smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(O)c1 ZINC000877466777 1166043333 /nfs/dbraw/zinc/04/33/33/1166043333.db2.gz QKVOJKCHSUIGHR-NJZAAPMLSA-N 1 1 274.364 1.786 20 10 CDCDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(N)cc1 ZINC001120677812 912323576 /nfs/dbraw/zinc/32/35/76/912323576.db2.gz XIPXWTTXWMINEX-SWLSCSKDSA-N 1 1 290.411 1.750 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCC[C@H]1O ZINC001233483459 912825813 /nfs/dbraw/zinc/82/58/13/912825813.db2.gz ZWODMHXQDHMHLW-MWLCHTKSSA-N 1 1 267.325 1.396 20 10 CDCDMO Oc1cccc(Cl)c1C[N@@H+]1CCc2nncn2CC1 ZINC001140337778 895817337 /nfs/dbraw/zinc/81/73/37/895817337.db2.gz DRPOHPKCCDQFQF-UHFFFAOYSA-N 1 1 278.743 1.695 20 10 CDCDMO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140742633 898160106 /nfs/dbraw/zinc/16/01/06/898160106.db2.gz SUDHOVRSDHFPAO-CQSZACIVSA-N 1 1 283.299 1.493 20 10 CDCDMO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140742633 898160115 /nfs/dbraw/zinc/16/01/15/898160115.db2.gz SUDHOVRSDHFPAO-CQSZACIVSA-N 1 1 283.299 1.493 20 10 CDCDMO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142508918 908833148 /nfs/dbraw/zinc/83/31/48/908833148.db2.gz PTGBJIVODQCIME-BDAKNGLRSA-N 1 1 257.280 1.873 20 10 CDCDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142508918 908833164 /nfs/dbraw/zinc/83/31/64/908833164.db2.gz PTGBJIVODQCIME-BDAKNGLRSA-N 1 1 257.280 1.873 20 10 CDCDMO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[N@H+]2CC[C@H]2C1 ZINC001179687057 915927199 /nfs/dbraw/zinc/92/71/99/915927199.db2.gz MBKXMEZUTAPOSW-KMOQFTEPSA-N 1 1 274.320 1.028 20 10 CDCDMO COc1cc(O)c(C[N@@H+]2CCOC[C@@H](O)C2)c(Cl)c1 ZINC001236799627 916454883 /nfs/dbraw/zinc/45/48/83/916454883.db2.gz TUMYBNJBEZLWFR-VIFPVBQESA-N 1 1 287.743 1.247 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CCOC[C@@H](O)C2)c(Cl)c1 ZINC001236799627 916454888 /nfs/dbraw/zinc/45/48/88/916454888.db2.gz TUMYBNJBEZLWFR-VIFPVBQESA-N 1 1 287.743 1.247 20 10 CDCDMO COc1cc(C)c(C[N@H+]2CC[C@](C)(O)C2)c(O)c1 ZINC001236809491 916533120 /nfs/dbraw/zinc/53/31/20/916533120.db2.gz WHMXXINNMQMWSI-AWEZNQCLSA-N 1 1 251.326 1.666 20 10 CDCDMO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@@](C)(O)C2)c1O ZINC001237682116 917550344 /nfs/dbraw/zinc/55/03/44/917550344.db2.gz ZDCIYVBPHSUHFW-AWEZNQCLSA-N 1 1 285.771 1.937 20 10 CDCDMO COc1cc(C[N@H+]2C[C@H](O)C[C@H]2C)cc(O)c1O ZINC001204341921 917879146 /nfs/dbraw/zinc/87/91/46/917879146.db2.gz IUNLXUHPBBOKJY-PSASIEDQSA-N 1 1 253.298 1.062 20 10 CDCDMO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138130525 936475636 /nfs/dbraw/zinc/47/56/36/936475636.db2.gz BXFUZHRFXJMIJI-GFCCVEGCSA-N 1 1 266.316 1.584 20 10 CDCDMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138130525 936475639 /nfs/dbraw/zinc/47/56/39/936475639.db2.gz BXFUZHRFXJMIJI-GFCCVEGCSA-N 1 1 266.316 1.584 20 10 CDCDMO C[C@@]1([NH3+])CCCN(Cc2ccc(O)c(O)c2)CC1 ZINC001205265176 918462573 /nfs/dbraw/zinc/46/25/73/918462573.db2.gz OAOHNFHGWSEHCR-CQSZACIVSA-N 1 1 250.342 1.801 20 10 CDCDMO CN1CCCc2cc(C[N@H+]3CCC[C@H]3C(N)=O)ccc21 ZINC001138354053 936525049 /nfs/dbraw/zinc/52/50/49/936525049.db2.gz SSBGYXAGQSRVSE-HNNXBMFYSA-N 1 1 273.380 1.519 20 10 CDCDMO CC[N@@H+](Cc1ccccc1O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001138468926 936539685 /nfs/dbraw/zinc/53/96/85/936539685.db2.gz HNYYCQTVWAACOC-UHFFFAOYSA-N 1 1 289.335 1.924 20 10 CDCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1O ZINC001140178683 936684340 /nfs/dbraw/zinc/68/43/40/936684340.db2.gz UNZWRGFDAWFEPR-QWHCGFSZSA-N 1 1 253.317 1.914 20 10 CDCDMO C[C@]1(O)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660481 936736522 /nfs/dbraw/zinc/73/65/22/936736522.db2.gz SXQYAXPYPPCLAJ-INIZCTEOSA-N 1 1 294.370 1.619 20 10 CDCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140741833 936748122 /nfs/dbraw/zinc/74/81/22/936748122.db2.gz DHYGJMOZZFLREX-LBPRGKRZSA-N 1 1 279.336 1.791 20 10 CDCDMO COc1cc(O)c(CN2CCC[N@@H+](C)CC2)c(OC)c1 ZINC001141031734 936795556 /nfs/dbraw/zinc/79/55/56/936795556.db2.gz JCDVZQJBYAGPRJ-UHFFFAOYSA-N 1 1 280.368 1.547 20 10 CDCDMO COc1cc(O)c(C[N@@H+]2CCCN(C)CC2)c(OC)c1 ZINC001141031734 936795558 /nfs/dbraw/zinc/79/55/58/936795558.db2.gz JCDVZQJBYAGPRJ-UHFFFAOYSA-N 1 1 280.368 1.547 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CCCN(C)CC2)c(OC)c1 ZINC001141031734 936795560 /nfs/dbraw/zinc/79/55/60/936795560.db2.gz JCDVZQJBYAGPRJ-UHFFFAOYSA-N 1 1 280.368 1.547 20 10 CDCDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)C[C@H]2CO)c(OC)c1 ZINC001141032332 936795608 /nfs/dbraw/zinc/79/56/08/936795608.db2.gz YOJCVUVKEOBVFK-QWRGUYRKSA-N 1 1 281.352 1.612 20 10 CDCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001137838483 923020667 /nfs/dbraw/zinc/02/06/67/923020667.db2.gz BMCARUJUKCAFAR-NSHDSACASA-N 1 1 276.315 1.960 20 10 CDCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001137838483 923020678 /nfs/dbraw/zinc/02/06/78/923020678.db2.gz BMCARUJUKCAFAR-NSHDSACASA-N 1 1 276.315 1.960 20 10 CDCDMO COc1cc(C(=O)NC2C[NH+](C(C)(C)C)C2)cc(OC)n1 ZINC001192422257 923064646 /nfs/dbraw/zinc/06/46/46/923064646.db2.gz ZWKNQKMQHCRKJP-UHFFFAOYSA-N 1 1 293.367 1.311 20 10 CDCDMO CC1(O)C[NH+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074418 936809427 /nfs/dbraw/zinc/80/94/27/936809427.db2.gz HQKSMZDRAIUJFF-UHFFFAOYSA-N 1 1 272.392 1.952 20 10 CDCDMO COC(=O)[C@]1(F)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156670 936821357 /nfs/dbraw/zinc/82/13/57/936821357.db2.gz QDGGPEIINZRTDY-ZDUSSCGKSA-N 1 1 269.272 1.185 20 10 CDCDMO COC(=O)[C@]1(F)CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156670 936821359 /nfs/dbraw/zinc/82/13/59/936821359.db2.gz QDGGPEIINZRTDY-ZDUSSCGKSA-N 1 1 269.272 1.185 20 10 CDCDMO Oc1cc2c(cc1O)C[N@H+](Cc1cn[nH]c1)CCC2 ZINC001203099189 936823098 /nfs/dbraw/zinc/82/30/98/936823098.db2.gz LDNXGIPCALGUEM-UHFFFAOYSA-N 1 1 259.309 1.769 20 10 CDCDMO Oc1cc2c(cc1O)C[N@@H+](Cc1cn[nH]c1)CCC2 ZINC001203099189 936823099 /nfs/dbraw/zinc/82/30/99/936823099.db2.gz LDNXGIPCALGUEM-UHFFFAOYSA-N 1 1 259.309 1.769 20 10 CDCDMO Oc1ccc(O)c(C[N@H+]2CCCC3(C2)OCCO3)c1 ZINC001141161000 936823211 /nfs/dbraw/zinc/82/32/11/936823211.db2.gz MNVQPPAXZCMAGS-UHFFFAOYSA-N 1 1 265.309 1.437 20 10 CDCDMO C[C@@]1(CO)CC[N@H+](Cc2cc(F)c(F)cc2O)C[C@H]1O ZINC001142508727 937024670 /nfs/dbraw/zinc/02/46/70/937024670.db2.gz JOXZWIPFEXZZCC-KGLIPLIRSA-N 1 1 287.306 1.236 20 10 CDCDMO C[C@@]1(CO)CC[N@@H+](Cc2cc(F)c(F)cc2O)C[C@H]1O ZINC001142508727 937024673 /nfs/dbraw/zinc/02/46/73/937024673.db2.gz JOXZWIPFEXZZCC-KGLIPLIRSA-N 1 1 287.306 1.236 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCC[C@]1(C)O ZINC001144504373 931865241 /nfs/dbraw/zinc/86/52/41/931865241.db2.gz RHLFCZIEIBPQAH-BMIGLBTASA-N 1 1 281.352 1.786 20 10 CDCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515674 931881021 /nfs/dbraw/zinc/88/10/21/931881021.db2.gz VBYVBYFHDSZQKH-LLVKDONJSA-N 1 1 267.325 1.803 20 10 CDCDMO Cc1ccc(C)c(C[N@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c1O ZINC001275965976 932175082 /nfs/dbraw/zinc/17/50/82/932175082.db2.gz WSNAVBXEPRFDEB-OKILXGFUSA-N 1 1 276.380 1.524 20 10 CDCDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)[C@@H](C)C1 ZINC001148225062 932674374 /nfs/dbraw/zinc/67/43/74/932674374.db2.gz CUYGALHDZJLCNT-AAEUAGOBSA-N 1 1 292.379 1.946 20 10 CDCDMO CCc1cccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000692091920 934381256 /nfs/dbraw/zinc/38/12/56/934381256.db2.gz PRISCDHCCIPLNM-CYBMUJFWSA-N 1 1 283.393 1.574 20 10 CDCDMO CCc1cccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000692091920 934381265 /nfs/dbraw/zinc/38/12/65/934381265.db2.gz PRISCDHCCIPLNM-CYBMUJFWSA-N 1 1 283.393 1.574 20 10 CDCDMO COc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c1O ZINC001203584361 939694215 /nfs/dbraw/zinc/69/42/15/939694215.db2.gz AAJOLTGTKAAZQF-NWDGAFQWSA-N 1 1 269.316 1.696 20 10 CDCDMO CCOc1cccc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1O ZINC001203610174 939695828 /nfs/dbraw/zinc/69/58/28/939695828.db2.gz XUNAFSKOIJPFJI-OLZOCXBDSA-N 1 1 290.363 1.311 20 10 CDCDMO COc1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(O)c1 ZINC001203621220 939697042 /nfs/dbraw/zinc/69/70/42/939697042.db2.gz PTJPSUPYYJBYEW-CQSZACIVSA-N 1 1 292.379 1.307 20 10 CDCDMO COCCCN1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203627497 939697924 /nfs/dbraw/zinc/69/79/24/939697924.db2.gz HASACAXQQDAMTP-UHFFFAOYSA-N 1 1 294.395 1.555 20 10 CDCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)CC12CC2 ZINC001203635388 939698917 /nfs/dbraw/zinc/69/89/17/939698917.db2.gz RYNPDLSLPIMOOC-CYBMUJFWSA-N 1 1 291.347 1.786 20 10 CDCDMO CCOC(=O)C1(F)CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203879315 939710871 /nfs/dbraw/zinc/71/08/71/939710871.db2.gz OCUXMZZUKIGPCV-UHFFFAOYSA-N 1 1 297.326 1.965 20 10 CDCDMO CN1C(=O)CC[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001203883737 939712013 /nfs/dbraw/zinc/71/20/13/939712013.db2.gz MWBRHPMEMZCIOB-STQMWFEESA-N 1 1 290.363 1.541 20 10 CDCDMO C[N@@H+](Cc1ccc(O)cc1O)[C@H]1CCC2(C1)OCCO2 ZINC001204277356 939750721 /nfs/dbraw/zinc/75/07/21/939750721.db2.gz BFLAXITWUWZSQZ-LBPRGKRZSA-N 1 1 279.336 1.825 20 10 CDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)C[C@@]1(C)O ZINC001204276539 939751350 /nfs/dbraw/zinc/75/13/50/939751350.db2.gz MMIXXIWHJZEIBC-QMTHXVAHSA-N 1 1 251.326 1.691 20 10 CDCDMO C[N@@H+](CCC1OCCO1)Cc1ccc(O)cc1O ZINC001204278676 939751421 /nfs/dbraw/zinc/75/14/21/939751421.db2.gz HWXNEQVTXPMNNQ-UHFFFAOYSA-N 1 1 253.298 1.293 20 10 CDCDMO Cn1ncc2c1C[N@H+](Cc1ccc(O)cc1O)CC2 ZINC001204281567 939752248 /nfs/dbraw/zinc/75/22/48/939752248.db2.gz WJTIWSHHROKTNA-UHFFFAOYSA-N 1 1 259.309 1.390 20 10 CDCDMO Cn1ncc2c1C[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001204281567 939752250 /nfs/dbraw/zinc/75/22/50/939752250.db2.gz WJTIWSHHROKTNA-UHFFFAOYSA-N 1 1 259.309 1.390 20 10 CDCDMO CNC(=O)CC[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001204327039 939756492 /nfs/dbraw/zinc/75/64/92/939756492.db2.gz MAZHDTNQASSRNL-UHFFFAOYSA-N 1 1 275.396 1.855 20 10 CDCDMO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001205241286 939841213 /nfs/dbraw/zinc/84/12/13/939841213.db2.gz SJWQGBZTICFOIK-AWEZNQCLSA-N 1 1 286.322 1.346 20 10 CDCDMO [NH3+][C@H]1C[C@H](F)CN(Cc2ccc(F)c(F)c2O)C1 ZINC001206437713 940039986 /nfs/dbraw/zinc/03/99/86/940039986.db2.gz YYZGSWOSKNJPDP-IUCAKERBSA-N 1 1 260.259 1.542 20 10 CDCDMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC000190059456 941346229 /nfs/dbraw/zinc/34/62/29/941346229.db2.gz NPCMFAJIIIHOTE-GWCFXTLKSA-N 1 1 251.326 1.604 20 10 CDCDMO OC[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1O ZINC001231586157 942935902 /nfs/dbraw/zinc/93/59/02/942935902.db2.gz CGOZMEVPLZVLCD-WBMJQRKESA-N 1 1 273.332 1.330 20 10 CDCDMO COc1cc(C[N@H+]2CCC[C@@H](O)C2)c(O)cc1O ZINC001231635334 942947333 /nfs/dbraw/zinc/94/73/33/942947333.db2.gz WSPYWVIUSIQZKH-SNVBAGLBSA-N 1 1 253.298 1.063 20 10 CDCDMO COc1cc(C[N@H+]2CCC[C@](O)(CF)CC2)c(O)cc1O ZINC001231634420 942949681 /nfs/dbraw/zinc/94/96/81/942949681.db2.gz MROOQBFSPMJQIB-OAHLLOKOSA-N 1 1 299.342 1.793 20 10 CDCDMO COc1cc(C[N@@H+](C)[C@@H]2CCCOC2)c(O)cc1O ZINC001231641069 942955994 /nfs/dbraw/zinc/95/59/94/942955994.db2.gz YSRZGLQHSNHKNK-LLVKDONJSA-N 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/nfs/dbraw/zinc/98/90/71/619989071.db2.gz HMDQTDXGEPKJRF-LBPRGKRZSA-N 1 1 292.379 1.890 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1O ZINC000897684436 621072118 /nfs/dbraw/zinc/07/21/18/621072118.db2.gz OYSIBEFBCCBQRY-PRHODGIISA-N 1 1 286.169 1.967 20 10 CDCDMO CCOc1cccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC000897684048 621072481 /nfs/dbraw/zinc/07/24/81/621072481.db2.gz JXGBVSSGDVOKPB-CMPLNLGQSA-N 1 1 251.326 1.604 20 10 CDCDMO CN(C)c1ccc(C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000897788979 621123806 /nfs/dbraw/zinc/12/38/06/621123806.db2.gz CWBPGEYQZXZJJP-UHFFFAOYSA-N 1 1 273.380 1.559 20 10 CDCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000902525728 624926744 /nfs/dbraw/zinc/92/67/44/624926744.db2.gz YYWCZDIUUGKCHR-GFCCVEGCSA-N 1 1 298.408 1.119 20 10 CDCDMO CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910951106 629115662 /nfs/dbraw/zinc/11/56/62/629115662.db2.gz BHPNSAWIJWDKMJ-ZDUSSCGKSA-N 1 1 278.352 1.588 20 10 CDCDMO COCC[NH2+]CCN[C@H](C)c1cc(C)ccc1O ZINC000817964826 633057648 /nfs/dbraw/zinc/05/76/48/633057648.db2.gz KLPJZISKBZDWCP-GFCCVEGCSA-N 1 1 252.358 1.587 20 10 CDCDMO CCc1cccc(C[N@H+]2CCO[C@@H](COC)C2)c1O ZINC000705848749 683801563 /nfs/dbraw/zinc/80/15/63/683801563.db2.gz NGNXHSHXNJHAGV-CQSZACIVSA-N 1 1 265.353 1.802 20 10 CDCDMO COC[C@@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000211444952 683865411 /nfs/dbraw/zinc/86/54/11/683865411.db2.gz POFULJBYBDNVSX-LLVKDONJSA-N 1 1 251.326 1.869 20 10 CDCDMO CCc1cccc(C[N@@H+]2CCOC[C@@H]2CC(=O)OC)c1O ZINC000848912832 679722601 /nfs/dbraw/zinc/72/26/01/679722601.db2.gz XLVWJAQFURMVHW-AWEZNQCLSA-N 1 1 293.363 1.719 20 10 CDCDMO CCc1cccc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)c1O ZINC000848912832 679722604 /nfs/dbraw/zinc/72/26/04/679722604.db2.gz XLVWJAQFURMVHW-AWEZNQCLSA-N 1 1 293.363 1.719 20 10 CDCDMO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1c(O)cccc1F ZINC000886532231 679744580 /nfs/dbraw/zinc/74/45/80/679744580.db2.gz GGTFUUROTHCGNJ-ZANVPECISA-N 1 1 279.315 1.649 20 10 CDCDMO COc1cccc(O)c1C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000817412357 679749604 /nfs/dbraw/zinc/74/96/04/679749604.db2.gz JDCZQJXRGZYMEC-NSHDSACASA-N 1 1 281.352 1.373 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000817412357 679749605 /nfs/dbraw/zinc/74/96/05/679749605.db2.gz JDCZQJXRGZYMEC-NSHDSACASA-N 1 1 281.352 1.373 20 10 CDCDMO c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCC[NH2+]C1 ZINC000841033829 679752339 /nfs/dbraw/zinc/75/23/39/679752339.db2.gz ZXBQLEYDQZNKEW-MRXNPFEDSA-N 1 1 289.423 1.612 20 10 CDCDMO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000862224040 679766354 /nfs/dbraw/zinc/76/63/54/679766354.db2.gz HKNJXIVSGVTIJT-JTQLQIEISA-N 1 1 256.296 1.597 20 10 CDCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](O)C2)cc1F ZINC000862224040 679766356 /nfs/dbraw/zinc/76/63/56/679766356.db2.gz HKNJXIVSGVTIJT-JTQLQIEISA-N 1 1 256.296 1.597 20 10 CDCDMO COCC[C@H]1COCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000812300554 679802033 /nfs/dbraw/zinc/80/20/33/679802033.db2.gz YEISYNBKDLJXAS-AWEZNQCLSA-N 1 1 295.379 1.947 20 10 CDCDMO COC[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000933331192 679805294 /nfs/dbraw/zinc/80/52/94/679805294.db2.gz LJTDSAUIPJUPBM-HNNXBMFYSA-N 1 1 264.369 1.600 20 10 CDCDMO COC[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000933331192 679805296 /nfs/dbraw/zinc/80/52/96/679805296.db2.gz LJTDSAUIPJUPBM-HNNXBMFYSA-N 1 1 264.369 1.600 20 10 CDCDMO CN(C)c1cc(F)c(C[N@H+](C)C2(CO)CC2)cc1F ZINC000862418703 679826951 /nfs/dbraw/zinc/82/69/51/679826951.db2.gz RGRBOJLKHALJLA-UHFFFAOYSA-N 1 1 270.323 1.988 20 10 CDCDMO CN(C)c1cc(F)c(C[N@@H+](C)C2(CO)CC2)cc1F ZINC000862418703 679826954 /nfs/dbraw/zinc/82/69/54/679826954.db2.gz RGRBOJLKHALJLA-UHFFFAOYSA-N 1 1 270.323 1.988 20 10 CDCDMO COc1cccc(CN(C)C[C@@H]2CCC[N@H+]2C)c1O ZINC000211639723 679817159 /nfs/dbraw/zinc/81/71/59/679817159.db2.gz WOEUHVVZZSFXLZ-ZDUSSCGKSA-N 1 1 264.369 1.927 20 10 CDCDMO COc1cccc(C[N@H+](C)C[C@@H]2CCCN2C)c1O ZINC000211639723 679817160 /nfs/dbraw/zinc/81/71/60/679817160.db2.gz WOEUHVVZZSFXLZ-ZDUSSCGKSA-N 1 1 264.369 1.927 20 10 CDCDMO COc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C)c1O ZINC000211639723 679817162 /nfs/dbraw/zinc/81/71/62/679817162.db2.gz WOEUHVVZZSFXLZ-ZDUSSCGKSA-N 1 1 264.369 1.927 20 10 CDCDMO Cc1cccc(O)c1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000876965518 679817978 /nfs/dbraw/zinc/81/79/78/679817978.db2.gz DZOZYSMANWIDMQ-CYBMUJFWSA-N 1 1 264.369 1.247 20 10 CDCDMO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1c(O)cccc1F ZINC000886612233 679849919 /nfs/dbraw/zinc/84/99/19/679849919.db2.gz GQOVSEBCNJKJDO-SNVBAGLBSA-N 1 1 294.330 1.356 20 10 CDCDMO CC[N@@H+](CC(N)=O)Cc1cc(Cl)c(C)cc1O ZINC000825671780 679860771 /nfs/dbraw/zinc/86/07/71/679860771.db2.gz PFXFTNBOENPYKX-UHFFFAOYSA-N 1 1 256.733 1.661 20 10 CDCDMO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883132988 679871110 /nfs/dbraw/zinc/87/11/10/679871110.db2.gz LJXOZCXRWXTNLH-RNCFNFMXSA-N 1 1 287.306 1.812 20 10 CDCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1COCCO1 ZINC000790948586 681196733 /nfs/dbraw/zinc/19/67/33/681196733.db2.gz LBTNDIJLWVZVMQ-QMMMGPOBSA-N 1 1 275.707 1.690 20 10 CDCDMO CN(Cc1cccc(Br)c1O)[C@@H]1CC[NH2+]C1 ZINC000843049166 681817110 /nfs/dbraw/zinc/81/71/10/681817110.db2.gz HESULECETVKOHB-SNVBAGLBSA-N 1 1 285.185 1.948 20 10 CDCDMO COc1c(O)c(C[N@H+]2C[C@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775103447 681934810 /nfs/dbraw/zinc/93/48/10/681934810.db2.gz XZMIYRPTVSLQHY-WCBMZHEXSA-N 1 1 282.296 1.264 20 10 CDCDMO COCC[N@@H+](CC(=O)N(C)C)Cc1cccc(C)c1O ZINC000179751375 682159486 /nfs/dbraw/zinc/15/94/86/682159486.db2.gz ZDRVXVHPIANITK-UHFFFAOYSA-N 1 1 280.368 1.237 20 10 CDCDMO CC(C)[C@@](C)(CN)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000923296432 682232497 /nfs/dbraw/zinc/23/24/97/682232497.db2.gz RUETWORSSDBMBX-QGZVFWFLSA-N 1 1 291.439 1.986 20 10 CDCDMO Cc1cc(O)c(C[N@H+]2CC[C@](F)(CO)C2)cc1C ZINC000802660598 682233429 /nfs/dbraw/zinc/23/34/29/682233429.db2.gz QSULHISYQIVFKV-CQSZACIVSA-N 1 1 253.317 1.915 20 10 CDCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000793710333 682309772 /nfs/dbraw/zinc/30/97/72/682309772.db2.gz RWBJNEWVGXJEMI-CYBMUJFWSA-N 1 1 297.420 1.876 20 10 CDCDMO C[C@](O)(C[NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000708437195 682318653 /nfs/dbraw/zinc/31/86/53/682318653.db2.gz PRDVNVNGESMKAV-ZDUSSCGKSA-N 1 1 257.280 1.921 20 10 CDCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)nn2)c1 ZINC000389833164 682386692 /nfs/dbraw/zinc/38/66/92/682386692.db2.gz JYGMQFYLJYKAKB-SECBINFHSA-N 1 1 262.313 1.380 20 10 CDCDMO CC[N@@H+]1CCN(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C ZINC000780995672 682614733 /nfs/dbraw/zinc/61/47/33/682614733.db2.gz QQMPOMLBECXNTD-NSHDSACASA-N 1 1 278.352 1.572 20 10 CDCDMO CC[N@H+]1CCN(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C ZINC000780995672 682614736 /nfs/dbraw/zinc/61/47/36/682614736.db2.gz QQMPOMLBECXNTD-NSHDSACASA-N 1 1 278.352 1.572 20 10 CDCDMO CCOc1ccc(C[N@@H+](CCO)C2CCOCC2)c(O)c1 ZINC000783718288 682620137 /nfs/dbraw/zinc/62/01/37/682620137.db2.gz QDBLUCJRXGHUKB-UHFFFAOYSA-N 1 1 295.379 1.764 20 10 CDCDMO CCn1ncnc1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000793347604 682812645 /nfs/dbraw/zinc/81/26/45/682812645.db2.gz ZDJMPDYXRLAVKE-UHFFFAOYSA-N 1 1 296.758 1.955 20 10 CDCDMO Cc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(O)c1 ZINC000877515977 683133037 /nfs/dbraw/zinc/13/30/37/683133037.db2.gz AICAPHZSZHEQCR-GOEBONIOSA-N 1 1 290.407 1.996 20 10 CDCDMO COC(=O)N1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876625935 683155382 /nfs/dbraw/zinc/15/53/82/683155382.db2.gz JJLFANIVWHBXTA-UHFFFAOYSA-N 1 1 264.325 1.585 20 10 CDCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@H](F)C1)[C@@H](O)CO2 ZINC000840103646 683159091 /nfs/dbraw/zinc/15/90/91/683159091.db2.gz NIUJHEVWXKTPTL-CABZTGNLSA-N 1 1 253.273 1.362 20 10 CDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](F)C1)[C@@H](O)CO2 ZINC000840103646 683159102 /nfs/dbraw/zinc/15/91/02/683159102.db2.gz NIUJHEVWXKTPTL-CABZTGNLSA-N 1 1 253.273 1.362 20 10 CDCDMO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(Cl)cc1O ZINC000841762246 683249438 /nfs/dbraw/zinc/24/94/38/683249438.db2.gz IJKVUPKBTSQLRW-AAEUAGOBSA-N 1 1 297.830 1.942 20 10 CDCDMO Cn1ccc(CC[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000708495571 683356963 /nfs/dbraw/zinc/35/69/63/683356963.db2.gz ZJISSAKHBYJDNU-UHFFFAOYSA-N 1 1 267.279 1.736 20 10 CDCDMO CCNC(=O)[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790948163 683382400 /nfs/dbraw/zinc/38/24/00/683382400.db2.gz YQHXACUPZFFIAZ-SSDOTTSWSA-N 1 1 274.723 1.799 20 10 CDCDMO CCOc1ccc(CN2CCC([NH3+])CC2)c(O)c1 ZINC000843047757 683390166 /nfs/dbraw/zinc/39/01/66/683390166.db2.gz ZXSMGDPJWTZBTJ-UHFFFAOYSA-N 1 1 250.342 1.714 20 10 CDCDMO C[C@H]([NH3+])[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000843056786 683426649 /nfs/dbraw/zinc/42/66/49/683426649.db2.gz ZSYZTVSYIWSLCJ-QPUJVOFHSA-N 1 1 288.750 1.733 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000840921876 683626001 /nfs/dbraw/zinc/62/60/01/683626001.db2.gz HFUIFISPUOJARW-OAHLLOKOSA-N 1 1 288.395 1.270 20 10 CDCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)CO ZINC000782135910 683693062 /nfs/dbraw/zinc/69/30/62/683693062.db2.gz MBNXVHRUVDEOEK-OAHLLOKOSA-N 1 1 266.385 1.316 20 10 CDCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NC)cc1F ZINC000827867355 683858137 /nfs/dbraw/zinc/85/81/37/683858137.db2.gz GJVCVTZCLIFSDG-UHFFFAOYSA-N 1 1 281.375 1.850 20 10 CDCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)NC)cc1F ZINC000827867355 683858138 /nfs/dbraw/zinc/85/81/38/683858138.db2.gz GJVCVTZCLIFSDG-UHFFFAOYSA-N 1 1 281.375 1.850 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000840950281 683880992 /nfs/dbraw/zinc/88/09/92/683880992.db2.gz ILLGEHIFQBNTRN-GFCCVEGCSA-N 1 1 261.369 1.381 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000840950281 683880994 /nfs/dbraw/zinc/88/09/94/683880994.db2.gz ILLGEHIFQBNTRN-GFCCVEGCSA-N 1 1 261.369 1.381 20 10 CDCDMO Oc1c(F)cc(F)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000708479973 683886934 /nfs/dbraw/zinc/88/69/34/683886934.db2.gz CFYYTTUIAWVNMC-NXEZZACHSA-N 1 1 254.280 1.322 20 10 CDCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000843434888 683906156 /nfs/dbraw/zinc/90/61/56/683906156.db2.gz OAMACYLRVUEDQS-NXEZZACHSA-N 1 1 299.754 1.401 20 10 CDCDMO CCn1nc(C)c(C[NH2+]Cc2ccc(OC)cc2O)n1 ZINC000824319961 683979260 /nfs/dbraw/zinc/97/92/60/683979260.db2.gz BBERXWTVPJQAIB-UHFFFAOYSA-N 1 1 276.340 1.610 20 10 CDCDMO COc1nccc(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000823752608 684147821 /nfs/dbraw/zinc/14/78/21/684147821.db2.gz IWAXTGAQPAIMOG-UHFFFAOYSA-N 1 1 271.320 1.710 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c1 ZINC000827699120 684155368 /nfs/dbraw/zinc/15/53/68/684155368.db2.gz FFRGTTWZIBJZOE-XHDPSFHLSA-N 1 1 265.353 1.851 20 10 CDCDMO Cc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(O)c1 ZINC000877628488 684184060 /nfs/dbraw/zinc/18/40/60/684184060.db2.gz IKZQDPSNUFPMKU-JSGCOSHPSA-N 1 1 274.364 1.801 20 10 CDCDMO C[N@@H+]1CCN(C(=O)c2cccc(O)c2O)CC1(C)C ZINC000126414324 684213709 /nfs/dbraw/zinc/21/37/09/684213709.db2.gz DQFUXGPHXNVRQM-UHFFFAOYSA-N 1 1 264.325 1.264 20 10 CDCDMO C[N@H+]1CCN(C(=O)c2cccc(O)c2O)CC1(C)C ZINC000126414324 684213716 /nfs/dbraw/zinc/21/37/16/684213716.db2.gz 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/nfs/dbraw/zinc/04/26/64/685042664.db2.gz MYVKIILVJXGMNQ-KRWDZBQOSA-N 1 1 289.423 1.395 20 10 CDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@](C)(O)C3)cc2)CC1 ZINC000775734228 685042666 /nfs/dbraw/zinc/04/26/66/685042666.db2.gz MYVKIILVJXGMNQ-KRWDZBQOSA-N 1 1 289.423 1.395 20 10 CDCDMO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708535560 685158464 /nfs/dbraw/zinc/15/84/64/685158464.db2.gz MOJWSPMWPJSNLE-SDBXPKJASA-N 1 1 273.279 1.300 20 10 CDCDMO C[N@H+](CC[N+](=O)[O-])Cc1ccc(N2CCOCC2)cc1 ZINC000929184413 685709511 /nfs/dbraw/zinc/70/95/11/685709511.db2.gz GLPLEGTVDKGYOA-UHFFFAOYSA-N 1 1 279.340 1.232 20 10 CDCDMO C[N@@H+](CC[N+](=O)[O-])Cc1ccc(N2CCOCC2)cc1 ZINC000929184413 685709517 /nfs/dbraw/zinc/70/95/17/685709517.db2.gz GLPLEGTVDKGYOA-UHFFFAOYSA-N 1 1 279.340 1.232 20 10 