOH-UHFFFAOYSA-N 1 0 299.465 2.226 50 10 CECARO CCOc1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C)c1O ZINC000584904425 345004971 /nfs/dbraw/zinc/00/49/71/345004971.db2.gz WDHXEPFBIHEADJ-ZFWWWQNUSA-N 1 0 290.407 2.459 50 10 CECARO OCCn1c2ccccc2nc1-c1cccc2c1CC[NH2+]C2 ZINC000071712079 176248894 /nfs/dbraw/zinc/24/88/94/176248894.db2.gz CSZVKZBTPXXVFX-UHFFFAOYSA-N 1 0 293.370 2.341 50 10 CECARO COc1cccc(C[N@H+](Cc2cnn(C)c2)C2CC2)c1O ZINC000065501430 362828459 /nfs/dbraw/zinc/82/84/59/362828459.db2.gz WPQHSWGFRGQVHZ-UHFFFAOYSA-N 1 0 287.363 2.299 50 10 CECARO CCNC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccccc2O)C1 ZINC000156731749 188278812 /nfs/dbraw/zinc/27/88/12/188278812.db2.gz WIMAGYXLDZMBRB-JSGCOSHPSA-N 1 0 291.395 2.237 50 10 CECARO CCN(CC)c1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000000757285 361190855 /nfs/dbraw/zinc/19/08/55/361190855.db2.gz JEIXXDFAPWIRFB-UHFFFAOYSA-N 1 0 289.423 2.230 50 10 CECARO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCOC(C)(C)C2)cc1 ZINC000002101421 361227905 /nfs/dbraw/zinc/22/79/05/361227905.db2.gz DBTRIZJVKLKCRR-QGZVFWFLSA-N 1 0 292.423 2.162 50 10 CECARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccc(N)cc1 ZINC000016608857 361494339 /nfs/dbraw/zinc/49/43/39/361494339.db2.gz LHLQAMIOXPCYGU-UMVBOHGHSA-N 1 0 278.396 2.271 50 10 CECARO Oc1ccc(Br)cc1C[NH+]1CCC(O)CC1 ZINC000023281552 361597507 /nfs/dbraw/zinc/59/75/07/361597507.db2.gz QUFXZMNXECYJML-UHFFFAOYSA-N 1 0 286.169 2.111 50 10 CECARO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000225614295 344546537 /nfs/dbraw/zinc/54/65/37/344546537.db2.gz LZBYHXMNTYBGNE-WDEREUQCSA-N 1 0 253.317 2.124 50 10 CECARO c1cn2c(n1)[C@@H](C[NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000084459195 539506963 /nfs/dbraw/zinc/50/69/63/539506963.db2.gz UBQSXABKOBEKCY-OAHLLOKOSA-N 1 0 283.375 2.485 50 10 CECARO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccccc2O)C1 ZINC000156731477 188279323 /nfs/dbraw/zinc/27/93/23/188279323.db2.gz WIMAGYXLDZMBRB-OCCSQVGLSA-N 1 0 291.395 2.237 50 10 CECARO [NH3+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000019472298 170805701 /nfs/dbraw/zinc/80/57/01/170805701.db2.gz ZPAJVKGSUPURKS-SECBINFHSA-N 1 0 260.259 2.370 50 10 CECARO CC[C@@H]([NH2+]C[C@](C)(O)c1cnn(C)c1)c1ccccc1O ZINC000155993911 529180475 /nfs/dbraw/zinc/18/04/75/529180475.db2.gz CZWSEWSOBLHEIY-ZBFHGGJFSA-N 1 0 289.379 2.074 50 10 CECARO CC1=NN(c2ccccc2)C(=O)C1=CNNc1cccc[nH+]1 ZINC000015018432 361464638 /nfs/dbraw/zinc/46/46/38/361464638.db2.gz VYWUDJSKWVTYMQ-SDNWHVSQSA-N 1 0 293.330 2.305 50 10 CECARO CC[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000019633975 361547011 /nfs/dbraw/zinc/54/70/11/361547011.db2.gz VWNZPMOSPPPLOJ-UHFFFAOYSA-N 1 0 254.761 2.183 50 10 CECARO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000071837212 527486725 /nfs/dbraw/zinc/48/67/25/527486725.db2.gz YGXNOQMXZLVLQD-OAHLLOKOSA-N 1 0 296.370 2.477 50 10 CECARO C/C(C=C1C(=O)N(C)c2ccccc2N(C)C1=O)=C\[NH+](C)C ZINC000055031853 639338178 /nfs/dbraw/zinc/33/81/78/639338178.db2.gz MFJLNEOWENXGOG-VAWYXSNFSA-N 1 0 299.374 2.018 50 10 CECARO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000085334667 540130848 /nfs/dbraw/zinc/13/08/48/540130848.db2.gz ARYPKHFKGBTWBN-WMZOPIPTSA-N 1 0 281.355 2.369 50 10 CECARO Cc1cc(O)c(C[N@@H+](C)Cc2cnn(C)c2)cc1C ZINC000029539855 361686042 /nfs/dbraw/zinc/68/60/42/361686042.db2.gz VSBOXNGZTSQFKO-UHFFFAOYSA-N 1 0 259.353 2.375 50 10 CECARO