smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC[NH2+][C@@H]1C[C@H](O)C1(C)C 159546078 538032746 /nfs/dbraw/zinc/03/27/46/538032746.db2.gz GPLVTKSCPCYZJV-ZJUUUORDSA-N 1 0 185.311 1.926 20 70 ADIDRO CCC[N@@H+]1CCC[C@@H]1C[C@@H](C)O 159385113 538032848 /nfs/dbraw/zinc/03/28/48/538032848.db2.gz WTVVSANUKPSESO-NXEZZACHSA-N 1 0 171.284 1.632 20 70 ADIDRO CCCCC[NH2+][C@@H]1C[C@@H](O)C1(C)C 159546326 538033940 /nfs/dbraw/zinc/03/39/40/538033940.db2.gz GPLVTKSCPCYZJV-NXEZZACHSA-N 1 0 185.311 1.926 20 70 ADIDRO CC(C)CC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 159468755 538034305 /nfs/dbraw/zinc/03/43/05/538034305.db2.gz BQJVFMQGFRNKHP-GHMZBOCLSA-N 1 0 185.311 1.735 20 70 ADIDRO CCC[N@@H+]1CCC[C@H]1C[C@@H](C)O 159385233 538034446 /nfs/dbraw/zinc/03/44/46/538034446.db2.gz WTVVSANUKPSESO-ZJUUUORDSA-N 1 0 171.284 1.632 20 70 ADIDRO Cc1ccc(F)cc1C[N@H+](C)CCO 159459684 538034966 /nfs/dbraw/zinc/03/49/66/538034966.db2.gz OMYRJKGHBSXTCS-UHFFFAOYSA-N 1 0 197.253 1.558 20 70 ADIDRO CCCCC[NH2+][C@H]1C[C@@H](O)C1(C)C 159546445 538035540 /nfs/dbraw/zinc/03/55/40/538035540.db2.gz GPLVTKSCPCYZJV-VHSXEESVSA-N 1 0 185.311 1.926 20 70 ADIDRO CC(C)CC[N@@H+]1CC[C@H]([C@@H](C)O)C1 159468606 538035801 /nfs/dbraw/zinc/03/58/01/538035801.db2.gz BQJVFMQGFRNKHP-MNOVXSKESA-N 1 0 185.311 1.735 20 70 ADIDRO CCCCC[NH2+][C@H]1C[C@H](O)C1(C)C 159546212 538035894 /nfs/dbraw/zinc/03/58/94/538035894.db2.gz GPLVTKSCPCYZJV-UWVGGRQHSA-N 1 0 185.311 1.926 20 70 ADIDRO CC[C@H](C)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 159467075 538036377 /nfs/dbraw/zinc/03/63/77/538036377.db2.gz DVQMSFLQLCLIDJ-AXFHLTTASA-N 1 0 185.311 1.735 20 70 ADIDRO CC[C@@H]([NH2+][C@H](C)C1CCC1)C(N)=O 160028488 538038036 /nfs/dbraw/zinc/03/80/36/538038036.db2.gz LNGBYLTXJSCGIG-VXNVDRBHSA-N 1 0 184.283 1.029 20 70 ADIDRO CC[C@@H]([NH2+][C@@H](C)C1CCC1)C(N)=O 160028211 538038239 /nfs/dbraw/zinc/03/82/39/538038239.db2.gz LNGBYLTXJSCGIG-IONNQARKSA-N 1 0 184.283 1.029 20 70 ADIDRO CCn1cc(C[NH2+]C2(C)CCC2)cn1 160006810 538038284 /nfs/dbraw/zinc/03/82/84/538038284.db2.gz LKWNBYFPBCOTRO-UHFFFAOYSA-N 1 0 193.294 1.935 20 70 ADIDRO Cc1c(C[NH2+]C[C@H]2C[C@@H]2C)cnn1C 160140658 538038324 /nfs/dbraw/zinc/03/83/24/538038324.db2.gz ASRWWBSFAJREEK-WCBMZHEXSA-N 1 0 193.294 1.474 20 70 ADIDRO Cc1n[nH]cc1C[NH2+][C@@H](C)C1CCC1 160177014 538038407 /nfs/dbraw/zinc/03/84/07/538038407.db2.gz KNOATGRLSCAIFQ-QMMMGPOBSA-N 1 0 193.294 1.996 20 70 ADIDRO C[C@H]([NH2+]Cc1cn(C)nn1)C1CCC1 160176114 538038454 /nfs/dbraw/zinc/03/84/54/538038454.db2.gz HWMSRVWSJYBOMR-QMMMGPOBSA-N 1 0 194.282 1.093 20 70 ADIDRO CC[C@H]([NH2+][C@@H](C)C1CCC1)C(N)=O 160028078 538038560 /nfs/dbraw/zinc/03/85/60/538038560.db2.gz LNGBYLTXJSCGIG-CBAPKCEASA-N 1 0 184.283 1.029 20 70 ADIDRO C[C@@H]([NH2+]Cc1ncc[nH]1)C1CCC1 160182378 538039210 /nfs/dbraw/zinc/03/92/10/538039210.db2.gz ONGYSWDQUATOFH-MRVPVSSYSA-N 1 0 179.267 1.688 20 70 ADIDRO Cc1n[nH]cc1C[NH2+][C@H](C)C1CCC1 160177110 538039407 /nfs/dbraw/zinc/03/94/07/538039407.db2.gz KNOATGRLSCAIFQ-MRVPVSSYSA-N 1 0 193.294 1.996 20 70 ADIDRO Cc1c(C[NH2+]C[C@@H]2C[C@H]2C)cnn1C 160140819 538039978 /nfs/dbraw/zinc/03/99/78/538039978.db2.gz ASRWWBSFAJREEK-SCZZXKLOSA-N 1 0 193.294 1.474 20 70 ADIDRO C[C@H]([NH2+]Cc1ccn(C)n1)C1CCC1 160175581 538040582 /nfs/dbraw/zinc/04/05/82/538040582.db2.gz FPKFFRGAWDJLSY-VIFPVBQESA-N 1 0 193.294 1.698 20 70 ADIDRO CCn1ccnc1C[NH2+]C1(C)CCC1 160005818 538040699 /nfs/dbraw/zinc/04/06/99/538040699.db2.gz YWOXTLCWWYRUSJ-UHFFFAOYSA-N 1 0 193.294 1.935 20 70 ADIDRO Cc1c(C[NH2+]C[C@@H]2C[C@@H]2C)cnn1C 160140533 538040968 /nfs/dbraw/zinc/04/09/68/538040968.db2.gz ASRWWBSFAJREEK-WPRPVWTQSA-N 1 0 193.294 1.474 20 70 ADIDRO C[C@H]([NH2+]Cc1ncc[nH]1)C1CCC1 160182244 538041026 /nfs/dbraw/zinc/04/10/26/538041026.db2.gz ONGYSWDQUATOFH-QMMMGPOBSA-N 1 0 179.267 1.688 20 70 ADIDRO CCC[C@H](O)CNc1cc[nH+]cc1C 160218437 538041095 /nfs/dbraw/zinc/04/10/95/538041095.db2.gz QCSVPTXJZGBERA-JTQLQIEISA-N 1 0 194.278 1.963 20 70 ADIDRO C[C@@H]([NH2+]Cc1cncn1C)C1CCC1 160182936 538041564 /nfs/dbraw/zinc/04/15/64/538041564.db2.gz UYYUXGCVLVCWNU-SECBINFHSA-N 1 0 193.294 1.698 20 70 ADIDRO C[C@H]([NH2+]Cc1cncn1C)C1CCC1 160182801 538041664 /nfs/dbraw/zinc/04/16/64/538041664.db2.gz UYYUXGCVLVCWNU-VIFPVBQESA-N 1 0 193.294 1.698 20 70 ADIDRO CC[C@H]([NH2+][C@H](C)C1CCC1)C(N)=O 160028349 538042033 /nfs/dbraw/zinc/04/20/33/538042033.db2.gz LNGBYLTXJSCGIG-APPZFPTMSA-N 1 0 184.283 1.029 20 70 ADIDRO CC1([NH2+]Cc2ccc(CO)o2)CCC1 160007097 538042105 /nfs/dbraw/zinc/04/21/05/538042105.db2.gz MNYLZDOTMLAFQY-UHFFFAOYSA-N 1 0 195.262 1.804 20 70 ADIDRO CCC[C@@H](O)CNc1cc[nH+]cc1C 160218572 538042503 /nfs/dbraw/zinc/04/25/03/538042503.db2.gz QCSVPTXJZGBERA-SNVBAGLBSA-N 1 0 