CDCDMO Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(O)c1 ZINC000877466778 685733840 /nfs/dbraw/zinc/73/38/40/685733840.db2.gz QKVOJKCHSUIGHR-WHOFXGATSA-N 1 1 274.364 1.786 20 10 CDCDMO COc1cccc([C@H](C)[NH2+][C@H](C)c2ncnn2C)c1O ZINC000846167218 685890003 /nfs/dbraw/zinc/89/00/03/685890003.db2.gz ULGRVPJKYFYIRM-VHSXEESVSA-N 1 1 276.340 1.941 20 10 CDCDMO CC[N@H+]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841961000 685983143 /nfs/dbraw/zinc/98/31/43/685983143.db2.gz YXZFOMLZGPVBOU-UHFFFAOYSA-N 1 1 290.411 1.549 20 10 CDCDMO Cc1ccc(C[N@H+]2CCCN(C(N)=O)CC2)c(O)c1 ZINC000876658032 686072067 /nfs/dbraw/zinc/07/20/67/686072067.db2.gz WXGFLUUQHRDDDE-UHFFFAOYSA-N 1 1 263.341 1.287 20 10 CDCDMO COCCOC1C[NH+](Cc2cc(C)c(C)cc2O)C1 ZINC000779432314 686154466 /nfs/dbraw/zinc/15/44/66/686154466.db2.gz RFBCVPJXDXJLGM-UHFFFAOYSA-N 1 1 265.353 1.856 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC000827131859 686253738 /nfs/dbraw/zinc/25/37/38/686253738.db2.gz DWQNNRWXMDRRSY-GXTWGEPZSA-N 1 1 274.364 1.801 20 10 CDCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2O)[C@H]1C ZINC000787421159 686347165 /nfs/dbraw/zinc/34/71/65/686347165.db2.gz OBLBCNGZOHIZPP-GXFFZTMASA-N 1 1 279.336 1.784 20 10 CDCDMO COc1cccc(C[N@@H+]2CCc3n[nH]cc3C2)c1O ZINC000857876896 686383453 /nfs/dbraw/zinc/38/34/53/686383453.db2.gz HWPQXUOCOVLHBO-UHFFFAOYSA-N 1 1 259.309 1.682 20 10 CDCDMO COc1cccc(C[N@H+]2CCc3n[nH]cc3C2)c1O ZINC000857876896 686383464 /nfs/dbraw/zinc/38/34/64/686383464.db2.gz HWPQXUOCOVLHBO-UHFFFAOYSA-N 1 1 259.309 1.682 20 10 CDCDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CC[N@H+]1C ZINC000132925418 686596273 /nfs/dbraw/zinc/59/62/73/686596273.db2.gz NOTFZDOSTPXZEO-FZMZJTMJSA-N 1 1 261.369 1.410 20 10 CDCDMO COC[C@@H](CCO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708454649 686836478 /nfs/dbraw/zinc/83/64/78/686836478.db2.gz QEXZNHIHLUZFBN-SNVBAGLBSA-N 1 1 261.268 1.157 20 10 CDCDMO C[C@]1(C(N)=O)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000793389447 686965603 /nfs/dbraw/zinc/96/56/03/686965603.db2.gz HYYIJUDNHSXOBJ-ZDUSSCGKSA-N 1 1 286.734 1.882 20 10 CDCDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000793389447 686965608 /nfs/dbraw/zinc/96/56/08/686965608.db2.gz HYYIJUDNHSXOBJ-ZDUSSCGKSA-N 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CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](COC)C2)c1 ZINC000093529386 521146573 /nfs/dbraw/zinc/14/65/73/521146573.db2.gz RGPVGZYATFWHDT-AWEZNQCLSA-N 1 1 281.352 1.638 20 10 CDCDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](COC)C2)c1 ZINC000093529386 521146581 /nfs/dbraw/zinc/14/65/81/521146581.db2.gz RGPVGZYATFWHDT-AWEZNQCLSA-N 1 1 281.352 1.638 20 10 CDCDMO CCC[N@@H+](CC(=O)NC(=O)NC)Cc1ccccc1O ZINC000299627023 521543027 /nfs/dbraw/zinc/54/30/27/521543027.db2.gz KNYWCNCJPOQLQL-UHFFFAOYSA-N 1 1 279.340 1.060 20 10 CDCDMO COC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000292932522 522869702 /nfs/dbraw/zinc/86/97/02/522869702.db2.gz ZEXOYXQUVPLBAR-OAHLLOKOSA-N 1 1 278.396 1.908 20 10 CDCDMO COC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000292932522 522869713 /nfs/dbraw/zinc/86/97/13/522869713.db2.gz ZEXOYXQUVPLBAR-OAHLLOKOSA-N 1 1 278.396 1.908 20 10 CDCDMO C[N@@H+]1CC=C(CNC(=O)c2cccc(O)c2O)CC1 ZINC000279797742 523747954 /nfs/dbraw/zinc/74/79/54/523747954.db2.gz JHUCJLQJRPJZFX-UHFFFAOYSA-N 1 1 262.309 1.090 20 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CN(C)C(=O)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893901578 618153407 /nfs/dbraw/zinc/15/34/07/618153407.db2.gz BJIGYQHLWXESGK-UHFFFAOYSA-N 1 1 298.333 1.971 20 10 CDCDMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000893947012 618213106 /nfs/dbraw/zinc/21/31/06/618213106.db2.gz GUPGDTFFZKAWJG-ZDUSSCGKSA-N 1 1 292.379 1.810 20 10 CDCDMO C[C@@H]1NCCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841065082 618679215 /nfs/dbraw/zinc/67/92/15/618679215.db2.gz MNEGGOUWXKDVLD-ONGXEEELSA-N 1 1 264.325 1.351 20 10 CDCDMO C[C@@H]([NH3+])[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000843057087 618691437 /nfs/dbraw/zinc/69/14/37/618691437.db2.gz GFUNYXHVXVLDGJ-PRHODGIISA-N 1 1 288.750 1.733 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1O ZINC000894432253 618881515 /nfs/dbraw/zinc/88/15/15/618881515.db2.gz XQXBCDDYAPJIKY-VXGBXAGGSA-N 1 1 265.353 1.912 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000895564181 619728550 /nfs/dbraw/zinc/72/85/50/619728550.db2.gz AFZQJPHWWNTKGR-UHFFFAOYSA-N 1 1 264.369 1.927 20 10 CDCDMO COc1cccc(O)c1CN1CC[N@H+](C)C(C)(C)C1 ZINC000895564181 619728553 /nfs/dbraw/zinc/72/85/53/619728553.db2.gz AFZQJPHWWNTKGR-UHFFFAOYSA-N 1 1 264.369 1.927 20 10 CDCDMO COc1cccc(O)c1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000895564181 619728555 /nfs/dbraw/zinc/72/85/55/619728555.db2.gz AFZQJPHWWNTKGR-UHFFFAOYSA-N 1 1 264.369 1.927 20 10 CDCDMO CCOC(=O)[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000896960467 620321689 /nfs/dbraw/zinc/32/16/89/620321689.db2.gz MQLAJABUCDLWTL-NSHDSACASA-N 1 1 267.300 1.916 20 10 CDCDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000896960467 620321691 /nfs/dbraw/zinc/32/16/91/620321691.db2.gz MQLAJABUCDLWTL-NSHDSACASA-N 1 1 267.300 1.916 20 10 CDCDMO COc1cc(C[N@H+]2CCCNC(=O)[C@@H]2C)c(O)cc1C ZINC000788046741 631828821 /nfs/dbraw/zinc/82/88/21/631828821.db2.gz JQXJUKIYMPUZAI-NSHDSACASA-N 1 1 278.352 1.420 20 10 CDCDMO CCC[N@@H+](Cc1ccc(C)cc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000877503630 726008977 /nfs/dbraw/zinc/00/89/77/726008977.db2.gz RRAPUHNURDWMKT-CYBMUJFWSA-N 1 1 290.363 1.670 20 10 CDCDMO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Cl)ccc1O ZINC000817977396 726010265 /nfs/dbraw/zinc/01/02/65/726010265.db2.gz JFVZRMDXNUDBML-XDRUHAPNSA-N 1 1 252.745 1.914 20 10 CDCDMO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2c(O)cccc2F)C1 ZINC000886551809 726010814 /nfs/dbraw/zinc/01/08/14/726010814.db2.gz OYCNFBQMYGHZNO-MNOVXSKESA-N 1 1 295.358 1.986 20 10 CDCDMO CC(C)[N@@H+]1CC[C@H](CNCc2cc3c(cc2O)OCO3)C1 ZINC000042880358 726018499 /nfs/dbraw/zinc/01/84/99/726018499.db2.gz FTDKWEPVOMNWHK-GFCCVEGCSA-N 1 1 292.379 1.941 20 10 CDCDMO CC(C)[N@H+]1CC[C@H](CNCc2cc3c(cc2O)OCO3)C1 ZINC000042880358 726018500 /nfs/dbraw/zinc/01/85/00/726018500.db2.gz FTDKWEPVOMNWHK-GFCCVEGCSA-N 1 1 292.379 1.941 20 10 CDCDMO COc1ccc(N(C)CC[N@H+](C)CC(=O)N2CCC2)cc1 ZINC000844399822 726020841 /nfs/dbraw/zinc/02/08/41/726020841.db2.gz PJCIAAPRJPHNPC-UHFFFAOYSA-N 1 1 291.395 1.296 20 10 CDCDMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)N2CCC2)cc1 ZINC000844399822 726020842 /nfs/dbraw/zinc/02/08/42/726020842.db2.gz PJCIAAPRJPHNPC-UHFFFAOYSA-N 1 1 291.395 1.296 20 10 CDCDMO COC[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000794835406 726179695 /nfs/dbraw/zinc/17/96/95/726179695.db2.gz JSRQUXKSEQMLJJ-VXNVDRBHSA-N 1 1 261.268 1.328 20 10 CDCDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000827634625 726217279 /nfs/dbraw/zinc/21/72/79/726217279.db2.gz WMXJYGDVORLXRP-LBPRGKRZSA-N 1 1 292.354 1.976 20 10 CDCDMO COC[C@@H](C[NH2+][C@H](C)c1c(O)cccc1F)OC ZINC000886588772 726271326 /nfs/dbraw/zinc/27/13/26/726271326.db2.gz YONMSRWVZVNHLX-NXEZZACHSA-N 1 1 257.305 1.843 20 10 CDCDMO O=C1CC[C@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]2N1 ZINC000827141158 726335080 /nfs/dbraw/zinc/33/50/80/726335080.db2.gz PQNNGGNJTLSZJH-AAEUAGOBSA-N 1 1 260.337 1.493 20 10 CDCDMO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160338704 726355484 /nfs/dbraw/zinc/35/54/84/726355484.db2.gz NRQGTTBJXKPFDQ-OAHLLOKOSA-N 1 1 297.326 1.796 20 10 CDCDMO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160338704 726355488 /nfs/dbraw/zinc/35/54/88/726355488.db2.gz NRQGTTBJXKPFDQ-OAHLLOKOSA-N 1 1 297.326 1.796 20 10 CDCDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2O)CC12COC2 ZINC000824490038 726357443 /nfs/dbraw/zinc/35/74/43/726357443.db2.gz SPNCBTOKMOCZJR-ZDUSSCGKSA-N 1 1 291.347 1.404 20 10 CDCDMO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1c(O)cccc1F ZINC000886555339 726822872 /nfs/dbraw/zinc/82/28/72/726822872.db2.gz PVQDDSZDQQUZJT-IUCAKERBSA-N 1 1 275.345 1.615 20 10 CDCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c1 ZINC000130956980 726864948 /nfs/dbraw/zinc/86/49/48/726864948.db2.gz PIBQNJTWKWXFQG-YPMLDQLKSA-N 1 1 271.382 1.600 20 10 CDCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1C)[C@@H]1CCNC1=O ZINC000840942414 726878741 /nfs/dbraw/zinc/87/87/41/726878741.db2.gz KHTJVPRVQOUTLC-OAHLLOKOSA-N 1 1 275.396 1.771 20 10 CDCDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1[NH3+] ZINC000843053666 726880721 /nfs/dbraw/zinc/88/07/21/726880721.db2.gz QBLUCGODVBCCFH-ZYHUDNBSSA-N 1 1 278.352 1.680 20 10 CDCDMO CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1[NH3+] ZINC000843053666 726880722 /nfs/dbraw/zinc/88/07/22/726880722.db2.gz QBLUCGODVBCCFH-ZYHUDNBSSA-N 1 1 278.352 1.680 20 10 CDCDMO COc1cccc(C[N@H+]2CCC[C@@H]2CCO)c1O ZINC000779201468 726885827 /nfs/dbraw/zinc/88/58/27/726885827.db2.gz FOJVBLVRXGVSQZ-GFCCVEGCSA-N 1 1 251.326 1.748 20 10 CDCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000179863160 726983271 /nfs/dbraw/zinc/98/32/71/726983271.db2.gz WEXXYABQIHURMB-CQSZACIVSA-N 1 1 276.380 1.744 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000179863160 726983276 /nfs/dbraw/zinc/98/32/76/726983276.db2.gz WEXXYABQIHURMB-CQSZACIVSA-N 1 1 276.380 1.744 20 10 CDCDMO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1c(O)cccc1F ZINC000886550348 727004376 /nfs/dbraw/zinc/00/43/76/727004376.db2.gz XWBQBDLFWPXUQB-VHSXEESVSA-N 1 1 278.327 1.945 20 10 CDCDMO C[NH2+]CCNC1CCN(c2ccc(OC)cc2)CC1 ZINC000841034847 727012186 /nfs/dbraw/zinc/01/21/86/727012186.db2.gz GEAYTFAZZWIUDI-UHFFFAOYSA-N 1 1 263.385 1.473 20 10 CDCDMO COc1ccc(O)c(C[N@@H+](CCO)C2CCN(C)CC2)c1 ZINC000305772715 727040506 /nfs/dbraw/zinc/04/05/06/727040506.db2.gz LHJMDLUDDAPBMR-UHFFFAOYSA-N 1 1 294.395 1.289 20 10 CDCDMO CCOc1cccc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)c1O ZINC000817412058 727048349 /nfs/dbraw/zinc/04/83/49/727048349.db2.gz BXLFPCPAWFDCKW-CYBMUJFWSA-N 1 1 295.379 1.763 20 10 CDCDMO CCc1cccc(C[N@H+]2CC[C@](CO)(COC)C2)c1O ZINC000848915563 727092870 /nfs/dbraw/zinc/09/28/70/727092870.db2.gz XSMWGOMVENTHMF-INIZCTEOSA-N 1 1 279.380 1.785 20 10 CDCDMO Cc1cccc(O)c1C[N@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000877460609 727202614 /nfs/dbraw/zinc/20/26/14/727202614.db2.gz RMINJOUKHVYLMS-AWEZNQCLSA-N 1 1 292.423 1.978 20 10 CDCDMO Cc1cccc(O)c1CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000877460609 727202615 /nfs/dbraw/zinc/20/26/15/727202615.db2.gz RMINJOUKHVYLMS-AWEZNQCLSA-N 1 1 292.423 1.978 20 10 CDCDMO Cc1cccc(O)c1CN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000877460609 727202616 /nfs/dbraw/zinc/20/26/16/727202616.db2.gz RMINJOUKHVYLMS-AWEZNQCLSA-N 1 1 292.423 1.978 20 10 CDCDMO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCNC3)C2)cc1 ZINC000849349527 727250131 /nfs/dbraw/zinc/25/01/31/727250131.db2.gz CCJCSCGVXLPBOG-KGLIPLIRSA-N 1 1 275.396 1.616 20 10 CDCDMO C[C@@H]([NH3+])[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000843056784 727274716 /nfs/dbraw/zinc/27/47/16/727274716.db2.gz ZSYZTVSYIWSLCJ-PELKAZGASA-N 1 1 288.750 1.733 20 10 CDCDMO COC[C@@H](CCO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790967199 727281431 /nfs/dbraw/zinc/28/14/31/727281431.db2.gz GYXCPCKHYRRYPG-MRVPVSSYSA-N 1 1 277.723 1.672 20 10 CDCDMO C[C@H](CCN(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000049553590 727304864 /nfs/dbraw/zinc/30/48/64/727304864.db2.gz FRZUBDMMLGTVAD-OAHLLOKOSA-N 1 1 291.439 1.953 20 10 CDCDMO C[C@H](O)[C@@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000929294517 727304970 /nfs/dbraw/zinc/30/49/70/727304970.db2.gz DYUZOSXZCFFSOM-LRDDRELGSA-N 1 1 278.396 1.459 20 10 CDCDMO C[S@@](=O)CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708494778 