O=c1[nH]c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2[nH]1 ZINC000784615419 647869584 /nfs/dbraw/zinc/86/95/84/647869584.db2.gz ABFPKCJAGZHFFI-UHFFFAOYSA-N 1 0 295.342 2.493 50 10 CECARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000004575461 361321772 /nfs/dbraw/zinc/32/17/72/361321772.db2.gz MNYDLODUPHUFAU-CYBMUJFWSA-N 1 0 293.363 2.176 50 10 CECARO OC[C@H]1CCCC[N@@H+]1Cc1cc(-c2cnccn2)ccc1O ZINC000011841091 361365725 /nfs/dbraw/zinc/36/57/25/361365725.db2.gz PEHQDJTXZUAZAZ-OAHLLOKOSA-N 1 0 299.374 2.196 50 10 CECARO CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005098042 170066077 /nfs/dbraw/zinc/06/60/77/170066077.db2.gz RNKOUNGYLIIMGQ-INIZCTEOSA-N 1 0 275.396 2.026 50 10 CECARO CN1CCc2cc(C[NH2+][C@@H]3CCCC[C@@H]3O)ccc21 ZINC000052002896 362459654 /nfs/dbraw/zinc/45/96/54/362459654.db2.gz IZLBRRQLSXLIPW-ZBFHGGJFSA-N 1 0 260.381 2.072 50 10 CECARO CN(C)c1ccc(C[NH2+]CCOc2ccccn2)cc1 ZINC000057353342 362579372 /nfs/dbraw/zinc/57/93/72/362579372.db2.gz RUQVYRNMYLYRGW-UHFFFAOYSA-N 1 0 271.364 2.316 50 10 CECARO COc1ccccc1[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000065489035 362827129 /nfs/dbraw/zinc/82/71/29/362827129.db2.gz WZYOWKWTWHHXCE-INIZCTEOSA-N 1 0 299.370 2.453 50 10 CECARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccccc2O)N1 ZINC000000530932 283271190 /nfs/dbraw/zinc/27/11/90/283271190.db2.gz IOMOCKOZFKEAHD-CYBMUJFWSA-N 1 0 279.303 2.239 50 10 CECARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(N(C)C)cc1 ZINC000019771280 361552050 /nfs/dbraw/zinc/55/20/50/361552050.db2.gz MPRIAAOPFCHYIG-RHSMWYFYSA-N 1 0 273.424 2.421 50 10 CECARO Cc1cc(O)c(C[NH+]2CCN(c3cnccn3)CC2)cc1C ZINC000026662024 361644834 /nfs/dbraw/zinc/64/48/34/361644834.db2.gz IAOUVNKLKSAKKE-UHFFFAOYSA-N 1 0 298.390 2.121 50 10 CECARO Oc1cc2c(cc1O)[C@@H](c1ccccc1)C[NH2+]CC2 ZINC000001996374 169766004 /nfs/dbraw/zinc/76/60/04/169766004.db2.gz JUDKOGFHZYMDMF-CQSZACIVSA-N 1 0 255.317 2.375 50 10 investigational CECARO Oc1ccccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000020124353 171006643 /nfs/dbraw/zinc/00/66/43/171006643.db2.gz AMZWPLMOTQQXTN-UHFFFAOYSA-N 1 0 257.289 2.411 50 10 CECARO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000111363479 364730495 /nfs/dbraw/zinc/73/04/95/364730495.db2.gz DZMDSOMQRLVRNG-UHFFFAOYSA-N 1 0 271.364 2.262 50 10 CECARO c1cc2c(cc1C[NH2+][C@H]1CN3CCC1CC3)CCCO2 ZINC000534580341 328311549 /nfs/dbraw/zinc/31/15/49/328311549.db2.gz JFCQWALMBXSLIJ-INIZCTEOSA-N 1 0 272.392 2.195 50 10 CECARO CCN(CC)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000022586491 171392883 /nfs/dbraw/zinc/39/28/83/171392883.db2.gz XQXDNBIXVUTJBX-UHFFFAOYSA-N 1 0 261.413 2.280 50 10 CECARO COc1ccc(N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000065460321 274113230 /nfs/dbraw/zinc/11/32/30/274113230.db2.gz QUVHRBFCBVEEMQ-UHFFFAOYSA-N 1 0 298.390 2.060 50 10 CECARO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000040825837 362002314 /nfs/dbraw/zinc/00/23/14/362002314.db2.gz LCZNFOPVUAPTRR-MRXNPFEDSA-N 1 0 283.375 2.069 50 10 CECARO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000054174618 362516142 /nfs/dbraw/zinc/51/61/42/362516142.db2.gz WEUABVOQHBUJEQ-UHFFFAOYSA-N 1 0 283.375 2.372 50 10 CECARO COc1cc([C@@H]2[NH2+]CCc3cc(O)c(O)cc32)ccc1O ZINC000019691251 361546867 /nfs/dbraw/zinc/54/68/67/361546867.db2.gz VFVHBGRIYWENGB-INIZCTEOSA-N 1 0 287.315 2.047 50 10 CECARO COc1ccc2c(c1O)C[NH2+]C[C@H]2c1ccc(O)c(O)c1 ZINC000024717556 361612966 /nfs/dbraw/zinc/61/29/66/361612966.db2.gz