194.278 1.963 20 70 ADIDRO C[C@@H]([NH2+]Cc1ccn(C)n1)C1CCC1 160175709 538042253 /nfs/dbraw/zinc/04/22/53/538042253.db2.gz FPKFFRGAWDJLSY-SECBINFHSA-N 1 0 193.294 1.698 20 70 ADIDRO C[C@@H]([NH2+]Cc1cnnn1C)C1CCC1 160181302 538042304 /nfs/dbraw/zinc/04/23/04/538042304.db2.gz VHKFUSXFSBIHIG-MRVPVSSYSA-N 1 0 194.282 1.093 20 70 ADIDRO Cc1c(C[NH2+]C[C@H]2C[C@H]2C)cnn1C 160140974 538042412 /nfs/dbraw/zinc/04/24/12/538042412.db2.gz ASRWWBSFAJREEK-PSASIEDQSA-N 1 0 193.294 1.474 20 70 ADIDRO Cn1ccc(C[NH2+]C2(CO)CCC2)c1 160691197 538047504 /nfs/dbraw/zinc/04/75/04/538047504.db2.gz MBOWZAPJKWXGHS-UHFFFAOYSA-N 1 0 194.278 1.030 20 70 ADIDRO CCCC[C@H](C)[NH2+][C@H](C)CC(N)=O 160678226 538047566 /nfs/dbraw/zinc/04/75/66/538047566.db2.gz HHVICARNPYZWFN-DTWKUNHWSA-N 1 0 186.299 1.419 20 70 ADIDRO C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[C@@H](C)C1 160668421 538047764 /nfs/dbraw/zinc/04/77/64/538047764.db2.gz MSBCKQKDJTULCU-HRDYMLBCSA-N 1 0 184.283 1.029 20 70 ADIDRO CC[C@@H](O)CC[NH2+]Cc1ccn(C)c1 160691013 538047851 /nfs/dbraw/zinc/04/78/51/538047851.db2.gz CZQRITDTVFKRLG-LLVKDONJSA-N 1 0 196.294 1.276 20 70 ADIDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1ccoc1 160677651 538047874 /nfs/dbraw/zinc/04/78/74/538047874.db2.gz XMTZJQSQMPAJKF-HTQZYQBOSA-N 1 0 196.250 1.194 20 70 ADIDRO CC(C)[C@@H](O)C[NH2+]Cc1ccn(C)c1 160684805 538048143 /nfs/dbraw/zinc/04/81/43/538048143.db2.gz ZVQHSWNOXQNQLP-NSHDSACASA-N 1 0 196.294 1.132 20 70 ADIDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccn(C)c1 160682025 538048277 /nfs/dbraw/zinc/04/82/77/538048277.db2.gz KFCXIAMSWBJLPO-MWLCHTKSSA-N 1 0 178.279 1.771 20 70 ADIDRO CC(C)[C@H](O)C[NH2+]Cc1ccn(C)c1 160684675 538048357 /nfs/dbraw/zinc/04/83/57/538048357.db2.gz ZVQHSWNOXQNQLP-LLVKDONJSA-N 1 0 196.294 1.132 20 70 ADIDRO CCCC[C@H](C)[NH2+][C@@H](C)CC(N)=O 160677974 538048586 /nfs/dbraw/zinc/04/85/86/538048586.db2.gz HHVICARNPYZWFN-IUCAKERBSA-N 1 0 186.299 1.419 20 70 ADIDRO CC[C@@H]([NH2+][C@H](C)CC(N)=O)C1CC1 160673752 538048799 /nfs/dbraw/zinc/04/87/99/538048799.db2.gz WKWLZTCXWWCVPO-VXNVDRBHSA-N 1 0 184.283 1.029 20 70 ADIDRO CC[C@H](O)CC[NH2+]Cc1ccn(C)c1 160690908 538048893 /nfs/dbraw/zinc/04/88/93/538048893.db2.gz CZQRITDTVFKRLG-NSHDSACASA-N 1 0 196.294 1.276 20 70 ADIDRO CCC[C@@H](O)C[NH2+]Cc1ccn(C)c1 160684243 538049128 /nfs/dbraw/zinc/04/91/28/538049128.db2.gz