727317371 /nfs/dbraw/zinc/31/73/71/727317371.db2.gz OZUHQGWZLSKOFY-QGZVFWFLSA-N 1 1 263.309 1.529 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1 ZINC000818431362 727320343 /nfs/dbraw/zinc/32/03/43/727320343.db2.gz JVKRIVWQBQNGFF-DLBZAZTESA-N 1 1 299.422 1.413 20 10 CDCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1 ZINC000818431362 727320345 /nfs/dbraw/zinc/32/03/45/727320345.db2.gz JVKRIVWQBQNGFF-DLBZAZTESA-N 1 1 299.422 1.413 20 10 CDCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@H]1CN(C)CCO1 ZINC000886553476 727332181 /nfs/dbraw/zinc/33/21/81/727332181.db2.gz OCHASPXSWXXPQV-UHIISALHSA-N 1 1 282.359 1.901 20 10 CDCDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cc(OC)ccc1O ZINC000114542933 727364012 /nfs/dbraw/zinc/36/40/12/727364012.db2.gz UEVUOMBSQDJCJD-CQSZACIVSA-N 1 1 292.379 1.891 20 10 CDCDMO CCn1nc(C)c(C[NH2+]Cc2c(O)cccc2OC)n1 ZINC000818222058 727375673 /nfs/dbraw/zinc/37/56/73/727375673.db2.gz VIPQUIPXPUYAKI-UHFFFAOYSA-N 1 1 276.340 1.610 20 10 CDCDMO COc1cccc(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1O ZINC000824892965 727414503 /nfs/dbraw/zinc/41/45/03/727414503.db2.gz HMPFUNFZHRXYGV-WCQYABFASA-N 1 1 262.353 1.537 20 10 CDCDMO COc1cccc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1O ZINC000824892965 727414507 /nfs/dbraw/zinc/41/45/07/727414507.db2.gz HMPFUNFZHRXYGV-WCQYABFASA-N 1 1 262.353 1.537 20 10 CDCDMO COc1cccc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1O ZINC000824892965 727414514 /nfs/dbraw/zinc/41/45/14/727414514.db2.gz HMPFUNFZHRXYGV-WCQYABFASA-N 1 1 262.353 1.537 20 10 CDCDMO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ncnn1C ZINC000788971065 727441035 /nfs/dbraw/zinc/44/10/35/727441035.db2.gz BLRVFOINWZOTIC-MRVPVSSYSA-N 1 1 276.296 1.100 20 10 CDCDMO [NH3+]C[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000843065674 727454587 /nfs/dbraw/zinc/45/45/87/727454587.db2.gz OKNZWNYOMCRPRM-SNVBAGLBSA-N 1 1 256.733 1.205 20 10 CDCDMO COc1c(O)c(C[NH2+][C@@H](CCO)C2CC2)ccc1[N+](=O)[O-] ZINC000775023462 727461449 /nfs/dbraw/zinc/46/14/49/727461449.db2.gz KGUWMWCQNULRML-NSHDSACASA-N 1 1 296.323 1.560 20 10 CDCDMO COc1cccc(C[NH2+][C@H](C)c2nnc(C)[nH]2)c1O ZINC000392360462 727831638 /nfs/dbraw/zinc/83/16/38/727831638.db2.gz ASOOXSOJDJPLHY-MRVPVSSYSA-N 1 1 262.313 1.678 20 10 CDCDMO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1O ZINC000775137035 727883276 /nfs/dbraw/zinc/88/32/76/727883276.db2.gz QLYKBNJCUODGAL-VIFPVBQESA-N 1 1 259.313 1.564 20 10 CDCDMO COCC[N@@H+](Cc1ccc(C)cc1O)[C@H](C)C(N)=O ZINC000876695857 727887862 /nfs/dbraw/zinc/88/78/62/727887862.db2.gz JIQUAFKEAOKOEW-LLVKDONJSA-N 1 1 266.341 1.023 20 10 CDCDMO COC[C@@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)C[C@H](C)O1 ZINC000190206613 727892946 /nfs/dbraw/zinc/89/29/46/727892946.db2.gz TUXZBNYGCUEIED-JSGCOSHPSA-N 1 1 295.379 1.945 20 10 CDCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000883104849 728061226 /nfs/dbraw/zinc/06/12/26/728061226.db2.gz OIYTUASDDXACDP-UHFFFAOYSA-N 1 1 298.333 1.625 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](C)CC(=O)N2CCCC2)c1O ZINC000874026356 728087582 /nfs/dbraw/zinc/08/75/82/728087582.db2.gz PIACXWOUVKNPOR-UHFFFAOYSA-N 1 1 292.379 1.763 20 10 CDCDMO COc1c(O)c(C[NH2+]C[C@@](C)(O)C2CC2)ccc1[N+](=O)[O-] ZINC000775013310 728135450 /nfs/dbraw/zinc/13/54/50/728135450.db2.gz UUWZSMDOPITOHQ-CQSZACIVSA-N 1 1 296.323 1.560 20 10 CDCDMO Cc1[nH+]ccn1CCCN(C)C(=O)Cc1ccc(N)cc1 ZINC000831425456 728216294 /nfs/dbraw/zinc/21/62/94/728216294.db2.gz AJPHKPYKLXKMHY-UHFFFAOYSA-N 1 1 286.379 1.865 20 10 CDCDMO CCc1cccc(C[NH+]2CCN(C(=O)COC)CC2)c1O ZINC000848882036 728271249 /nfs/dbraw/zinc/27/12/49/728271249.db2.gz XDMBSELBQBGTCC-UHFFFAOYSA-N 1 1 292.379 1.245 20 10 CDCDMO Cc1cccc(O)c1C[NH+]1CC(n2cc([C@H](C)O)nn2)C1 ZINC000877176639 728327305 /nfs/dbraw/zinc/32/73/05/728327305.db2.gz UDKVENJSTNCIJF-NSHDSACASA-N 1 1 288.351 1.402 20 10 CDCDMO CCc1cccc(C[N@H+]2CCN(C)C[C@H]2CO)c1O ZINC000877643189 728340375 /nfs/dbraw/zinc/34/03/75/728340375.db2.gz BYLXFEZIVYNOHM-AWEZNQCLSA-N 1 1 264.369 1.063 20 10 CDCDMO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708435055 728348540 /nfs/dbraw/zinc/34/85/40/728348540.db2.gz AUJUECXJHQQPSH-GHMZBOCLSA-N 1 1 257.280 1.919 20 10 CDCDMO CCOCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071124117 728377360 /nfs/dbraw/zinc/37/73/60/728377360.db2.gz JVBIEXDLYZYNDU-UHFFFAOYSA-N 1 1 278.396 1.992 20 10 CDCDMO CC(=O)c1cc(O)c(O)cc1O[C@H]1CCC[N@H+](C)C1 ZINC001234474775 913679636 /nfs/dbraw/zinc/67/96/36/913679636.db2.gz WXNQEDHKSNRDKA-JTQLQIEISA-N 1 1 265.309 1.773 20 10 CDCDMO COc1cc(O)c(C[N@@H+](C)CCn2cccn2)cc1OC ZINC000160176831 893923690 /nfs/dbraw/zinc/92/36/90/893923690.db2.gz SMRCYTKNLBRRRY-UHFFFAOYSA-N 1 1 291.351 1.738 20 10 CDCDMO CO[C@@H]1C[N@@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1OC ZINC001140178476 895201864 /nfs/dbraw/zinc/20/18/64/895201864.db2.gz MKBULWCYYNFFBW-OKILXGFUSA-N 1 1 265.353 1.855 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)c1 ZINC001140623624 897199958 /nfs/dbraw/zinc/19/99/58/897199958.db2.gz YOLKYSQCSISYCB-CYBMUJFWSA-N 1 1 260.337 1.507 20 10 CDCDMO Cc1ccc(O)c(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)c1 ZINC001140623624 897199964 /nfs/dbraw/zinc/19/99/64/897199964.db2.gz YOLKYSQCSISYCB-CYBMUJFWSA-N 1 1 260.337 1.507 20 10 CDCDMO COC[C@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)C[C@H](C)O1 ZINC000249942078 902491330 /nfs/dbraw/zinc/49/13/30/902491330.db2.gz TUXZBNYGCUEIED-GXTWGEPZSA-N 1 1 295.379 1.945 20 10 CDCDMO Cc1ccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)c(O)c1 ZINC001206174531 911907811 /nfs/dbraw/zinc/90/78/11/911907811.db2.gz NSFIMYWSHSQBIF-CHWSQXEVSA-N 1 1 252.333 1.962 20 10 CDCDMO Cc1ccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c(O)c1 ZINC001206174531 911907819 /nfs/dbraw/zinc/90/78/19/911907819.db2.gz NSFIMYWSHSQBIF-CHWSQXEVSA-N 1 1 252.333 1.962 20 10 CDCDMO Cc1cc(C[N@@H+](C)C[C@@H](O)CO)c(C)n1-c1ccccc1 ZINC001137855548 936422905 /nfs/dbraw/zinc/42/29/05/936422905.db2.gz BASYYCGIBVHMAL-QGZVFWFLSA-N 1 1 288.391 1.879 20 10 CDCDMO COC(=O)[C@]1(C)CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137841918 936420477 /nfs/dbraw/zinc/42/04/77/936420477.db2.gz ZSKBORSNVMBUJS-CQSZACIVSA-N 1 1 267.300 1.916 20 10 CDCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137841918 936420480 /nfs/dbraw/zinc/42/04/80/936420480.db2.gz ZSKBORSNVMBUJS-CQSZACIVSA-N 1 1 267.300 1.916 20 10 CDCDMO Cc1c(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c2ccccc2n1C ZINC001138252588 936501611 /nfs/dbraw/zinc/50/16/11/936501611.db2.gz MPIJXYARZZXGFD-CXAGYDPISA-N 1 1 288.391 1.662 20 10 CDCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138499010 936543080 /nfs/dbraw/zinc/54/30/80/936543080.db2.gz SJRPJEPHLYPEJI-RHSMWYFYSA-N 1 1 290.407 1.868 20 10 CDCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001140055983 936674523 /nfs/dbraw/zinc/67/45/23/936674523.db2.gz CNKNQYMRFCYQFL-ZDUSSCGKSA-N 1 1 289.310 1.975 20 10 CDCDMO CC[N@H+]1C[C@H]2CN(Cc3ccc(O)c(C)c3O)C[C@H]2C1 ZINC001140749515 936749452 /nfs/dbraw/zinc/74/94/52/936749452.db2.gz CHMPXQPNXABBKZ-OKILXGFUSA-N 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/nfs/dbraw/zinc/01/88/08/731018808.db2.gz JJCWJJGGALSDRY-ZDUSSCGKSA-N 1 1 289.734 1.768 20 10 CDCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@]1(CO)CCOC1 ZINC000862427960 731018810 /nfs/dbraw/zinc/01/88/10/731018810.db2.gz JJCWJJGGALSDRY-ZDUSSCGKSA-N 1 1 289.734 1.768 20 10 CDCDMO CN(C)c1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000312074873 731220498 /nfs/dbraw/zinc/22/04/98/731220498.db2.gz JCIRISZGLDBBSY-HOCLYGCPSA-N 1 1 259.397 1.936 20 10 CDCDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3C)C[C@@H]21 ZINC000840950052 731241351 /nfs/dbraw/zinc/24/13/51/731241351.db2.gz IXHZFYYYOACUAO-ZSHCYNCHSA-N 1 1 288.391 1.912 20 10 CDCDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000305842875 731328040 /nfs/dbraw/zinc/32/80/40/731328040.db2.gz HNFRVFZPMQZTOP-ZBFHGGJFSA-N 1 1 290.407 1.726 20 10 CDCDMO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000104901002 731329993 /nfs/dbraw/zinc/32/99/93/731329993.db2.gz RYONOWQHLZZYIR-MFKMUULPSA-N 1 1 278.352 1.672 20 10 CDCDMO OC[C@]1(F)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000802660934 731389692 /nfs/dbraw/zinc/38/96/92/731389692.db2.gz ZWPISTNGVMQBGP-LBPRGKRZSA-N 1 1 259.708 1.952 20 10 CDCDMO OC[C@]1(F)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000802660934 731389697 /nfs/dbraw/zinc/38/96/97/731389697.db2.gz ZWPISTNGVMQBGP-LBPRGKRZSA-N 1 1 259.708 1.952 20 10 CDCDMO C[C@H](N[C@@H](C)C1C[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000817891867 731418023 /nfs/dbraw/zinc/41/80/23/731418023.db2.gz OVFFWEVLNQDQAA-KBPBESRZSA-N 1 1 289.423 1.782 20 10 CDCDMO OC[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1CO ZINC000877765188 731469592 /nfs/dbraw/zinc/46/95/92/731469592.db2.gz USYJFRRTNNZQFG-AOOOYVTPSA-N 1 1 289.734 1.217 20 10 CDCDMO OC[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1CO ZINC000877765188 731469596 /nfs/dbraw/zinc/46/95/96/731469596.db2.gz USYJFRRTNNZQFG-AOOOYVTPSA-N 1 1 289.734 1.217 20 10 CDCDMO C[C@@H](C[NH+](C)C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000808422826 731558553 /nfs/dbraw/zinc/55/85/53/731558553.db2.gz DAMCYFKHYSKPJN-ZDUSSCGKSA-N 1 1 295.402 1.702 20 10 CDCDMO CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C)c(O)c1 ZINC000788270365 731561448 /nfs/dbraw/zinc/56/14/48/731561448.db2.gz RHNFAEMHKXRDPA-CMPLNLGQSA-N 1 1 251.326 1.746 20 10 CDCDMO CCOc1ccc(O)c(CN2CC(N3CC[C@@H](O)C3)C2)c1 ZINC000843421212 731574676 /nfs/dbraw/zinc/57/46/76/731574676.db2.gz DSSTZSUQVLEFMH-CQSZACIVSA-N 1 1 292.379 1.042 20 10 CDCDMO Cc1ccc(O)c(CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000862757191 731622642 /nfs/dbraw/zinc/62/26/42/731622642.db2.gz KQUVFBVEYQYITL-CYBMUJFWSA-N 1 1 262.353 1.801 20 10 CDCDMO O=C(C1=CC(=O)CS1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889757222 731701393 /nfs/dbraw/zinc/70/13/93/731701393.db2.gz UAQORHVRGAQTDE-VXGBXAGGSA-N 1 1 296.392 1.125 20 10 CDCDMO O=C(C1=CC(=O)CS1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889757222 731701397 /nfs/dbraw/zinc/70/13/97/731701397.db2.gz UAQORHVRGAQTDE-VXGBXAGGSA-N 1 1 296.392 1.125 20 10 CDCDMO COc1c(O)c(C[N@@H+](C)C[C@@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000809752964 731747207 /nfs/dbraw/zinc/74/72/07/731747207.db2.gz YDAFVOBRGWXGSA-GFCCVEGCSA-N 1 1 296.323 1.512 20 10 CDCDMO Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c(O)c1 ZINC000876766756 731766590 /nfs/dbraw/zinc/76/65/90/731766590.db2.gz RDRJHVIXNSTCGY-GFCCVEGCSA-N 1 1 262.309 1.337 20 10 CDCDMO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@H](C(N)=O)C1 ZINC000779203372 731852974 /nfs/dbraw/zinc/85/29/74/731852974.db2.gz BXYAXDVKFRSLKA-ABAIWWIYSA-N 1 1 293.386 1.978 20 10 CDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@H](C(N)=O)C1 ZINC000779203372 731852976 /nfs/dbraw/zinc/85/29/76/731852976.db2.gz BXYAXDVKFRSLKA-ABAIWWIYSA-N 1 1 293.386 1.978 20 10 CDCDMO C[C@@H]1CN(CC[NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000882984368 731889994 /nfs/dbraw/zinc/88/99/94/731889994.db2.gz FVJZXIFUUHUHPH-SNVBAGLBSA-N 1 1 286.322 1.481 20 10 CDCDMO C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000702566582 731917204 /nfs/dbraw/zinc/91/72/04/731917204.db2.gz JWVHRPAEGDBOGW-CZUORRHYSA-N 1 1 277.412 1.470 20 10 CDCDMO C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000702566582 731917195 /nfs/dbraw/zinc/91/71/95/731917195.db2.gz JWVHRPAEGDBOGW-CZUORRHYSA-N 1 1 277.412 1.470 20 10 CDCDMO C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000702566582 731917207 /nfs/dbraw/zinc/91/72/07/731917207.db2.gz JWVHRPAEGDBOGW-CZUORRHYSA-N 1 1 277.412 1.470 20 10 CDCDMO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1c(O)cccc1F