HCSVOIBUMVAWST-NSHDSACASA-N 1 0 287.315 2.047 50 10 CECARO CC1=NN(c2ccccc2)C(=S)/C1=C/NCC[NH+](C)C ZINC000109083497 400270057 /nfs/dbraw/zinc/27/00/57/400270057.db2.gz DAEZZIVKEAAEJZ-SDNWHVSQSA-N 1 0 288.420 2.245 50 10 CECARO CCOc1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C)c1O ZINC000584904424 345004564 /nfs/dbraw/zinc/00/45/64/345004564.db2.gz WDHXEPFBIHEADJ-UKRRQHHQSA-N 1 0 290.407 2.459 50 10 CECARO COc1cccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1O ZINC000065425093 362821834 /nfs/dbraw/zinc/82/18/34/362821834.db2.gz WBUKAOPZWUWUKI-AWEZNQCLSA-N 1 0 276.380 2.071 50 10 CECARO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000000214420 361147293 /nfs/dbraw/zinc/14/72/93/361147293.db2.gz LBMJJLYYURHYGP-HNNXBMFYSA-N 1 0 289.423 2.230 50 10 CECARO CN(C)c1ccc([C@H](C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000019415855 361533427 /nfs/dbraw/zinc/53/34/27/361533427.db2.gz MDPRFSHJWBTVGK-ZDUSSCGKSA-N 1 0 279.384 2.277 50 10 CECARO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000071837213 527487396 /nfs/dbraw/zinc/48/73/96/527487396.db2.gz YGXNOQMXZLVLQD-HNNXBMFYSA-N 1 0 296.370 2.477 50 10 CECARO CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000019865127 361562519 /nfs/dbraw/zinc/56/25/19/361562519.db2.gz KMTKDXVCTVEGRZ-UHFFFAOYSA-N 1 0 256.349 2.293 50 10 CECARO C[NH+](C)CCOc1cc2c3c(c1)CCCN3CCC2 ZINC000033898233 134776641 /nfs/dbraw/zinc/77/66/41/134776641.db2.gz ACJWFMRGLPVPPI-UHFFFAOYSA-N 1 0 260.381 2.326 50 10 CECARO CCN(CC)c1ccc(C[NH2+]C(C)(C)CO)cc1 ZINC000006869657 170251461 /nfs/dbraw/zinc/25/14/61/170251461.db2.gz TWKRITGRIWRRPR-UHFFFAOYSA-N 1 0 250.386 2.393 50 10 CECARO C[C@@H](NC(=O)C[NH+]1CCCCCC1)c1ccccc1O ZINC000952968343 815091995 /nfs/dbraw/zinc/09/19/95/815091995.db2.gz GKOXRTBCLXDICI-CYBMUJFWSA-N 1 0 276.380 2.445 50 10 CECARO CN(C)c1ccc(/C=C/CN2CCC[N@H+](C)CC2)cc1 ZINC000019634775 361546069 /nfs/dbraw/zinc/54/60/69/361546069.db2.gz BNPXLCSWCWTWIM-GQCTYLIASA-N 1 0 273.424 2.403 50 10 CECARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000022936674 361590617 /nfs/dbraw/zinc/59/06/17/361590617.db2.gz QOOKLBJZERZBCI-MRXNPFEDSA-N 1 0 261.413 2.327 50 10 CECARO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000000757163 361191290 /nfs/dbraw/zinc/19/12/90/361191290.db2.gz CYLAPGBHXFLGTO-MRXNPFEDSA-N 1 0 262.397 2.490 50 10 CECARO COC(=O)c1c(C)oc2ccc(O)c(C[NH+](C)C)c21 ZINC000004350674 361313597 /nfs/dbraw/zinc/31/35/97/361313597.db2.gz YPXQUQZTVDLGSI-UHFFFAOYSA-N 1 0 263.293 2.295 50 10 CECARO Oc1cccc2c1C[N@@H+](Cc1ccccc1)C[C@@H]2O ZINC000039270724 174167836 /nfs/dbraw/zinc/16/78/36/174167836.db2.gz ZBEQVCYVRVMPSY-INIZCTEOSA-N 1 0 255.317 2.441 50 10 CECARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000051188040 643815133 /nfs/dbraw/zinc/81/51/33/643815133.db2.gz ARYPKHFKGBTWBN-FUHWJXTLSA-N 1 0 281.355 2.369 50 10 CECARO [NH3+]Cc1ccc(N2CCN(c3ccccc3)CC2)cc1 ZINC000011757256 361363618 /nfs/dbraw/zinc/36/36/18/361363618.db2.gz AERBHUYMCMASPX-UHFFFAOYSA-N 1 0 267.376 2.472 50 10 CECARO C[NH2+]CC(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000071752509 363111559 /nfs/dbraw/zinc/11/15/59/363111559.db2.gz UMEJABIAYQRBSK-CYBMUJFWSA-N 1 0 275.396 2.074 50 10 CECARO Cc1c(C[NH2+]Cc2ccc(N(C)C)cc2)cnn1C ZINC000012395344 361382288 /nfs/dbraw/zinc/38/22/88/361382288.db2.gz YPYOFUYRZQTDIY-UHFFFAOYSA-N 1 0 258.369 2.084 50 10 CECARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(N(C)C)cc1 ZINC000019771279 361552034 /nfs/dbraw/zinc/55/20/34/361552034.db2.gz