YGACBBPEVIDPLT-LLVKDONJSA-N 1 0 196.294 1.276 20 70 ADIDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccn(C)c1 160682105 538049277 /nfs/dbraw/zinc/04/92/77/538049277.db2.gz KFCXIAMSWBJLPO-GXSJLCMTSA-N 1 0 178.279 1.771 20 70 ADIDRO CC[N@H+](CCCO)[C@@H](C)CCOC 160729403 538049381 /nfs/dbraw/zinc/04/93/81/538049381.db2.gz JYAZVDLFRYCFRE-JTQLQIEISA-N 1 0 189.299 1.116 20 70 ADIDRO Cn1ccc(C[NH2+]C(C)(C)CCO)c1 160687520 538049422 /nfs/dbraw/zinc/04/94/22/538049422.db2.gz DUSGIYUDONKKLU-UHFFFAOYSA-N 1 0 196.294 1.276 20 70 ADIDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccn(C)c1 160682220 538049454 /nfs/dbraw/zinc/04/94/54/538049454.db2.gz KFCXIAMSWBJLPO-KOLCDFICSA-N 1 0 178.279 1.771 20 70 ADIDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccn(C)c1 160682363 538049534 /nfs/dbraw/zinc/04/95/34/538049534.db2.gz KFCXIAMSWBJLPO-ONGXEEELSA-N 1 0 178.279 1.771 20 70 ADIDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccoc1 160677257 538049693 /nfs/dbraw/zinc/04/96/93/538049693.db2.gz XMTZJQSQMPAJKF-YUMQZZPRSA-N 1 0 196.250 1.194 20 70 ADIDRO COCC(C)(C)[NH2+]Cc1ccn(C)c1 160683469 538049823 /nfs/dbraw/zinc/04/98/23/538049823.db2.gz VDOFTUSZLSIHLL-UHFFFAOYSA-N 1 0 196.294 1.540 20 70 ADIDRO CC[C@H]([NH2+][C@@H](C)CC(N)=O)C1CC1 160673348 538049835 /nfs/dbraw/zinc/04/98/35/538049835.db2.gz WKWLZTCXWWCVPO-CBAPKCEASA-N 1 0 184.283 1.029 20 70 ADIDRO CCC[C@H](O)C[NH2+]Cc1ccn(C)c1 160684135 538049888 /nfs/dbraw/zinc/04/98/88/538049888.db2.gz YGACBBPEVIDPLT-NSHDSACASA-N 1 0 196.294 1.276 20 70 ADIDRO CC(C)C[C@H](C)[NH2+][C@H](C)CC(N)=O 160678752 538049959 /nfs/dbraw/zinc/04/99/59/538049959.db2.gz VCLDVIMMGBBBMO-DTWKUNHWSA-N 1 0 186.299 1.275 20 70 ADIDRO CC[C@H](CCO)[NH2+]Cc1ccn(C)c1 160686887 538049996 /nfs/dbraw/zinc/04/99/96/538049996.db2.gz FOKBKWFVVJTLJJ-LLVKDONJSA-N 1 0 196.294 1.276 20 70 ADIDRO CC[N@H+](CCCO)[C@H](C)CCOC 160729521 538050004 /nfs/dbraw/zinc/05/00/04/538050004.db2.gz JYAZVDLFRYCFRE-SNVBAGLBSA-N 1 0 189.299 1.116 20 70 ADIDRO CC(C)C[C@H](C)[NH2+][C@@H](C)CC(N)=O 160678494 538050063 /nfs/dbraw/zinc/05/00/63/538050063.db2.gz VCLDVIMMGBBBMO-IUCAKERBSA-N 1 0 186.299 1.275 20 70 ADIDRO CC[C@@H](CCO)[NH2+]Cc1ccn(C)c1 160686771 538050136 /nfs/dbraw/zinc/05/01/36/538050136.db2.gz FOKBKWFVVJTLJJ-NSHDSACASA-N 1 0 196.294 1.276 20 70 ADIDRO Cn1ccc(C[NH2+]CC2(O)CCC2)c1 160683631 