ZINC000886588437 731965556 /nfs/dbraw/zinc/96/55/56/731965556.db2.gz RGVIDFMYDKJHEQ-ZWNOBZJWSA-N 1 1 283.343 1.969 20 10 CDCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nncn2C)c1 ZINC000037017191 732012714 /nfs/dbraw/zinc/01/27/14/732012714.db2.gz KJIOKISTMGKAPT-ZJUUUORDSA-N 1 1 276.340 1.941 20 10 CDCDMO Cc1ccc(C(=O)NCC[NH+]2CCSCC2)c(O)c1O ZINC000780936619 732107464 /nfs/dbraw/zinc/10/74/64/732107464.db2.gz BSMWUJYFTZIKMS-UHFFFAOYSA-N 1 1 296.392 1.185 20 10 CDCDMO COc1cccc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c1O ZINC000092660471 732117511 /nfs/dbraw/zinc/11/75/11/732117511.db2.gz FZYXYQMCSGTHIV-GFCCVEGCSA-N 1 1 292.379 1.878 20 10 CDCDMO CN(C)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809739937 732149661 /nfs/dbraw/zinc/14/96/61/732149661.db2.gz WSMZRHFPIULZPY-KRWDZBQOSA-N 1 1 289.423 1.659 20 10 CDCDMO CN(C)[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809739937 732149665 /nfs/dbraw/zinc/14/96/65/732149665.db2.gz WSMZRHFPIULZPY-KRWDZBQOSA-N 1 1 289.423 1.659 20 10 CDCDMO CO[C@H](C)[C@@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939340 732179436 /nfs/dbraw/zinc/17/94/36/732179436.db2.gz BBWLIELJNBHSMN-LALPHHSUSA-N 1 1 265.401 1.765 20 10 CDCDMO Cc1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000876586382 732333061 /nfs/dbraw/zinc/33/30/61/732333061.db2.gz DGLNORYXFFTZDJ-AWEZNQCLSA-N 1 1 295.404 1.852 20 10 CDCDMO Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000876586382 732333064 /nfs/dbraw/zinc/33/30/64/732333064.db2.gz DGLNORYXFFTZDJ-AWEZNQCLSA-N 1 1 295.404 1.852 20 10 CDCDMO C[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CCNC1=O ZINC000824943639 732345502 /nfs/dbraw/zinc/34/55/02/732345502.db2.gz PSKADHVHJNTCDE-SNVBAGLBSA-N 1 1 299.168 1.475 20 10 CDCDMO COCCC[N@@H+](CCO)Cc1ccc(N(C)C)cc1C ZINC000840939666 732421728 /nfs/dbraw/zinc/42/17/28/732421728.db2.gz OXPQDDPEWSMTMA-UHFFFAOYSA-N 1 1 280.412 1.892 20 10 CDCDMO CO[C@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000785561581 732427070 /nfs/dbraw/zinc/42/70/70/732427070.db2.gz YIVUWVHIZIXWKV-CQSZACIVSA-N 1 1 277.412 1.563 20 10 CDCDMO COc1cccc(O)c1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000843051936 732456303 /nfs/dbraw/zinc/45/63/03/732456303.db2.gz MYFNSAYZHWWWLZ-JQWIXIFHSA-N 1 1 250.342 1.570 20 10 CDCDMO CC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCOC1 ZINC000775115556 732471641 /nfs/dbraw/zinc/47/16/41/732471641.db2.gz LHJIEDKLPKHASS-AWEZNQCLSA-N 1 1 296.323 1.968 20 10 CDCDMO Cc1cc([O-])c(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1Cl ZINC000825303404 732602590 /nfs/dbraw/zinc/60/25/90/732602590.db2.gz HPEZEUFQSWTECI-UHFFFAOYSA-N 1 1 298.814 1.900 20 10 CDCDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000840177328 732638756 /nfs/dbraw/zinc/63/87/56/732638756.db2.gz ILDLYUZDWNKUMU-JTQLQIEISA-N 1 1 292.335 1.031 20 10 CDCDMO CC(C)C1(O)C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000839133577 732748381 /nfs/dbraw/zinc/74/83/81/732748381.db2.gz VYCITANHFMIHQJ-UHFFFAOYSA-N 1 1 265.309 1.324 20 10 CDCDMO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862338982 732759945 /nfs/dbraw/zinc/75/99/45/732759945.db2.gz JASKDNILILZIFG-GXSJLCMTSA-N 1 1 270.323 1.986 20 10 CDCDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862338982 732759954 /nfs/dbraw/zinc/75/99/54/732759954.db2.gz JASKDNILILZIFG-GXSJLCMTSA-N 1 1 270.323 1.986 20 10 CDCDMO Cc1ccc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c(O)c1 ZINC000877547348 732795281 /nfs/dbraw/zinc/79/52/81/732795281.db2.gz UWNFHDVRKAIPGE-GFCCVEGCSA-N 1 1 283.393 1.567 20 10 CDCDMO CC[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[C@H]1[NH3+] ZINC000843052846 732874611 /nfs/dbraw/zinc/87/46/11/732874611.db2.gz VRXPTDUUZLXAMP-DGCLKSJQSA-N 1 1 294.395 1.969 20 10 CDCDMO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1c(O)cccc1F ZINC000886625266 733015719 /nfs/dbraw/zinc/01/57/19/733015719.db2.gz MHFYURDNVQAAGB-UBHAPETDSA-N 1 1 255.289 1.596 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](n3cncn3)C2)c1O ZINC000776774679 733029042 /nfs/dbraw/zinc/02/90/42/733029042.db2.gz FFMBYDXWLDCUGU-CYBMUJFWSA-N 1 1 288.351 1.748 20 10 CDCDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846109347 733147994 /nfs/dbraw/zinc/14/79/94/733147994.db2.gz UANKSJRPDWRWGV-AWEZNQCLSA-N 1 1 278.396 1.726 20 10 CDCDMO Cc1ccc(C[N@@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)c(O)c1 ZINC000877487056 1166047097 /nfs/dbraw/zinc/04/70/97/1166047097.db2.gz BONWLFDXUBDNNV-UONOGXRCSA-N 1 1 278.396 1.588 20 10 CDCDMO Cc1ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(O)c1 ZINC000877487056 1166047103 /nfs/dbraw/zinc/04/71/03/1166047103.db2.gz BONWLFDXUBDNNV-UONOGXRCSA-N 1 1 278.396 1.588 20 10 CDCDMO Cc1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(O)c1 ZINC000877487056 1166047109 /nfs/dbraw/zinc/04/71/09/1166047109.db2.gz BONWLFDXUBDNNV-UONOGXRCSA-N 1 1 278.396 1.588 20 10 CDCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000877558333 1166058354 /nfs/dbraw/zinc/05/83/54/1166058354.db2.gz DEZSDBNMHJHPFE-GFCCVEGCSA-N 1 1 278.352 1.973 20 10 CDCDMO COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c(OC)c1 ZINC001206201632 912556046 /nfs/dbraw/zinc/55/60/46/912556046.db2.gz YSDBMLQPDDIYJJ-QWHCGFSZSA-N 1 1 298.358 1.671 20 10 CDCDMO COc1cc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c(OC)c1 ZINC001206201632 912556058 /nfs/dbraw/zinc/55/60/58/912556058.db2.gz YSDBMLQPDDIYJJ-QWHCGFSZSA-N 1 1 298.358 1.671 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@]1(C)O ZINC001233010308 912671315 /nfs/dbraw/zinc/67/13/15/912671315.db2.gz OHDBTBJYVYTUKR-OTYXRUKQSA-N 1 1 267.325 1.396 20 10 CDCDMO C[C@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@]1(C)O ZINC001233010309 912671748 /nfs/dbraw/zinc/67/17/48/912671748.db2.gz OHDBTBJYVYTUKR-XPTSAGLGSA-N 1 1 267.325 1.396 20 10 CDCDMO [NH3+][C@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001205109307 913670737 /nfs/dbraw/zinc/67/07/37/913670737.db2.gz DWCFPBUQDFHXLT-JTQLQIEISA-N 1 1 256.296 1.984 20 10 CDCDMO CCc1cccc(C[N@H+]2CC[C@H](NC(N)=O)C2)c1O ZINC000690739967 896802420 /nfs/dbraw/zinc/80/24/20/896802420.db2.gz RKGNNWJELWJGAG-LBPRGKRZSA-N 1 1 263.341 1.197 20 10 CDCDMO CN1CCOc2cc(CN3C[C@@H]4C[N@H+](C)C[C@@H]4C3)ccc21 ZINC001141143999 899789310 /nfs/dbraw/zinc/78/93/10/899789310.db2.gz RSCOLSUFVPWGTC-GASCZTMLSA-N 1 1 287.407 1.509 20 10 CDCDMO COc1ccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(O)c1Cl ZINC001206443877 916884286 /nfs/dbraw/zinc/88/42/86/916884286.db2.gz ABQQGVSKYMQOIP-UWVGGRQHSA-N 1 1 288.750 1.925 20 10 CDCDMO O=C1CC2(CN1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001137831812 936416785 /nfs/dbraw/zinc/41/67/85/936416785.db2.gz OPMFLUDFDHIXSX-UHFFFAOYSA-N 1 1 278.327 1.633 20 10 CDCDMO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(F)c2O)C1 ZINC001138129424 936475749 /nfs/dbraw/zinc/47/57/49/936475749.db2.gz BZJPHHSGWWQRGZ-CYBMUJFWSA-N 1 1 280.343 1.974 20 10 CDCDMO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(F)c2O)C1 ZINC001138129424 936475751 /nfs/dbraw/zinc/47/57/51/936475751.db2.gz BZJPHHSGWWQRGZ-CYBMUJFWSA-N 1 1 280.343 1.974 20 10 CDCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)CCCO1 ZINC001203634633 919946527 /nfs/dbraw/zinc/94/65/27/919946527.db2.gz OMKPKFHOYADJEE-CQSZACIVSA-N 1 1 295.335 1.165 20 10 CDCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c1O ZINC001140182200 936684740 /nfs/dbraw/zinc/68/47/40/936684740.db2.gz KDASRHUIGQFDLG-LBPRGKRZSA-N 1 1 283.393 1.628 20 10 CDCDMO Cc1ccc(C)c(C[N@@H+]2CCCN(C)C(=O)C2)c1O ZINC001140182241 936685014 /nfs/dbraw/zinc/68/50/14/936685014.db2.gz LXHTYLRVEHIIPW-UHFFFAOYSA-N 1 1 262.353 1.673 20 10 CDCDMO COC1CCN(c2ccc(C[N@@H+](C)CCO)cc2)CC1 ZINC001117755664 922089238 /nfs/dbraw/zinc/08/92/38/922089238.db2.gz XDEKINUFICEDFV-UHFFFAOYSA-N 1 1 278.396 1.726 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c1 ZINC001140619566 936731795 /nfs/dbraw/zinc/73/17/95/936731795.db2.gz HVQNPHHBXGVBMO-HUUCEWRRSA-N 1 1 265.353 1.266 20 10 CDCDMO COCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140662237 936736539 /nfs/dbraw/zinc/73/65/39/936736539.db2.gz KKCBOHSUVKBSIJ-UHFFFAOYSA-N 1 1 282.359 1.741 20 10 CDCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@](C)(O)C2)c1O ZINC001140746089 936748962 /nfs/dbraw/zinc/74/89/62/936748962.db2.gz UTXWWVSKFLSTCG-AWEZNQCLSA-N 1 1 251.326 1.753 20 10 CDCDMO Cc1ccc(C[N@H+](C)C2CCS(=O)(=O)CC2)c(O)c1 ZINC001140950730 936783120 /nfs/dbraw/zinc/78/31/20/936783120.db2.gz FYTOJSYSIMRLTC-UHFFFAOYSA-N 1 1 283.393 1.710 20 10 CDCDMO Cc1ccc(C[N@@H+]2CCc3nccn3CC2)c(O)c1 ZINC001140958295 936784248 /nfs/dbraw/zinc/78/42/48/936784248.db2.gz XEMHBUACNUISCM-UHFFFAOYSA-N 1 1 257.337 1.955 20 10 CDCDMO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708466699 923193137 /nfs/dbraw/zinc/19/31/37/923193137.db2.gz ULWADCKMFUTUNN-HQJQHLMTSA-N 1 1 277.336 1.872 20 10 CDCDMO Oc1ccc(O)c(C[NH+]2CCN(c3nccs3)CC2)c1 ZINC001141156623 936821214 /nfs/dbraw/zinc/82/12/14/936821214.db2.gz OVJXJIQQGPOTFF-UHFFFAOYSA-N 1 1 291.376 1.877 20 10 CDCDMO CN(CC[NH+]1CCCC1)C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193612774 923804525 /nfs/dbraw/zinc/80/45/25/923804525.db2.gz SODYTDNQNHQTGF-UHFFFAOYSA-N 1 1 298.770 1.919 20 10 CDCDMO C[N@@H+](C1CN(Cc2cc(F)c(F)cc2O)C1)[C@@H]1CCOC1 ZINC001142524768 937027838 /nfs/dbraw/zinc/02/78/38/937027838.db2.gz JQJWHTBUNJFQAH-LLVKDONJSA-N 1 1 298.333 1.575 20 10 CDCDMO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886503982 930895119 /nfs/dbraw/zinc/89/51/19/930895119.db2.gz MPSBDJJPBIUFBT-NEPJUHHUSA-N 1 1 282.359 1.903 20 10 CDCDMO CN1CC[C@@]2(CC[N@H+](Cc3c(O)ccc(F)c3F)C2)C1=O ZINC001274148998 931200379 /nfs/dbraw/zinc/20/03/79/931200379.db2.gz FPGNPNVEJHRRQX-HNNXBMFYSA-N 1 1 296.317 1.725 20 10 CDCDMO CN1CC[C@@]2(CC[N@@H+](Cc3c(O)ccc(F)c3F)C2)C1=O ZINC001274148998 931200386 /nfs/dbraw/zinc/20/03/86/931200386.db2.gz FPGNPNVEJHRRQX-HNNXBMFYSA-N 1 1 296.317 1.725 20 10 CDCDMO COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000824830502 931484166 /nfs/dbraw/zinc/48/41/66/931484166.db2.gz QNHIINNXKPWHFF-OKILXGFUSA-N 1 1 295.379 1.236 20 10 CDCDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144499879 931857954 /nfs/dbraw/zinc/85/79/54/931857954.db2.gz NJTJNLJFKHFGBC-RKDXNWHRSA-N 1 1 253.298 1.149 20 10 CDCDMO C[C@H]1C[C@@H](CO)[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499811 931858343 /nfs/dbraw/zinc/85/83/43/931858343.db2.gz JSDACZOOCDHYKN-IUCAKERBSA-N 1 1 253.298 1.006 20 10 CDCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@@H]1O ZINC001144499420 931858737 /nfs/dbraw/zinc/85/87/37/931858737.db2.gz GGXJQNORFZEDTL-SKDRFNHKSA-N 1 1 267.325 1.396 20 10 CDCDMO OC[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001144499116 931859047 /nfs/dbraw/zinc/85/90/47/931859047.db2.gz ADKCIZDACKOUSR-MRVPVSSYSA-N 1 1 289.278 1.253 20 10 CDCDMO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)C[C@H](C)O1 ZINC001144500375 931859499 /nfs/dbraw/zinc/85/94/99/931859499.db2.gz SVBDYYCCONGPMO-DTORHVGOSA-N 1 1 253.298 1.413 20 10 CDCDMO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509067 931874358 /nfs/dbraw/zinc/87/43/58/931874358.db2.gz JVKVSIWYGISTOJ-JTQLQIEISA-N 1 1 294.351 1.104 20 10 CDCDMO COc1ccc(N(C)CC[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000930853025 933461387 /nfs/dbraw/zinc/46/13/87/933461387.db2.gz PSMXUGLPUPJIBI-UHFFFAOYSA-N 1 1 267.329 1.340 20 10 CDCDMO COc1ccc(N(C)CC[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000930853025 933461390 /nfs/dbraw/zinc/46/13/90/933461390.db2.gz PSMXUGLPUPJIBI-UHFFFAOYSA-N 1 1 267.329 1.340 20 10 CDCDMO CCc1cccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1O ZINC000692093471 934378356 /nfs/dbraw/zinc/37/83/56/934378356.db2.gz VYQRYCJXDOBXJV-ZDUSSCGKSA-N 1 1 275.352 1.164 20 10 CDCDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001120263116 