MPRIAAOPFCHYIG-YOEHRIQHSA-N 1 0 273.424 2.421 50 10 CECARO CC[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccccc1O ZINC000252584834 371456980 /nfs/dbraw/zinc/45/69/80/371456980.db2.gz DCNMRLJQSDQHED-MOCULFSLSA-N 1 0 255.383 2.200 50 10 CECARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(N(C)C)cc1 ZINC000019771281 170856692 /nfs/dbraw/zinc/85/66/92/170856692.db2.gz MPRIAAOPFCHYIG-WMLDXEAASA-N 1 0 273.424 2.421 50 10 CECARO Oc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1 ZINC000000000857 275060813 /nfs/dbraw/zinc/06/08/13/275060813.db2.gz WZRCQWQRFZITDX-AWEZNQCLSA-N 1 0 271.316 2.233 50 10 endogenous,in-man CECARO CC[N@H+](CCO)Cc1cc(-c2ccccn2)ccc1O ZINC000012156497 642979896 /nfs/dbraw/zinc/97/98/96/642979896.db2.gz GYDLIBHABZEDDY-UHFFFAOYSA-N 1 0 272.348 2.268 50 10 CECARO C[C@H](O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000225614355 344546708 /nfs/dbraw/zinc/54/67/08/344546708.db2.gz LZBYHXMNTYBGNE-QWRGUYRKSA-N 1 0 253.317 2.124 50 10 CECARO c1csc(SCCC[NH2+]Cc2cc[nH]n2)n1 ZINC000084044554 539487902 /nfs/dbraw/zinc/48/79/02/539487902.db2.gz QQYUHDWHACWJEL-UHFFFAOYSA-N 1 0 254.384 2.138 50 10 CECARO Cc1c[n+](C)c(/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000075402882 363462691 /nfs/dbraw/zinc/46/26/91/363462691.db2.gz AKWGVXOVEJVLMS-UHFFFAOYSA-N 1 0 254.357 2.451 50 10 CECARO CC(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005097794 170065762 /nfs/dbraw/zinc/06/57/62/170065762.db2.gz JQJDPZGJPZTABJ-HNNXBMFYSA-N 1 0 277.412 2.128 50 10 CECARO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H]3CCCC[C@@H]31)OCO2 ZINC000054545484 362537701 /nfs/dbraw/zinc/53/77/01/362537701.db2.gz XKWKAHISKDRAAC-GXTWGEPZSA-N 1 0 291.347 2.264 50 10 CECARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(N)cc2)C1 ZINC000058573904 362633654 /nfs/dbraw/zinc/63/36/54/362633654.db2.gz FIPCMCBPZFZPLZ-AWEZNQCLSA-N 1 0 291.395 2.368 50 10 CECARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000022936676 361590163 /nfs/dbraw/zinc/59/01/63/361590163.db2.gz QOOKLBJZERZBCI-INIZCTEOSA-N 1 0 261.413 2.327 50 10 CECARO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N(C)C)cc1 ZINC000095450956 364384796 /nfs/dbraw/zinc/38/47/96/364384796.db2.gz KDDUJILODJNLKR-KCQAQPDRSA-N 1 0 260.381 2.340 50 10 CECARO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCOC(C)(C)C2)cc1 ZINC000002101423 169775032 /nfs/dbraw/zinc/77/50/32/169775032.db2.gz DBTRIZJVKLKCRR-KRWDZBQOSA-N 1 0 292.423 2.162 50 10 CECARO CCNC(=O)CC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000019737027 361550189 /nfs/dbraw/zinc/55/01/89/361550189.db2.gz QPIYEANJOIYTTO-UHFFFAOYSA-N 1 0 277.412 2.149 50 10 CECARO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H]3CCCC[C@H]31)OCO2 ZINC000230118766 370440248 /nfs/dbraw/zinc/44/02/48/370440248.db2.gz XKWKAHISKDRAAC-TZMCWYRMSA-N 1 0 291.347 2.264 50 10 CECARO CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005098052 170065984 /nfs/dbraw/zinc/06/59/84/170065984.db2.gz ABFMIJKPWJHNBQ-MRXNPFEDSA-N 1 0 289.423 2.416 50 10 CECARO CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005098043 170065772 /nfs/dbraw/zinc/06/57/72/170065772.db2.gz RNKOUNGYLIIMGQ-MRXNPFEDSA-N 1 0 275.396 2.026 50 10 CECARO CCOc1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C)c1O ZINC000022078374 343378707 /nfs/dbraw/zinc/37/87/07/343378707.db2.gz WDHXEPFBIHEADJ-DZGCQCFKSA-N 1 0 290.407 2.459 50 10 CECARO [NH3+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000019472296 