538050273 /nfs/dbraw/zinc/05/02/73/538050273.db2.gz QGXWINNDYNSJLN-UHFFFAOYSA-N 1 0 194.278 1.030 20 70 ADIDRO CCCC[C@@H](C)[NH2+][C@H](C)CC(N)=O 160678097 538050631 /nfs/dbraw/zinc/05/06/31/538050631.db2.gz HHVICARNPYZWFN-RKDXNWHRSA-N 1 0 186.299 1.419 20 70 ADIDRO CC(C)C[C@@H](C)[NH2+][C@H](C)CC(N)=O 160678623 538050915 /nfs/dbraw/zinc/05/09/15/538050915.db2.gz VCLDVIMMGBBBMO-RKDXNWHRSA-N 1 0 186.299 1.275 20 70 ADIDRO CC(C)C[C@@H](C)[NH2+][C@@H](C)CC(N)=O 160678364 538051039 /nfs/dbraw/zinc/05/10/39/538051039.db2.gz VCLDVIMMGBBBMO-BDAKNGLRSA-N 1 0 186.299 1.275 20 70 ADIDRO CCCC[C@@H](C)[NH2+][C@@H](C)CC(N)=O 160677834 538051049 /nfs/dbraw/zinc/05/10/49/538051049.db2.gz HHVICARNPYZWFN-BDAKNGLRSA-N 1 0 186.299 1.419 20 70 ADIDRO C[C@H]([NH2+][C@H](C)CC(N)=O)c1ccoc1 160677378 538051178 /nfs/dbraw/zinc/05/11/78/538051178.db2.gz XMTZJQSQMPAJKF-SFYZADRCSA-N 1 0 196.250 1.194 20 70 ADIDRO CC[C@H]([NH2+][C@H](C)CC(N)=O)C1CC1 160673613 538051527 /nfs/dbraw/zinc/05/15/27/538051527.db2.gz WKWLZTCXWWCVPO-APPZFPTMSA-N 1 0 184.283 1.029 20 70 ADIDRO C[C@@H](CC(N)=O)[NH2+][C@H](C)c1ccoc1 160677520 538051555 /nfs/dbraw/zinc/05/15/55/538051555.db2.gz XMTZJQSQMPAJKF-JGVFFNPUSA-N 1 0 196.250 1.194 20 70 ADIDRO CC[C@@H]([NH2+][C@@H](C)CC(N)=O)C1CC1 160673499 538051731 /nfs/dbraw/zinc/05/17/31/538051731.db2.gz WKWLZTCXWWCVPO-IONNQARKSA-N 1 0 184.283 1.029 20 70 ADIDRO COc1cc(C[NH2+]CCO)ccc1C 161130713 538053572 /nfs/dbraw/zinc/05/35/72/538053572.db2.gz XKJKHPCTYXRSOM-UHFFFAOYSA-N 1 0 195.262 1.086 20 70 ADIDRO C[C@H]1CCC[C@@H](C[NH2+][C@H](C)CO)C1 161239856 538057318 /nfs/dbraw/zinc/05/73/18/538057318.db2.gz ZFVSTQDMJAOVHE-HBNTYKKESA-N 1 0 185.311 1.783 20 70 ADIDRO C[C@H](O)CC[N@H+](C)Cc1ccco1 161284297 538057416 /nfs/dbraw/zinc/05/74/16/538057416.db2.gz RMWYRZATCWZZOS-VIFPVBQESA-N 1 0 183.251 1.482 20 70 ADIDRO CC(C)C[N@H+](C)Cc1ccc(CO)o1 161157065 538057447 /nfs/dbraw/zinc/05/74/47/538057447.db2.gz LREUSBKKTQIABV-UHFFFAOYSA-N 1 0 197.278 1.860 20 70 ADIDRO CC[N@H+](CCCO)Cc1ccsc1 161300930 538057762 /nfs/dbraw/zinc/05/77/62/538057762.db2.gz VFDFIHATVDGISB-UHFFFAOYSA-N 1 0 199.319 1.952 20 70 ADIDRO CC[C@H](C)C[NH2+]CC1(O)CCC1 161498416 538057996 /nfs/dbraw/zinc/05/79/96/538057996.db2.gz XDJDPMCLNPZINQ-VIFPVBQESA-N 1 0 171.284 1.537 20 70 ADIDRO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCOC1 161493058 538058227 /nfs/dbraw/zinc/05/82/27/538058227.db2.gz WSDHJZOUOCKUPN-KXUCPTDWSA-N 1 0 169.268 1.269 20 70 ADIDRO CC[C@@H](C)C[NH2+]C[C@H](O)C(C)C 161503249 538058260 /nfs/dbraw/zinc/05/82/60/538058260.db2.gz LNLJGCWCJWRTFG-ZJUUUORDSA-N 1 0 173.300 1.639 20 70 ADIDRO C[C@@H]1CCC[C@H](C[NH2+][C@H](C)CO)C1 161239488 538058600 /nfs/dbraw/zinc/05/86/00/538058600.db2.gz ZFVSTQDMJAOVHE-MXWKQRLJSA-N 1 0 185.311 1.783 20 70 ADIDRO C[N@H+](Cc1ccc(CO)o1)C1CCC1 161283445 538058662 /nfs/dbraw/zinc/05/86/62/538058662.db2.gz MBSAWHSRFIAYAC-UHFFFAOYSA-N 1 0 195.262 1.756 20 70 ADIDRO CC[C@@H](C)C[NH2+]CC1(O)CCC1 161498307 538058707 /nfs/dbraw/zinc/05/87/07/538058707.db2.gz XDJDPMCLNPZINQ-SECBINFHSA-N 1 0 171.284 1.537 20 70 ADIDRO C[C@H](O)CC[N@H+](C)Cc1cccs1 161284672 538058720 /nfs/dbraw/zinc/05/87/20/538058720.db2.gz FTGGAUZXEZMZQG-VIFPVBQESA-N 1 0 199.319 1.951 20 70 ADIDRO CC[C@@H](C)C[NH2+][C@H](CC)CCO 161510983 538058870 /nfs/dbraw/zinc/05/88/70/538058870.db2.gz MPNYKTIVYGDCSG-NXEZZACHSA-N 1 0 173.300 1.783 20 70 ADIDRO CC[C@@H](C)C[NH2+]C[C@@H](O)C(C)C 161503471 538059050 /nfs/dbraw/zinc/05/90/50/538059050.db2.gz LNLJGCWCJWRTFG-NXEZZACHSA-N 1 0 173.300 1.639 20 70 ADIDRO OCC[NH2+]Cc1cc2ccccc2[nH]1 161134696 538059173 /nfs/dbraw/zinc/05/91/73/538059173.db2.gz CBQKLRWXUKONLA-UHFFFAOYSA-N 1 0 190.246 1.250 20 70 ADIDRO Cc1ccc(C[NH2+]CCO)cc1Cl 161135480 538059400 /nfs/dbraw/zinc/05/94/00/538059400.db2.gz CNHOGUMLVLZIRB-UHFFFAOYSA-N 1 0 199.681 1.730 20 70 ADIDRO CCC[C@H](O)C[NH2+]C[C@@H](C)CC 161500749 538059423 /nfs/dbraw/zinc/05/94/23/538059423.db2.gz CVGUCLDNCKGKEI-UWVGGRQHSA-N 1 0 173.300 1.783 20 70 ADIDRO CC[C@H](C)C[NH2+]C[C@@H](O)C(C)C 161503590 538059713 /nfs/dbraw/zinc/05/97/13/538059713.db2.gz LNLJGCWCJWRTFG-VHSXEESVSA-N 1 0 173.300 1.639 20 70 ADIDRO C[N@H+](Cc1ccc(CO)o1)C1CC1 161158715 538059794 /nfs/dbraw/zinc/05/97/94/538059794.db2.gz SBXXHSUVJSAPRN-UHFFFAOYSA-N 1 0 181.235 1.366 20 70 ADIDRO CCC[C@@H](O)C[NH2+]C[C@H](C)CC 161501120 538060116 /nfs/dbraw/zinc/06/01/16/538060116.db2.gz CVGUCLDNCKGKEI-NXEZZACHSA-N 1 0 173.300 1.783 20 70 ADIDRO C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCOC1 161493306 538060400 /nfs/dbraw/zinc/06/04/00/538060400.db2.gz WSDHJZOUOCKUPN-UTLUCORTSA-N 1 0 169.268 1.269 20 70 ADIDRO CC[N@H+](CCCO)Cc1ccc(C)o1 161299585 538060535 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