937790175 /nfs/dbraw/zinc/79/01/75/937790175.db2.gz KIABHKBNXDPBMQ-CQSZACIVSA-N 1 1 261.369 1.617 20 10 CDCDMO Oc1ccccc1C[N@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001203550099 939692783 /nfs/dbraw/zinc/69/27/83/939692783.db2.gz HVXDEYWHVPTZLM-GFCCVEGCSA-N 1 1 291.269 1.518 20 10 CDCDMO COc1cccc(CN2CC([N@@H+](C)[C@H]3CCOC3)C2)c1O ZINC001203596588 939695233 /nfs/dbraw/zinc/69/52/33/939695233.db2.gz KKETXMVQEKROOG-ZDUSSCGKSA-N 1 1 292.379 1.306 20 10 CDCDMO COc1ccc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)c(O)c1 ZINC001203620956 939697259 /nfs/dbraw/zinc/69/72/59/939697259.db2.gz KVXZTAXADHVLLS-PWSUYJOCSA-N 1 1 269.316 1.553 20 10 CDCDMO COc1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(O)c1 ZINC001203634610 939698889 /nfs/dbraw/zinc/69/88/89/939698889.db2.gz NMVCDDFXBULVAQ-CYBMUJFWSA-N 1 1 288.351 1.829 20 10 CDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874556 939710421 /nfs/dbraw/zinc/71/04/21/939710421.db2.gz AJMFTTQXWANMPQ-JTQLQIEISA-N 1 1 251.282 1.093 20 10 CDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC001203940094 939715192 /nfs/dbraw/zinc/71/51/92/939715192.db2.gz IKLSFSQIDVGAIU-NVXWUHKLSA-N 1 1 292.423 1.708 20 10 CDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC001203940095 939715201 /nfs/dbraw/zinc/71/52/01/939715201.db2.gz IKLSFSQIDVGAIU-RDJZCZTQSA-N 1 1 292.423 1.708 20 10 CDCDMO C[C@]1(O)CCCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204275843 939750398 /nfs/dbraw/zinc/75/03/98/939750398.db2.gz CVHZMDFADKXGAN-AWEZNQCLSA-N 1 1 251.326 1.835 20 10 CDCDMO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204279173 939752237 /nfs/dbraw/zinc/75/22/37/939752237.db2.gz SDBVASURCCWIGE-LBPRGKRZSA-N 1 1 265.309 1.625 20 10 CDCDMO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1O ZINC001204279173 939752239 /nfs/dbraw/zinc/75/22/39/939752239.db2.gz SDBVASURCCWIGE-LBPRGKRZSA-N 1 1 265.309 1.625 20 10 CDCDMO O=C1CCC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]12 ZINC001204281767 939752851 /nfs/dbraw/zinc/75/28/51/939752851.db2.gz IPKRJFUGHIEQMU-MFKMUULPSA-N 1 1 261.321 1.899 20 10 CDCDMO COc1cc(C[N@@H+]2CCC[C@]3(CCO3)C2)cc(O)c1O ZINC001204344796 939758580 /nfs/dbraw/zinc/75/85/80/939758580.db2.gz DJINLJUPMFXKQM-HNNXBMFYSA-N 1 1 279.336 1.861 20 10 CDCDMO COc1cc(C[N@H+]2CCC[C@]3(CCO3)C2)cc(O)c1O ZINC001204344796 939758583 /nfs/dbraw/zinc/75/85/83/939758583.db2.gz DJINLJUPMFXKQM-HNNXBMFYSA-N 1 1 279.336 1.861 20 10 CDCDMO [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC001205220470 939837865 /nfs/dbraw/zinc/83/78/65/939837865.db2.gz KLSKKDFXILCBRI-CQSZACIVSA-N 1 1 268.332 1.207 20 10 CDCDMO COc1cc(C)c(C[N@H+]2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001205305155 939879554 /nfs/dbraw/zinc/87/95/54/939879554.db2.gz FMMBFPVEEKODAN-ZDUSSCGKSA-N 1 1 292.379 1.226 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c1 ZINC001206156323 939987810 /nfs/dbraw/zinc/98/78/10/939987810.db2.gz QCEDAGXYLDXWET-OLZOCXBDSA-N 1 1 268.332 1.662 20 10 CDCDMO COc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c1 ZINC001206156323 939987812 /nfs/dbraw/zinc/98/78/12/939987812.db2.gz QCEDAGXYLDXWET-OLZOCXBDSA-N 1 1 268.332 1.662 20 10 CDCDMO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206200119 939997423 /nfs/dbraw/zinc/99/74/23/939997423.db2.gz QIOPPGWQUWIHJQ-NWDGAFQWSA-N 1 1 298.358 1.671 20 10 CDCDMO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001206238013 940003215 /nfs/dbraw/zinc/00/32/15/940003215.db2.gz PBBZSTXBXPPKAJ-NSHDSACASA-N 1 1 276.258 1.563 20 10 CDCDMO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001206238013 940003219 /nfs/dbraw/zinc/00/32/19/940003219.db2.gz PBBZSTXBXPPKAJ-NSHDSACASA-N 1 1 276.258 1.563 20 10 CDCDMO Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2COC[NH2+]2)cc1 ZINC001218954957 941293344 /nfs/dbraw/zinc/29/33/44/941293344.db2.gz IBFITKCLZGPHHE-INIZCTEOSA-N 1 1 297.358 1.748 20 10 CDCDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231636437 942951550 /nfs/dbraw/zinc/95/15/50/942951550.db2.gz VRWIZHQDRSDVLK-JTQLQIEISA-N 1 1 295.335 1.491 20 10 CDCDMO COc1cc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c(O)cc1O ZINC001231637142 942951651 /nfs/dbraw/zinc/95/16/51/942951651.db2.gz FYTOGEMSKLPTBO-NSHDSACASA-N 1 1 294.351 1.159 20 10 CDCDMO COc1cc(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)c(O)cc1O ZINC001231639303 942955818 /nfs/dbraw/zinc/95/58/18/942955818.db2.gz 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CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](O)C2)c1O ZINC000061711088 518287181 /nfs/dbraw/zinc/28/71/81/518287181.db2.gz SANIVBQHUCDKFF-NSHDSACASA-N 1 1 253.273 1.301 20 10 CDCDMO CC[N@@H+](CC(N)=O)Cc1cc(Br)ccc1O ZINC000076118575 520434929 /nfs/dbraw/zinc/43/49/29/520434929.db2.gz GEPRKYCEJZYYTE-UHFFFAOYSA-N 1 1 287.157 1.462 20 10 CDCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000278178524 521869527 /nfs/dbraw/zinc/86/95/27/521869527.db2.gz GOQQJHAMVSVVRG-LLVKDONJSA-N 1 1 296.323 1.920 20 10 CDCDMO CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278873826 522572565 /nfs/dbraw/zinc/57/25/65/522572565.db2.gz NFPKVTJQHUEXMM-VIFPVBQESA-N 1 1 270.285 1.170 20 10 CDCDMO COc1cccc(C[N@H+]2CCC[C@@](C)(O)C2)c1O ZINC000129527368 525939922 /nfs/dbraw/zinc/93/99/22/525939922.db2.gz ZASMRFKQZBIVHQ-CQSZACIVSA-N 1 1 251.326 1.748 20 10 CDCDMO COc1cccc(CN2CC[NH+](C3CC3)CC2)c1O ZINC000127931158 525946745 /nfs/dbraw/zinc/94/67/45/525946745.db2.gz CFBCOWBPWJAROL-UHFFFAOYSA-N 1 1 262.353 1.681 20 10 CDCDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1c(O)cccc1OC ZINC000769566774 575360683 /nfs/dbraw/zinc/36/06/83/575360683.db2.gz HRXKWZCONPCYNH-SNVBAGLBSA-N 1 1 266.341 1.215 20 10 CDCDMO CC1=CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768465912 576287991 /nfs/dbraw/zinc/28/79/91/576287991.db2.gz SHZBPHVZZFOJKD-CQSZACIVSA-N 1 1 261.321 1.970 20 10 CDCDMO COc1cccc(O)c1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000769208076 576337614 /nfs/dbraw/zinc/33/76/14/576337614.db2.gz UNELGEGXLNEDBA-LLVKDONJSA-N 1 1 276.336 1.207 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000769208076 576337615 /nfs/dbraw/zinc/33/76/15/576337615.db2.gz UNELGEGXLNEDBA-LLVKDONJSA-N 1 1 276.336 1.207 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000769304740 576344066 /nfs/dbraw/zinc/34/40/66/576344066.db2.gz DDLPFDOJKGJPFS-LBPRGKRZSA-N 1 1 293.363 1.986 20 10 CDCDMO COC(=O)C(C)(C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000769305037 576344140 /nfs/dbraw/zinc/34/41/40/576344140.db2.gz GVLNXBDHLYFQGR-UHFFFAOYSA-N 1 1 281.308 1.504 20 10 CDCDMO COC(=O)C(C)(C)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000769305037 576344142 /nfs/dbraw/zinc/34/41/42/576344142.db2.gz GVLNXBDHLYFQGR-UHFFFAOYSA-N 1 1 281.308 1.504 20 10 CDCDMO Cc1cc(O)c(CN2CC[NH+](CCCCO)CC2)cc1C ZINC000769393350 576351370 /nfs/dbraw/zinc/35/13/70/576351370.db2.gz AKAPRFSTNARGSQ-UHFFFAOYSA-N 1 1 292.423 1.899 20 10 CDCDMO CCOc1ccc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC000769481679 576358144 /nfs/dbraw/zinc/35/81/44/576358144.db2.gz DGHNDYZBIKZYQZ-HOCLYGCPSA-N 1 1 292.379 1.306 20 10 CDCDMO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000893994171 618235627 /nfs/dbraw/zinc/23/56/27/618235627.db2.gz BHEFASBZHQFPBX-QMMMGPOBSA-N 1 1 273.279 1.911 20 10 CDCDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000893994171 618235631 /nfs/dbraw/zinc/23/56/31/618235631.db2.gz BHEFASBZHQFPBX-QMMMGPOBSA-N 1 1 273.279 1.911 20 10 CDCDMO COC[C@@]1(CO)CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000894929504 619149197 /nfs/dbraw/zinc/14/91/97/619149197.db2.gz PFLFWZHHUOWCQS-INIZCTEOSA-N 1 1 295.379 1.540 20 10 CDCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1Cl ZINC000895326208 619564017 /nfs/dbraw/zinc/56/40/17/619564017.db2.gz VZWLMOBAKHAJKE-FZMZJTMJSA-N 1 1 285.771 1.672 20 10 CDCDMO CCOc1ccc(O)c(C[NH+]2CC(N3CCCC3=O)C2)c1 ZINC000897786390 621122213 /nfs/dbraw/zinc/12/22/13/621122213.db2.gz NWEUZUGIMOERSX-UHFFFAOYSA-N 1 1 290.363 1.598 20 10 CDCDMO COc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898189238 621384961 /nfs/dbraw/zinc/38/49/61/621384961.db2.gz YCNXYFJNZJBZGF-WCQYABFASA-N 1 1 255.289 1.306 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898189238 621384965 /nfs/dbraw/zinc/38/49/65/621384965.db2.gz YCNXYFJNZJBZGF-WCQYABFASA-N 1 1 255.289 1.306 20 10 CDCDMO C[C@H](O)[C@H](O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000929185627 621562925 /nfs/dbraw/zinc/56/29/25/621562925.db2.gz WFJWGUSJQUSOOS-WMLDXEAASA-N 1 1 292.423 1.850 20 10 CDCDMO COc1cc(Br)cc(C[NH2+][C@@H](C)CN)c1O ZINC000841063113 621617814 /nfs/dbraw/zinc/61/78/14/621617814.db2.gz GYJZIPWTAMJDRY-ZETCQYMHSA-N 1 1 289.173 1.600 20 10 CDCDMO C[NH+](C)C1CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC001237620831 1167395682 /nfs/dbraw/zinc/39/56/82/1167395682.db2.gz ZBMOHDDPRUELRU-UHFFFAOYSA-N 1 1 258.724 1.931 20 10 CDCDMO CC[N@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)C1 ZINC000804381489 735284395 /nfs/dbraw/zinc/28/43/95/735284395.db2.gz OPDCBJXEZLQYLS-PZBABLGHSA-N 1 1 290.363 1.664 20 10 CDCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1COC[C@H]1O ZINC000830648885 735217128 /nfs/dbraw/zinc/21/71/28/735217128.db2.gz UZRPFDSIKAXBSK-PSASIEDQSA-N 1 1 261.680 1.034 20 10 CDCDMO CCOc1cccc(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1O ZINC000824893031 735462238 /nfs/dbraw/zinc/46/22/38/735462238.db2.gz IYZCYTWMOGGORQ-GXTWGEPZSA-N 1 1 276.380 1.927 20 10 CDCDMO CCOc1cccc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1O ZINC000824893031 735462239 /nfs/dbraw/zinc/46/22/39/735462239.db2.gz IYZCYTWMOGGORQ-GXTWGEPZSA-N 1 1 276.380 1.927 20 10 CDCDMO CCOc1cccc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1O ZINC000824893031 735462240 /nfs/dbraw/zinc/46/22/40/735462240.db2.gz IYZCYTWMOGGORQ-GXTWGEPZSA-N 1 1 276.380 1.927 20 10 CDCDMO COc1cccc(O)c1C[N@@H+](C)CC1CC(O)C1 ZINC000785984601 735488141 /nfs/dbraw/zinc/48/81/41/735488141.db2.gz OIROWPFVXHQXTN-UHFFFAOYSA-N 1 1 251.326 1.604 20 10 CDCDMO C[C@@H]1OCC[C@H]1NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045715 733228701 /nfs/dbraw/zinc/22/87/01/733228701.db2.gz OTJMIFVVWQPSAE-NILFDRSVSA-N 1 1 263.385 1.519 20 10 CDCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncnn2C)c1 ZINC000182393661 733398908 /nfs/dbraw/zinc/39/89/08/733398908.db2.gz MDXVBERDKWBTMO-SECBINFHSA-N 1 1 262.313 1.380 20 10 CDCDMO OC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1CCCOC1 ZINC000883146514 733421431 /nfs/dbraw/zinc/42/14/31/733421431.db2.gz PDLJCBHIYLEZAQ-NOZJJQNGSA-N 1 1 287.306 1.548 20 10 CDCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](F)C1)[C@@H](O)CO2 ZINC000840103650 733462100 /nfs/dbraw/zinc/46/21/00/733462100.db2.gz NIUJHEVWXKTPTL-SKDRFNHKSA-N 1 1 253.273 1.362 20 10 CDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](F)C1)[C@@H](O)CO2 ZINC000840103650 733462105 /nfs/dbraw/zinc/46/21/05/733462105.db2.gz NIUJHEVWXKTPTL-SKDRFNHKSA-N 1 1 253.273 1.362 20 10 CDCDMO CC(C)[N@@H+](CC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000161667894 733598137 /nfs/dbraw/zinc/59/81/37/733598137.db2.gz FKUWOXDZLFBHHX-UHFFFAOYSA-N 1 1 291.395 1.219 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1O ZINC000808228799 733749081 /nfs/dbraw/zinc/74/90/81/733749081.db2.gz LPWABBVWVRGKEQ-NSHDSACASA-N 1 1 278.352 1.407 20 10 CDCDMO C[N@@H+](CCNC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000844970099 733794832 /nfs/dbraw/zinc/79/48/32/733794832.db2.gz JUPCSIHYWKWAMS-UHFFFAOYSA-N 1 1 297.786 1.939 20 10 CDCDMO CNC(=O)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000132594449 733863199 /nfs/dbraw/zinc/86/31/99/733863199.db2.gz XBXUSIFVEUVATF-UHFFFAOYSA-N 1 1 287.157 1.333 20 10 CDCDMO CNC(=O)C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000132594449 733863201 /nfs/dbraw/zinc/86/32/01/733863201.db2.gz