361536726 /nfs/dbraw/zinc/53/67/26/361536726.db2.gz ZPAJVKGSUPURKS-VIFPVBQESA-N 1 0 260.259 2.370 50 10 CECARO CCOC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000006439088 170201563 /nfs/dbraw/zinc/20/15/63/170201563.db2.gz JXFTZZJMKKNXQB-UHFFFAOYSA-N 1 0 263.337 2.167 50 10 CECARO Nc1ccc(NC(=O)CC[NH+]2CCCCCC2)cc1 ZINC000022156375 171362773 /nfs/dbraw/zinc/36/27/73/171362773.db2.gz MCLSVFCFXFMFCN-UHFFFAOYSA-N 1 0 261.369 2.473 50 10 CECARO Cc1cnn(C[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000069490113 362972305 /nfs/dbraw/zinc/97/23/05/362972305.db2.gz OUKZSPUELZTYBJ-ZDUSSCGKSA-N 1 0 271.364 2.305 50 10 CECARO C[N@H+](CCOc1ccc(N)cc1)CCc1ccc(N)cc1 ZINC000026893966 361647197 /nfs/dbraw/zinc/64/71/97/361647197.db2.gz QZYRUZJJDBUKII-UHFFFAOYSA-N 1 0 285.391 2.404 50 10 CECARO CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005098051 170065947 /nfs/dbraw/zinc/06/59/47/170065947.db2.gz ABFMIJKPWJHNBQ-INIZCTEOSA-N 1 0 289.423 2.416 50 10 CECARO NC(=[NH2+])NC1=NC(=O)C(=Cc2cccc3ccccc23)S1 ZINC000006942462 170257417 /nfs/dbraw/zinc/25/74/17/170257417.db2.gz DSPXCIGFWJXWIL-XYOKQWHBSA-N 1 0 296.355 2.293 50 10 CECARO CCOC(=O)C([N+]#N)c1ccc(Br)cc1 ZINC000040448262 539032767 /nfs/dbraw/zinc/03/27/67/539032767.db2.gz XWVFDRBGXZRGAE-UHFFFAOYSA-N 1 0 269.098 2.031 50 10 CECARO CC[C@H]([NH2+]CC1(CO)CCOCC1)c1ccccc1O ZINC000186293989 344509836 /nfs/dbraw/zinc/50/98/36/344509836.db2.gz OPCWXSJZFACPPP-AWEZNQCLSA-N 1 0 279.380 2.222 50 10 CECARO C[NH2+]CC(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000071752508 363112635 /nfs/dbraw/zinc/11/26/35/363112635.db2.gz UMEJABIAYQRBSK-ZDUSSCGKSA-N 1 0 275.396 2.074 50 10 CECARO Cc1nn(C)c(C)c1C[NH2+]Cc1cc(C)ccc1O ZINC000078638580 260168343 /nfs/dbraw/zinc/16/83/43/260168343.db2.gz BDXYSBYMSQXVDV-UHFFFAOYSA-N 1 0 259.353 2.341 50 10 CECARO CC[C@H]([NH2+]C[C@](C)(O)c1cnn(C)c1)c1ccccc1O ZINC000155993815 529622144 /nfs/dbraw/zinc/62/21/44/529622144.db2.gz CZWSEWSOBLHEIY-HOCLYGCPSA-N 1 0 289.379 2.074 50 10 CECARO Oc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC000043151377 362137671 /nfs/dbraw/zinc/13/76/71/362137671.db2.gz QRNFTXLVWOXIBP-UHFFFAOYSA-N 1 0 298.386 2.416 50 10 CECARO CCOc1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C)c1O ZINC000584904423 345004948 /nfs/dbraw/zinc/00/49/48/345004948.db2.gz WDHXEPFBIHEADJ-HIFRSBDPSA-N 1 0 290.407 2.459 50 10 CECARO [NH3+]C[C@@H]1O[C@H](c2ccccc2)Cc2c(O)c(O)ccc21 ZINC000003787668 361290137 /nfs/dbraw/zinc/29/01/37/361290137.db2.gz SUHGRZPINGKYNV-GJZGRUSLSA-N 1 0 271.316 2.412 50 10 in-vivo CECARO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000085334669 540131043 /nfs/dbraw/zinc/13/10/43/540131043.db2.gz ARYPKHFKGBTWBN-AEFFLSMTSA-N 1 0 281.355 2.369 50 10 CECARO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH3+])cc2)CC1 ZINC000000168873 361138770 /nfs/dbraw/zinc/13/87/70/361138770.db2.gz TTXMFUXVXBAVIP-UHFFFAOYSA-N 1 0 291.395 2.202 50 10 CECARO Oc1cc2c(cc1O)[C@H](c1ccccc1)C[NH2+]CC2 ZINC000001572556 361208657 /nfs/dbraw/zinc/20/86/57/361208657.db2.gz JUDKOGFHZYMDMF-AWEZNQCLSA-N 1 0 255.317 2.375 50 10 investigational CECARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(N(C)C)cc1 ZINC000022917056 361590590 /nfs/dbraw/zinc/59/05/90/361590590.db2.gz MPRIAAOPFCHYIG-PBHICJAKSA-N 1 0 273.424 2.421 50 10 CECARO Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000020265053 171122138 /nfs/dbraw/zinc/12/21/38/171122138.db2.gz IANDZERBLXSPOG-UHFFFAOYSA-N 1 0 261.369 2.473 50 10 CECARO