XBXUSIFVEUVATF-UHFFFAOYSA-N 1 1 287.157 1.333 20 10 CDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@H](C)O1 ZINC000877612958 733930052 /nfs/dbraw/zinc/93/00/52/733930052.db2.gz ZLHFIOLZBUFDTA-FZMZJTMJSA-N 1 1 279.336 1.463 20 10 CDCDMO COCCCNC(=O)C[N@@H+](C)Cc1cc(C)ccc1O ZINC000121456608 734045821 /nfs/dbraw/zinc/04/58/21/734045821.db2.gz NIUQNLCGIHZECL-UHFFFAOYSA-N 1 1 280.368 1.285 20 10 CDCDMO COc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CN)c1O ZINC000226338771 734116268 /nfs/dbraw/zinc/11/62/68/734116268.db2.gz BILZQOTXMNOBLR-AAEUAGOBSA-N 1 1 264.369 1.960 20 10 CDCDMO COc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2CN)c1O ZINC000226338771 734116275 /nfs/dbraw/zinc/11/62/75/734116275.db2.gz BILZQOTXMNOBLR-AAEUAGOBSA-N 1 1 264.369 1.960 20 10 CDCDMO CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c(O)c1 ZINC000840956988 734131716 /nfs/dbraw/zinc/13/17/16/734131716.db2.gz CGVKWOGCUICLJE-CYBMUJFWSA-N 1 1 292.379 1.701 20 10 CDCDMO COC1CC[NH+](Cc2cn(-c3ccc(N)cc3)nn2)CC1 ZINC000864620530 734137358 /nfs/dbraw/zinc/13/73/58/734137358.db2.gz QZWVAQCPQPQTGK-UHFFFAOYSA-N 1 1 287.367 1.460 20 10 CDCDMO COC(=O)N(C)CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886637621 734225972 /nfs/dbraw/zinc/22/59/72/734225972.db2.gz AYBHJIMKVQNTCR-VIFPVBQESA-N 1 1 270.304 1.880 20 10 CDCDMO CC[N@@H+](CCCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876766618 734268015 /nfs/dbraw/zinc/26/80/15/734268015.db2.gz OKEILWITVAZZQQ-UHFFFAOYSA-N 1 1 292.423 1.852 20 10 CDCDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000840957157 734289887 /nfs/dbraw/zinc/28/98/87/734289887.db2.gz GRLIAVFUHKNRRV-SNVBAGLBSA-N 1 1 266.316 1.441 20 10 CDCDMO OC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1CO ZINC000877764482 734458530 /nfs/dbraw/zinc/45/85/30/734458530.db2.gz FTOBUUBPWCRYRV-PHIMTYICSA-N 1 1 271.744 1.078 20 10 CDCDMO Cc1ccc(O)c([C@@H](C)NC[C@@H](O)C[NH+](C)C)c1 ZINC000717354932 734528008 /nfs/dbraw/zinc/52/80/08/734528008.db2.gz RNCIQEAZWWPKFZ-VXGBXAGGSA-N 1 1 252.358 1.274 20 10 CDCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nnnn1C ZINC000786785598 734558390 /nfs/dbraw/zinc/55/83/90/734558390.db2.gz PACKCUCZPDTVME-WDEREUQCSA-N 1 1 274.372 1.688 20 10 CDCDMO CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(F)cc1O ZINC000796798203 734706304 /nfs/dbraw/zinc/70/63/04/734706304.db2.gz OZAJLJJFHDXLMW-KWQFWETISA-N 1 1 254.305 1.836 20 10 CDCDMO C[N@@H+](CCOCCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000800545271 734896139 /nfs/dbraw/zinc/89/61/39/734896139.db2.gz LLWARJUSPONREC-UHFFFAOYSA-N 1 1 277.723 1.625 20 10 CDCDMO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c(O)c1OC ZINC000894270144 734902917 /nfs/dbraw/zinc/90/29/17/734902917.db2.gz BZDYUIWYSUVQAA-TXEJJXNPSA-N 1 1 295.335 1.009 20 10 CDCDMO COc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c(O)c1OC ZINC000894270144 734902920 /nfs/dbraw/zinc/90/29/20/734902920.db2.gz BZDYUIWYSUVQAA-TXEJJXNPSA-N 1 1 295.335 1.009 20 10 CDCDMO CCOc1ccc(O)c(CN2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000843052442 734908074 /nfs/dbraw/zinc/90/80/74/734908074.db2.gz UDJWKNBGRRPBPM-RISCZKNCSA-N 1 1 264.369 1.960 20 10 CDCDMO CCn1ncnc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846168012 734937330 /nfs/dbraw/zinc/93/73/30/734937330.db2.gz PXRRTYLGAGMBPR-SNVBAGLBSA-N 1 1 276.340 1.863 20 10 CDCDMO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(F)cc1O ZINC000704356764 734940203 /nfs/dbraw/zinc/94/02/03/734940203.db2.gz NFVIKRPSNXNWOH-SKDRFNHKSA-N 1 1 266.316 1.803 20 10 CDCDMO CCn1ncnc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840940719 734940887 /nfs/dbraw/zinc/94/08/87/734940887.db2.gz CNDWQCLKNIUGLZ-UHFFFAOYSA-N 1 1 273.384 1.962 20 10 CDCDMO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1c(O)cccc1F ZINC000886588036 735140404 /nfs/dbraw/zinc/14/04/04/735140404.db2.gz KCGLEFOZGAGARF-SECBINFHSA-N 1 1 292.314 1.335 20 10 CDCDMO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1c(O)cccc1F ZINC000886631069 735631299 /nfs/dbraw/zinc/63/12/99/735631299.db2.gz BQGHURNPPMTWCI-IINYFYTJSA-N 1 1 269.316 1.723 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c1 ZINC000190051357 735718304 /nfs/dbraw/zinc/71/83/04/735718304.db2.gz CYWPBHSFQUMRHU-GWCFXTLKSA-N 1 1 251.326 1.604 20 10 CDCDMO OC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@H]1O ZINC000840975339 736148452 /nfs/dbraw/zinc/14/84/52/736148452.db2.gz NIHIBYALHUKRDC-BXKDBHETSA-N 1 1 271.744 1.221 20 10 CDCDMO CCN1CCC[N@@H+](Cc2c(O)ccc3ccncc32)CC1=O ZINC000787233610 736285297 /nfs/dbraw/zinc/28/52/97/736285297.db2.gz QFZHHIRRVUNMRK-UHFFFAOYSA-N 1 1 299.374 1.995 20 10 CDCDMO NC(=O)[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000157159229 736331839 /nfs/dbraw/zinc/33/18/39/736331839.db2.gz PJFMGSYIAIYVBH-VIFPVBQESA-N 1 1 299.168 1.462 20 10 CDCDMO NC(=O)[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000157159229 736331850 /nfs/dbraw/zinc/33/18/50/736331850.db2.gz PJFMGSYIAIYVBH-VIFPVBQESA-N 1 1 299.168 1.462 20 10 CDCDMO Oc1cc2c(cc1O)C[N@@H+](C[C@@H]1CCOC1)CCC2 ZINC001202530769 1165174582 /nfs/dbraw/zinc/17/45/82/1165174582.db2.gz USCONORMAYUTFJ-NSHDSACASA-N 1 1 263.337 1.883 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000690787922 898213963 /nfs/dbraw/zinc/21/39/63/898213963.db2.gz BPNFHFIFHRCRFO-YPMHNXCESA-N 1 1 263.337 1.869 20 10 CDCDMO COC(C[N@H+](C)Cc1cc(F)c(F)cc1O)OC ZINC001142527127 908866117 /nfs/dbraw/zinc/86/61/17/908866117.db2.gz LPDJRIAIAJJBGQ-UHFFFAOYSA-N 1 1 261.268 1.721 20 10 CDCDMO COC(C[N@@H+](C)Cc1cc(F)c(F)cc1O)OC ZINC001142527127 908866134 /nfs/dbraw/zinc/86/61/34/908866134.db2.gz LPDJRIAIAJJBGQ-UHFFFAOYSA-N 1 1 261.268 1.721 20 10 CDCDMO CC(C)[N@@H+](C)CC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001142586972 909508389 /nfs/dbraw/zinc/50/83/89/909508389.db2.gz WWDLSPZIKXYIMH-UHFFFAOYSA-N 1 1 292.379 1.713 20 10 CDCDMO Cc1cc(C[NH+]2CC(N3CC(F)C3)C2)ccc1N(C)C ZINC001139669772 936326915 /nfs/dbraw/zinc/32/69/15/936326915.db2.gz MQBRYLZMNHVEMJ-UHFFFAOYSA-N 1 1 277.387 1.899 20 10 CDCDMO COc1cc(O)c(C[N@@H+]2CCC(=O)N(C)CC2)cc1OC ZINC000827359308 936589012 /nfs/dbraw/zinc/58/90/12/936589012.db2.gz LJAYGRQQWKBSAD-UHFFFAOYSA-N 1 1 294.351 1.074 20 10 CDCDMO CC(=O)C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140282506 936697594 /nfs/dbraw/zinc/69/75/94/936697594.db2.gz BKTWPXXTSCQUKG-UHFFFAOYSA-N 1 1 276.380 1.669 20 10 CDCDMO CC(=O)C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140282506 936697595 /nfs/dbraw/zinc/69/75/95/936697595.db2.gz BKTWPXXTSCQUKG-UHFFFAOYSA-N 1 1 276.380 1.669 20 10 CDCDMO C[C@@]1(CO)C[N@@H+](Cc2c(O)cccc2Cl)CC[C@H]1O ZINC001140337990 936702923 /nfs/dbraw/zinc/70/29/23/936702923.db2.gz PYSJLTHPPKDJPQ-KGLIPLIRSA-N 1 1 285.771 1.611 20 10 CDCDMO OC[C@@]1(F)CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461932 936712768 /nfs/dbraw/zinc/71/27/68/936712768.db2.gz YZTWGUOHRCQMKO-GFCCVEGCSA-N 1 1 259.708 1.952 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c1 ZINC001140617256 936731263 /nfs/dbraw/zinc/73/12/63/936731263.db2.gz JASBTUXNRQIGRK-GXTWGEPZSA-N 1 1 253.317 1.995 20 10 CDCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)CC1COC1 ZINC001140664049 936736481 /nfs/dbraw/zinc/73/64/81/936736481.db2.gz WLCJVQCIMRTNKP-UHFFFAOYSA-N 1 1 294.370 1.741 20 10 CDCDMO Cc1c(O)ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c1O ZINC001140742616 936748552 /nfs/dbraw/zinc/74/85/52/936748552.db2.gz SLSAEHMBNVLASZ-BXKDBHETSA-N 1 1 251.326 1.751 20 10 CDCDMO Cc1c(O)ccc(C[N@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)c1O ZINC001140747878 936749477 /nfs/dbraw/zinc/74/94/77/936749477.db2.gz NRLMGEIPNKQRJE-CZUORRHYSA-N 1 1 276.380 1.790 20 10 CDCDMO Cc1c(O)ccc(C[N@@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)c1O ZINC001140747878 936749479 /nfs/dbraw/zinc/74/94/79/936749479.db2.gz NRLMGEIPNKQRJE-CZUORRHYSA-N 1 1 276.380 1.790 20 10 CDCDMO Cc1c(O)ccc(C[NH+]2CCN(C(=O)C(C)C)CC2)c1O ZINC001140749477 936749881 /nfs/dbraw/zinc/74/98/81/936749881.db2.gz BKALPBYONJDALD-UHFFFAOYSA-N 1 1 292.379 1.706 20 10 CDCDMO COCCOC1C[NH+](Cc2ccc(O)c(C)c2O)C1 ZINC001140751154 936750178 /nfs/dbraw/zinc/75/01/78/936750178.db2.gz LPTRGMUSULLWAB-UHFFFAOYSA-N 1 1 267.325 1.253 20 10 CDCDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c(O)c1 ZINC001140948140 936782152 /nfs/dbraw/zinc/78/21/52/936782152.db2.gz VHUJWHPOYDFOLQ-QWHCGFSZSA-N 1 1 253.317 1.995 20 10 CDCDMO COc1cc(O)c(C[N@@H+]2CC[C@H](OC)C2)c(OC)c1 ZINC001141032101 936795486 /nfs/dbraw/zinc/79/54/86/936795486.db2.gz SCKGXXXUARHUJL-JTQLQIEISA-N 1 1 267.325 1.630 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](CO)C2)c(OC)c1 ZINC001141027264 936793932 /nfs/dbraw/zinc/79/39/32/936793932.db2.gz SEZUWEHNPNSSGI-SNVBAGLBSA-N 1 1 267.325 1.224 20 10 CDCDMO C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1O ZINC001141141113 936818468 /nfs/dbraw/zinc/81/84/68/936818468.db2.gz UEGDMPGCJLUVCL-DOMZBBRYSA-N 1 1 276.380 1.718 20 10 CDCDMO CN1CCOc2cc(C[NH+]3CC(C)(CO)C3)ccc21 ZINC001141140122 936818942 /nfs/dbraw/zinc/81/89/42/936818942.db2.gz ITLJCUSLULQESO-UHFFFAOYSA-N 1 1 262.353 1.329 20 10 CDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203876015 925118549 /nfs/dbraw/zinc/11/85/49/925118549.db2.gz ZSJRNRQCACDBLW-PWSUYJOCSA-N 1 1 251.326 1.691 20 10 CDCDMO Cc1cccc(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)c1O ZINC001273771000 925511757 /nfs/dbraw/zinc/51/17/57/925511757.db2.gz YUKITXNRFSMHBS-INIZCTEOSA-N 1 1 274.364 1.897 20 10 CDCDMO Oc1c(F)cc(F)cc1C[NH2+]CCOC[C@H]1CCOC1 ZINC000882991164 930118397 /nfs/dbraw/zinc/11/83/97/930118397.db2.gz NXRVEGQCXPITFY-JTQLQIEISA-N 1 1 287.306 1.813 20 10 CDCDMO O=C(C1=CC(=O)CS1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889757221 931365185 /nfs/dbraw/zinc/36/51/85/931365185.db2.gz UAQORHVRGAQTDE-RYUDHWBXSA-N 1 1 296.392 1.125 20 10 CDCDMO O=C(C1=CC(=O)CS1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889757221 931365192 /nfs/dbraw/zinc/36/51/92/931365192.db2.gz UAQORHVRGAQTDE-RYUDHWBXSA-N 1 1 296.392 1.125 20 10 CDCDMO C[N@H+]1C[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@@H](C1)O2 ZINC001275267527 931718704 /nfs/dbraw/zinc/71/87/04/931718704.db2.gz QKWDWUKNXNJXFQ-BETUJISGSA-N 1 1 282.771 1.560 20 10 CDCDMO C[N@@H+]1C[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@@H](C1)O2 ZINC001275267527 931718707 /nfs/dbraw/zinc/71/87/07/931718707.db2.gz QKWDWUKNXNJXFQ-BETUJISGSA-N 1 1 282.771 1.560 20 10 CDCDMO Oc1cc(O)c(C[N@H+]2CCC[C@](O)(CF)CC2)c(O)c1 ZINC001144499411 931858815 /nfs/dbraw/zinc/85/88/15/931858815.db2.gz GEGCSTWABJKNHW-CQSZACIVSA-N 1 1 285.315 1.490 20 10 CDCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144499878 931859095 /nfs/dbraw/zinc/85/90/95/931859095.db2.gz NJTJNLJFKHFGBC-BDAKNGLRSA-N 1 1 253.298 1.149 20 10 CDCDMO Oc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c(O)c1 ZINC001144500430 931860438 /nfs/dbraw/zinc/86/04/38/931860438.db2.gz TZEFVPBHCVLRDK-WDEREUQCSA-N 1 1 271.288 1.098 20 10 CDCDMO CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144515179 931878486 /nfs/dbraw/zinc/87/84/86/931878486.db2.gz GXOFXQFQUFDNQZ-MEBBXXQBSA-N 1 1 278.352 1.187 20 10 CDCDMO CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144515179 931878491 /nfs/dbraw/zinc/87/84/91/931878491.db2.gz GXOFXQFQUFDNQZ-MEBBXXQBSA-N 1 1 278.352 1.187 20 10 CDCDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144515365 931878806 /nfs/dbraw/zinc/87/88/06/931878806.db2.gz LEZNEXJLAVMDMM-CYBMUJFWSA-N 1 1 267.325 1.539 20 10 CDCDMO CC(=O)[C@H]1CCCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144515598 931880729 /nfs/dbraw/zinc/88/07/29/931880729.db2.gz RTDLTZOFZGCLTA-GFCCVEGCSA-N 1 1 265.309 1.747 20 10 CDCDMO C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(F)c(F)cc1O)C2 ZINC001275773154 932015598 /nfs/dbraw/zinc/01/55/98/932015598.db2.gz GQYSQYKFCBIOCT-KOLCDFICSA-N 