CC(C)NC(=O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000057801332 362595702 /nfs/dbraw/zinc/59/57/02/362595702.db2.gz GSAKXKONLZPIQM-UHFFFAOYSA-N 1 0 289.423 2.291 50 10 CECARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@H]2c1ccc(O)c(O)c1 ZINC000062001423 362701585 /nfs/dbraw/zinc/70/15/85/362701585.db2.gz GYQMBGLYRVEOLL-RDJZCZTQSA-N 1 0 296.326 2.022 50 10 CECARO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000085334665 540130994 /nfs/dbraw/zinc/13/09/94/540130994.db2.gz ARYPKHFKGBTWBN-SJLPKXTDSA-N 1 0 281.355 2.369 50 10 CECARO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N(C)C)cc1 ZINC000095450957 364384438 /nfs/dbraw/zinc/38/44/38/364384438.db2.gz KDDUJILODJNLKR-VNHYZAJKSA-N 1 0 260.381 2.340 50 10 CECARO Oc1cccc(C[NH2+]CCc2ccc(O)c(O)c2)c1 ZINC000003847223 169916309 /nfs/dbraw/zinc/91/63/09/169916309.db2.gz OXXVNKKPUVETHL-UHFFFAOYSA-N 1 0 259.305 2.136 50 10 CECARO COc1cccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)c1O ZINC000022018146 171349646 /nfs/dbraw/zinc/34/96/46/171349646.db2.gz KQMPYPWFWHDARF-NOLJZWGESA-N 1 0 277.364 2.357 50 10 CECARO Oc1ccc(-c2ncccn2)cc1C[NH+]1CCSCC1 ZINC000110329100 631996078 /nfs/dbraw/zinc/99/60/78/631996078.db2.gz SRHSYYFJWZYSDD-UHFFFAOYSA-N 1 0 287.388 2.398 50 10 CECARO COc1cccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)c1O ZINC000008553101 343362966 /nfs/dbraw/zinc/36/29/66/343362966.db2.gz KQMPYPWFWHDARF-IVMMDQJWSA-N 1 0 277.364 2.357 50 10 CECARO CCOc1ccc(C[NH2+][C@@H]2CCOC2)cc1COC(C)=O ZINC000065526382 362831792 /nfs/dbraw/zinc/83/17/92/362831792.db2.gz SJDILJAXQJOBPK-OAHLLOKOSA-N 1 0 293.363 2.027 50 10 CECARO CN(C)c1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000012551230 361390705 /nfs/dbraw/zinc/39/07/05/361390705.db2.gz CTULGKFWYYPVEL-UHFFFAOYSA-N 1 0 297.402 2.484 50 10 CECARO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000023281338 361598015 /nfs/dbraw/zinc/59/80/15/361598015.db2.gz IOCNLYSHILJJEQ-LLVKDONJSA-N 1 0 286.169 2.111 50 10 CECARO Oc1cc2c(cc1C[N@@H+]1CCO[C@H]3CCCC[C@H]31)OCO2 ZINC000230118772 370439986 /nfs/dbraw/zinc/43/99/86/370439986.db2.gz XKWKAHISKDRAAC-OCCSQVGLSA-N 1 0 291.347 2.264 50 10 CECARO CCN(CC)c1ccc(C[NH2+]CCC(=O)OC)cc1 ZINC000019736878 361550203 /nfs/dbraw/zinc/55/02/03/361550203.db2.gz MPWWEJJJWDRPDO-UHFFFAOYSA-N 1 0 264.369 2.186 50 10 CECARO Cc1cc(O)c(C[NH+]2CCC3(CC2)OCCO3)cc1C ZINC000026609476 361642913 /nfs/dbraw/zinc/64/29/13/361642913.db2.gz CMADTYKULPPEQW-UHFFFAOYSA-N 1 0 277.364 2.348 50 10 CECARO O=C1c2sc3cccc[n+]3c2C(=O)c2ccccc21 ZINC000004576147 285028027 /nfs/dbraw/zinc/02/80/27/285028027.db2.gz TUVSEDDUORWXPS-UHFFFAOYSA-N 1 0 266.301 2.262 50 10 CECARO Cc1cccc(C[NH+]2CCC(N3CCCC3=O)CC2)c1O ZINC000071735465 176257615 /nfs/dbraw/zinc/25/76/15/176257615.db2.gz TXGXZANPVLYEGU-UHFFFAOYSA-N 1 0 288.391 2.287 50 10 CECARO COCc1cc(CN[C@H](C)c2nnc(C)[nH]2)ccc1OC ZINC000952992147 616884463 /nfs/dbraw/zinc/88/44/63/616884463.db2.gz XQCSZQMLADHXEK-SNVBAGLBSA-N 1 0 290.367 2.119 50 10 CECARO CN1CCc2cc(C[NH2+][C@@H]3CCCC[C@H]3O)ccc21 ZINC000185167939 529812360 /nfs/dbraw/zinc/81/23/60/529812360.db2.gz IZLBRRQLSXLIPW-GDBMZVCRSA-N 1 0 260.381 2.072 50 10 CECARO CCOC(=O)c1c(C)n(C)c2ccc(O)c(C[NH+](C)C)c21 ZINC000000478523 361179424 /nfs/dbraw/zinc/17/94/24/361179424.db2.gz CXCWEVZTMHDHDI-UHFFFAOYSA-N 1 0 290.363 2.431 50 10 CECARO CC[C@@H](CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000006870735 260024031 /nfs/dbraw/zinc/02/40/31/260024031.db2.gz UONQRMPXTKIMIG-AWEZNQCLSA-N 1 0 250.386 2.393 50 10 CECARO C[N@@H+]1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC000023281673 625621465 /nfs/dbraw/zinc/62/14/65/625621465.db2.gz ITYPSRCKXQNHNG-UHFFFAOYSA-N 1 0 299.212 2.292 50 10 CECARO COc1cccc(O)c1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000067713086 362919395 /nfs/dbraw/zinc/91/93/95/362919395.db2.gz RFMHICLLNJFUJL-QGZVFWFLSA-N 1 0 290.407 2.319 50 10 CECARO Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000098181740 364536876 /nfs/dbraw/zinc/53/68/76/364536876.db2.gz TUAHDMSPHZSMQN-INIZCTEOSA-N 1 0 256.349 2.135 50 10 CECARO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000023281698 625620143 /nfs/dbraw/zinc/62/01/43/625620143.db2.gz PMTNCRHDKNOHNZ-WMHVBEDNSA-N 1 0 260.381 2.223 50 10 CECARO CON1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000585087395 813669777 /nfs/dbraw/zinc/66/97/77/813669777.db2.gz RLMRIRQJBGIRKX-JTQLQIEISA-N 1 0 268.332 2.208 50 10 CECARO CC[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccccc1O ZINC000156202853 188248508 /nfs/dbraw/zinc/24/85/08/188248508.db2.gz YYGCFTIOPQMEHV-GXTWGEPZSA-N 1 0 267.394 2.301 50 10 CECARO CN(C)c1ncccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000012760388 361399363 /nfs/dbraw/zinc/39/93/63/361399363.db2.gz UYCDDMMNAFLCAK-UHFFFAOYSA-N 1 0 283.375 2.372 50 10 CECARO Oc1ccc(Cl)cc1C[NH2+]CCN1CCCC1 ZINC000019358873 361528787 /nfs/dbraw/zinc/52/87/87/361528787.db2.gz DNQSFZCBKFSQTN-UHFFFAOYSA-N 1 0 254.761 2.231 50 10 CECARO CN(C)c1ccc([C@@H](C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000019415853 361533782 /nfs/dbraw/zinc/53/37/82/361533782.db2.gz MDPRFSHJWBTVGK-CYBMUJFWSA-N 1 0 279.384 2.277 50 10 CECARO CC[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1ccccc1O ZINC000252584835 371457194 /nfs/dbraw/zinc/45/71/94/371457194.db2.gz DCNMRLJQSDQHED-ZMNCSTGQSA-N 1 0 255.383 2.200 50 10 CECARO CCO[C@@H]1C[C@](O)(C[NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000188053611 395309917 /nfs/dbraw/zinc/30/99/17/395309917.db2.gz LMKCZIOMDZTAGA-ZBFHGGJFSA-N 1 0 297.370 2.187 50 10 CECARO CC[C@H](CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000006870796 260024076 /nfs/dbraw/zinc/02/40/76/260024076.db2.gz UONQRMPXTKIMIG-CQSZACIVSA-N 1 0 250.386 2.393 50 10 CECARO Cc1cc(C[NH3+])c(C)n1-c1ccc2c(c1)OCCO2 ZINC000034936147 361797268 /nfs/dbraw/zinc/79/72/68/361797268.db2.gz UQTWTTWDDWJPCM-UHFFFAOYSA-N 1 0 258.321 2.324 50 10 CECARO CC[C@H]([NH2+]C[C@@](C)(O)c1cnn(C)c1)c1ccccc1O ZINC000155994037 529616883 /nfs/dbraw/zinc/61/68/83/529616883.db2.gz CZWSEWSOBLHEIY-GOEBONIOSA-N 1 0 289.379 2.074 50 10 CECARO COc1cccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)c1O ZINC000043157570 362138843 /nfs/dbraw/zinc/13/88/43/362138843.db2.gz KQMPYPWFWHDARF-INWMFGNUSA-N 1 0 277.364 2.357 50 10 CECARO c1cn2c(n1)[C@H](C[NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000084459193 539507035 /nfs/dbraw/zinc/50/70/35/539507035.db2.gz UBQSXABKOBEKCY-HNNXBMFYSA-N 1 0 283.375 2.485 50 10 CECARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccc(N)cc1 ZINC000003896356 361292988 /nfs/dbraw/zinc/29/29/88/361292988.db2.gz LHLQAMIOXPCYGU-GUTXKFCHSA-N 1 0 278.396 2.271 50 10 CECARO COc1ccc2c(c1O)C[NH2+]C[C@@H]2c1ccc(O)c(O)c1 ZINC000024717553 277447764 /nfs/dbraw/zinc/44/77/64/277447764.db2.gz HCSVOIBUMVAWST-LLVKDONJSA-N 1 0 287.315 2.047 50 10 CECARO CC(/C=C/[NH+](C)C)=C1C(=O)N(C)c2ccccc2N(C)C1=O ZINC000051129949 277928082 /nfs/dbraw/zinc/92/80/82/277928082.db2.gz KYGYXVQGIAWPGC-ZHACJKMWSA-N 1 0 299.374 2.018 50 10 CECARO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000040825839 362001707 /nfs/dbraw/zinc/00/17/07/362001707.db2.gz LCZNFOPVUAPTRR-INIZCTEOSA-N 1 0 283.375 2.069 50 10 CECARO C[NH+](C)CCCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000014171034 361450261 /nfs/dbraw/zinc/45/02/61/361450261.db2.gz PCBXPXIMFKTMHF-PKNBQFBNSA-N 1 0 296.417 2.433 50 10 CECARO Cc1n[nH]cc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050266782 362412410 /nfs/dbraw/zinc/41/24/10/362412410.db2.gz LRAWHFJQPLUKKE-UHFFFAOYSA-N 1 0 270.380 2.390 50 10 CECARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000004590263 361322937 /nfs/dbraw/zinc/32/29/37/361322937.db2.gz QUFAWTYLYGFDOF-CYBMUJFWSA-N 1 0 263.337 2.167 50 10 CECARO CC(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005097795 170065732 /nfs/dbraw/zinc/06/57/32/170065732.db2.gz JQJDPZGJPZTABJ-OAHLLOKOSA-N 1 0 277.412 2.128 50 10 CECARO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000023281937 625621343 /nfs/dbraw/zinc/62/13/43/625621343.db2.gz CDLRPPSSZILQDG-WMHVBEDNSA-N 1 0 274.408 2.470 50 10 CECARO CC[C@H](C(N)=O)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000095978518 364396515 /nfs/dbraw/zinc/39/65/15/364396515.db2.gz GFRJFFPKRSLIPZ-MRXNPFEDSA-N 1 0 289.423 2.373 50 10 CECARO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N)cc2)C1 ZINC000058573906 394565754 /nfs/dbraw/zinc/56/57/54/394565754.db2.gz FIPCMCBPZFZPLZ-CQSZACIVSA-N 1 0 291.395 2.368 50 10 CECARO CCO[C@@H]1C[C@@](O)(C[NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000188053658 395309269 /nfs/dbraw/zinc/30/92/69/395309269.db2.gz LMKCZIOMDZTAGA-GDBMZVCRSA-N 1 0 297.370 2.187 50 10 CECARO C[NH+](C)CCCN1C(=O)/C(=C/c2ccco2)SC1=S ZINC000096935884 185132729 /nfs/dbraw/zinc/13/27/29/185132729.db2.gz PCBXPXIMFKTMHF-LUAWRHEFSA-N 1 0 296.417 2.433 50 10 CECARO O=C1[C@H]([NH2+]Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000078394192 177336972 /nfs/dbraw/zinc/33/69/72/177336972.db2.gz HCTXLPGSPZILRM-MRXNPFEDSA-N 1 0 296.370 2.283 50 10 CECARO CON1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000585087396 813669277 /nfs/dbraw/zinc/66/92/77/813669277.db2.gz RLMRIRQJBGIRKX-SNVBAGLBSA-N 1 0 268.332 2.208 50 10 CECARO CN1CCc2cc(C[NH2+][C@H]3CCCC[C@@H]3O)ccc21 ZINC000052002899 362459934 /nfs/dbraw/zinc/45/99/34/362459934.db2.gz IZLBRRQLSXLIPW-HOCLYGCPSA-N 1 0 260.381 2.072 50 10 CECARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2c1ccc(O)c(O)c1 ZINC000062001421 362702077 /nfs/dbraw/zinc/70/20/77/362702077.db2.gz GYQMBGLYRVEOLL-WBVHZDCISA-N 1 0 296.326 2.022 50 10 CECARO CCNC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccccc2O)C1 ZINC000156731614 188279236 /nfs/dbraw/zinc/27/92/36/188279236.db2.gz WIMAGYXLDZMBRB-TZMCWYRMSA-N 1 0 291.395 2.237 50 10 CECARO Cc1ccc(/C=C2/SC(=S)N(CC[NH+](C)C)C2=O)o1 ZINC000014171038 361449943 /nfs/dbraw/zinc/44/99/43/361449943.db2.gz CTUBLZSBKVZKCC-DHZHZOJOSA-N 1 0 296.417 2.351 50 10 CECARO O[C@]1(c2ccccc2)C[N+](c2ccccc2)=C2SCCN21 ZINC000015973951 361481713 /nfs/dbraw/zinc/48/17/13/361481713.db2.gz FFYYJJOKKSGUHI-KRWDZBQOSA-N 1 0 297.403 2.467 50 10 CECARO O[C@@]1(c2ccccc2)C[N+](c2ccccc2)=C2SCCN21 ZINC000015973950 361481765 /nfs/dbraw/zinc/48/17/65/361481765.db2.gz FFYYJJOKKSGUHI-QGZVFWFLSA-N 1 0 297.403 2.467 50 10 CECARO CC[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000019609144 361545311 /nfs/dbraw/zinc/54/53/11/361545311.db2.gz XATJQMQCTCNHKL-UHFFFAOYSA-N 1 0 299.212 2.292 50 10 CECARO