1 1 268.307 1.806 20 10 CDCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001138131325 932481879 /nfs/dbraw/zinc/48/18/79/932481879.db2.gz WKEMPYYEOODEFB-LBPRGKRZSA-N 1 1 289.310 1.975 20 10 CDCDMO Oc1c(F)cccc1C[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001138131325 932481883 /nfs/dbraw/zinc/48/18/83/932481883.db2.gz WKEMPYYEOODEFB-LBPRGKRZSA-N 1 1 289.310 1.975 20 10 CDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC001138494995 934462333 /nfs/dbraw/zinc/46/23/33/934462333.db2.gz AQFYUULTNRMMLO-RHSMWYFYSA-N 1 1 290.407 1.726 20 10 CDCDMO COc1cc(N(C)C)ccc1CN1CCC(F)(F)[C@@H]([NH3+])C1 ZINC001206673908 938769238 /nfs/dbraw/zinc/76/92/38/938769238.db2.gz AEZNEOROYBCPTO-AWEZNQCLSA-N 1 1 299.365 1.930 20 10 CDCDMO COc1cccc(C[N@H+]2CCCC[C@H](O)C2)c1O ZINC001203585732 939694979 /nfs/dbraw/zinc/69/49/79/939694979.db2.gz SVQIDRAZAKHGEO-LBPRGKRZSA-N 1 1 251.326 1.748 20 10 CDCDMO COCCCN1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203596513 939695215 /nfs/dbraw/zinc/69/52/15/939695215.db2.gz GCDUNNYXSWWJPR-UHFFFAOYSA-N 1 1 294.395 1.555 20 10 CDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CC12CC2 ZINC001203882262 939711287 /nfs/dbraw/zinc/71/12/87/939711287.db2.gz AQIDMZBGQDSXQC-NSHDSACASA-N 1 1 277.320 1.483 20 10 CDCDMO OC[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)CC1 ZINC001204275859 939749767 /nfs/dbraw/zinc/74/97/67/939749767.db2.gz CXUPCGQUCMXTKO-LLVKDONJSA-N 1 1 251.326 1.692 20 10 CDCDMO CC(C)N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204272460 939750011 /nfs/dbraw/zinc/75/00/11/939750011.db2.gz OIJVTVTXEZEXQB-UHFFFAOYSA-N 1 1 250.342 1.624 20 10 CDCDMO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(O)cc2O)C1 ZINC001204278094 939751204 /nfs/dbraw/zinc/75/12/04/939751204.db2.gz SQYNAHDJRLFZGE-ZDUSSCGKSA-N 1 1 278.352 1.541 20 10 CDCDMO CC(C)CC(=O)N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278303 939751255 /nfs/dbraw/zinc/75/12/55/939751255.db2.gz DGQQIVCZUNDHLQ-UHFFFAOYSA-N 1 1 292.379 1.788 20 10 CDCDMO Oc1ccc(C[NH+]2CC(N3CCC(F)CC3)C2)c(O)c1 ZINC001204277820 939751275 /nfs/dbraw/zinc/75/12/75/939751275.db2.gz BOWZXCZOOCRPBY-UHFFFAOYSA-N 1 1 280.343 1.716 20 10 CDCDMO CC(C)C(=O)N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277447 939751717 /nfs/dbraw/zinc/75/17/17/939751717.db2.gz DTEVDWGVMYWOJE-UHFFFAOYSA-N 1 1 278.352 1.398 20 10 CDCDMO COc1cc(C[N@H+]2CCCC[C@H]2CO)cc(O)c1O ZINC001204340490 939756514 /nfs/dbraw/zinc/75/65/14/939756514.db2.gz TYLGANPOYSIUTI-NSHDSACASA-N 1 1 267.325 1.453 20 10 CDCDMO [NH3+][C@H]1C[C@@H](F)CN(Cc2c(O)cc(F)cc2F)C1 ZINC001206422138 940036176 /nfs/dbraw/zinc/03/61/76/940036176.db2.gz BXWDYGSORSZDDK-BDAKNGLRSA-N 1 1 260.259 1.542 20 10 CDCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1O ZINC000179579865 940829155 /nfs/dbraw/zinc/82/91/55/940829155.db2.gz OPKZBYXKHWMOLT-NSHDSACASA-N 1 1 264.325 1.241 20 10 CDCDMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c(O)c1 ZINC001277454324 942612503 /nfs/dbraw/zinc/61/25/03/942612503.db2.gz QWYGALRDHFHKIV-JJLQDPRZSA-N 1 1 290.363 1.344 20 10 CDCDMO NC(=O)[C@H]1CCSC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277483972 942774126 /nfs/dbraw/zinc/77/41/26/942774126.db2.gz FROTYFCPCKSMNO-SNVBAGLBSA-N 1 1 296.367 1.324 20 10 CDCDMO C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]2C1 ZINC001231449354 942893234 /nfs/dbraw/zinc/89/32/34/942893234.db2.gz JHEKSUJRVHVLIY-OCCSQVGLSA-N 1 1 290.363 1.474 20 10 CDCDMO C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]2C1 ZINC001231449354 942893241 /nfs/dbraw/zinc/89/32/41/942893241.db2.gz JHEKSUJRVHVLIY-OCCSQVGLSA-N 1 1 290.363 1.474 20 10 CDCDMO C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]2C1 ZINC001231449354 942893246 /nfs/dbraw/zinc/89/32/46/942893246.db2.gz JHEKSUJRVHVLIY-OCCSQVGLSA-N 1 1 290.363 1.474 20 10 CDCDMO CCC[N@@H+](CCOC)Cc1cc(OC)c(O)cc1O ZINC001231634015 942949504 /nfs/dbraw/zinc/94/95/04/942949504.db2.gz GCZHUOYUJJWGTM-UHFFFAOYSA-N 1 1 269.341 1.965 20 10 CDCDMO COc1cc(CN2CC[N@@H+](C)C(C)(C)C2)c(O)cc1O ZINC001231638156 942954512 /nfs/dbraw/zinc/95/45/12/942954512.db2.gz WBZVQIPLRHREJQ-UHFFFAOYSA-N 1 1 280.368 1.632 20 10 CDCDMO COc1cc(C[N@@H+]2CCN(C)C(C)(C)C2)c(O)cc1O ZINC001231638156 942954517 /nfs/dbraw/zinc/95/45/17/942954517.db2.gz WBZVQIPLRHREJQ-UHFFFAOYSA-N 1 1 280.368 1.632 20 10 CDCDMO COc1cc(C[N@H+]2CCN(C)C(C)(C)C2)c(O)cc1O ZINC001231638156 942954527 /nfs/dbraw/zinc/95/45/27/942954527.db2.gz WBZVQIPLRHREJQ-UHFFFAOYSA-N 1 1 280.368 1.632 20 10 CDCDMO Cc1cc(C)c(C[N@@H+](C)CCN2CCN(C)CC2)c(O)c1 ZINC001231847027 943026921 /nfs/dbraw/zinc/02/69/21/943026921.db2.gz UPSVNNGJXSKMCN-UHFFFAOYSA-N 1 1 291.439 1.688 20 10 CDCDMO Cc1cc(C)c(C[N@H+](C)CCN2CCN(C)CC2)c(O)c1 ZINC001231847027 943026926 /nfs/dbraw/zinc/02/69/26/943026926.db2.gz UPSVNNGJXSKMCN-UHFFFAOYSA-N 1 1 291.439 1.688 20 10 CDCDMO O[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198043 943166613 /nfs/dbraw/zinc/16/66/13/943166613.db2.gz FRLZCDLUJUZSGE-CYBMUJFWSA-N 1 1 296.798 1.743 20 10 CDCDMO COc1cc(O)c(C[N@@H+]2CCOC[C@@H](O)C2)cc1Cl ZINC001232264064 943195301 /nfs/dbraw/zinc/19/53/01/943195301.db2.gz DERRMQJDUYWKOK-JTQLQIEISA-N 1 1 287.743 1.247 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CCOC[C@@H](O)C2)cc1Cl ZINC001232264064 943195305 /nfs/dbraw/zinc/19/53/05/943195305.db2.gz DERRMQJDUYWKOK-JTQLQIEISA-N 1 1 287.743 1.247 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2CCCN(C)CC2)c(O)c1 ZINC001232834720 943413332 /nfs/dbraw/zinc/41/33/32/943413332.db2.gz KNXGTEMBEIVWLR-UHFFFAOYSA-N 1 1 263.385 1.596 20 10 CDCDMO CN(C)c1ccc(CN2CCC[N@H+](C)CC2)c(O)c1 ZINC001232834720 943413335 /nfs/dbraw/zinc/41/33/35/943413335.db2.gz KNXGTEMBEIVWLR-UHFFFAOYSA-N 1 1 263.385 1.596 20 10 CDCDMO CN(C)c1ccc(CN2CCC[N@@H+](C)CC2)c(O)c1 ZINC001232834720 943413337 /nfs/dbraw/zinc/41/33/37/943413337.db2.gz KNXGTEMBEIVWLR-UHFFFAOYSA-N 1 1 263.385 1.596 20 10 CDCDMO 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CN(C)C[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000131410530 521886963 /nfs/dbraw/zinc/88/69/63/521886963.db2.gz ZELQUEKTQUUZHL-OAHLLOKOSA-N 1 1 264.369 1.024 20 10 CDCDMO COCC[C@H]1COCC[N@H+]1Cc1cc(OC)ccc1O ZINC000291344575 521993954 /nfs/dbraw/zinc/99/39/54/521993954.db2.gz WIWWKIPWPAAETC-ZDUSSCGKSA-N 1 1 281.352 1.638 20 10 CDCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCOC2)cc1 ZINC000299219084 522187480 /nfs/dbraw/zinc/18/74/80/522187480.db2.gz IGNYRXCNPIBWIB-OAHLLOKOSA-N 1 1 291.395 1.090 20 10 CDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCOC2)cc1 ZINC000299219084 522187489 /nfs/dbraw/zinc/18/74/89/522187489.db2.gz IGNYRXCNPIBWIB-OAHLLOKOSA-N 1 1 291.395 1.090 20 10 CDCDMO COC[C@@H](C)OC[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000278349043 522258977 /nfs/dbraw/zinc/25/89/77/522258977.db2.gz MMYYSWUWWYNZIX-OCCSQVGLSA-N 1 1 283.368 1.236 20 10 CDCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1O ZINC000367704872 522535759 /nfs/dbraw/zinc/53/57/59/522535759.db2.gz LMWCLRFIMVFFQA-VIFPVBQESA-N 1 1 298.770 1.752 20 10 CDCDMO COCCOCCOCC[N@@H+](C)Cc1cc(C)ccc1O ZINC000276191930 524012419 /nfs/dbraw/zinc/01/24/19/524012419.db2.gz MKFMLFAZQRNLSW-UHFFFAOYSA-N 1 1 297.395 1.812 20 10 CDCDMO COc1cccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC000364892906 525939519 /nfs/dbraw/zinc/93/95/19/525939519.db2.gz PVIKXMDGADCCEY-OAHLLOKOSA-N 1 1 292.335 1.475 20 10 CDCDMO C[N@H+](Cc1cccc(Br)c1O)[C@H]1CCNC1=O ZINC000770379073 575474674 /nfs/dbraw/zinc/47/46/74/575474674.db2.gz IJXLRZQLXARRRP-JTQLQIEISA-N 1 1 299.168 1.475 20 10 CDCDMO C[N@@H+](Cc1cccc(Br)c1O)[C@H]1CCNC1=O ZINC000770379073 575474677 /nfs/dbraw/zinc/47/46/77/575474677.db2.gz IJXLRZQLXARRRP-JTQLQIEISA-N 1 1 299.168 1.475 20 10 CDCDMO CC[C@H]1C[N@@H+](Cc2c(O)cccc2OC)C[C@@H]1O ZINC000770380752 575475747 /nfs/dbraw/zinc/47/57/47/575475747.db2.gz NPVFPINRFOTTPU-GWCFXTLKSA-N 1 1 251.326 1.604 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C)O1 ZINC000768438358 576282462 /nfs/dbraw/zinc/28/24/62/576282462.db2.gz RTJRPPKVRBCCJE-RBZYPMLTSA-N 1 1 279.336 1.427 20 10 CDCDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C)O1 ZINC000768438358 576282465 /nfs/dbraw/zinc/28/24/65/576282465.db2.gz RTJRPPKVRBCCJE-RBZYPMLTSA-N 1 1 279.336 1.427 20 10 CDCDMO C[N@@H+](CCOCC1CC1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462622 576286349 /nfs/dbraw/zinc/28/63/49/576286349.db2.gz AOTGTMJUKFQYRI-HNNXBMFYSA-N 1 1 293.363 1.676 20 10 CDCDMO COc1cccc(O)c1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000763494455 576739686 /nfs/dbraw/zinc/73/96/86/576739686.db2.gz ULDVKUKGRKSJIP-JEOXALJRSA-N 1 1 283.393 1.744 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000763494455 576739688 /nfs/dbraw/zinc/73/96/88/576739688.db2.gz ULDVKUKGRKSJIP-JEOXALJRSA-N 1 1 283.393 1.744 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000840921487 617728494 /nfs/dbraw/zinc/72/84/94/617728494.db2.gz TXHPFRYEJTZEJB-CQSZACIVSA-N 1 1 261.369 1.381 20 10 CDCDMO COc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2C)c(O)c1OC ZINC000894491359 618916903 /nfs/dbraw/zinc/91/69/03/618916903.db2.gz GRNJLPJPGUXZPY-JTQLQIEISA-N 1 1 294.351 1.120 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1F ZINC000895332194 619578281 /nfs/dbraw/zinc/57/82/81/619578281.db2.gz SFXVSDQDHRJMHX-WFASDCNBSA-N 1 1 282.359 1.209 20 10 CDCDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c(O)c1OC ZINC000895515600 619705581 /nfs/dbraw/zinc/70/55/81/619705581.db2.gz WPIQZJWFKBEPMB-AAEUAGOBSA-N 1 1 295.379 1.860 20 10 CDCDMO CC[N@@H+](CCC(N)=O)Cc1cc(OC)ccc1O ZINC000896713665 620210454 /nfs/dbraw/zinc/21/04/54/620210454.db2.gz ZGDXNCHPPOJIGL-UHFFFAOYSA-N 1 1 252.314 1.098 20 10 CDCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000897684689 621073615 /nfs/dbraw/zinc/07/36/15/621073615.db2.gz VEXIDDYYVOLFPN-YGRLFVJLSA-N 1 1 251.326 1.604 20 10 CDCDMO [NH3+]CC(F)(F)CNCc1c(O)cccc1Cl ZINC000841059927 621608088 /nfs/dbraw/zinc/60/80/88/621608088.db2.gz MSTUSRVCOVNPCO-UHFFFAOYSA-N 1 1 250.676 1.729 20 10 CDCDMO O=C(C[NH2+]Cc1cccc(Br)c1O)NC1CC1 ZINC000042411940 623893082 /nfs/dbraw/zinc/89/30/82/623893082.db2.gz DQYPXFLDLZEYNO-UHFFFAOYSA-N 1 1 299.168 1.523 20 10 CDCDMO C[C@H]([NH2+]CC1(N)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000902417726 624780833 /nfs/dbraw/zinc/78/08/33/624780833.db2.gz ZJJLTHQKKUFLAF-LBPRGKRZSA-N 1 1 293.386 1.804 20 10 CDCDMO C[C@@H](O)[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000929969632 632180864 /nfs/dbraw/zinc/18/08/64/632180864.db2.gz OZRNCOJOXIQBNR-MLGOLLRUSA-N 1 1 291.347 1.729 20 10 CDCDMO C[C@@H](O)[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000929969633 632181288 /nfs/dbraw/zinc/18/12/88/632181288.db2.gz OZRNCOJOXIQBNR-WBMJQRKESA-N 1 1 291.347 1.729 20 10 CDCDMO CCn1cnnc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921544245 633065764 /nfs/dbraw/zinc/06/57/64/633065764.db2.gz UTRJQIBTOIIGII-UHFFFAOYSA-N 1 1 272.352 1.913 20 10 CDCDMO Cc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC000876652574 1165886880 /nfs/dbraw/zinc/88/68/80/1165886880.db2.gz PYNGGXNCEIUKNV-KGLIPLIRSA-N 1 1 274.364 1.944 20 10 CDCDMO CCCN1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC000131699712 1175785753 /nfs/dbraw/zinc/78/57/53/1175785753.db2.gz OMGQSXYGBFZRAZ-UHFFFAOYSA-N 1 1 264.369 1.928 20 10 CDCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000877558334 742848405 /nfs/dbraw/zinc/84/84/05/742848405.db2.gz DEZSDBNMHJHPFE-LBPRGKRZSA-N 1 1 278.352 1.973 20 10 CDCDMO CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c(O)c1 ZINC000785985293 742978281 /nfs/dbraw/zinc/97/82/81/742978281.db2.gz UMKCOFSLEHVOLA-FZMZJTMJSA-N 1 1 265.353 1.994 20 10 CDCDMO C[C@H]1CC[N@@H+](CCNC(=O)Cc2ccc(N)cc2)C1 ZINC000844187073 743197995 /nfs/dbraw/zinc/19/79/95/743197995.db2.gz COFAEUBDAWTFQL-LBPRGKRZSA-N 1 1 261.369 1.269 20 10 CDCDMO Cc1ccc(O)c(C[N@H+](C)[C@]2(CO)CCOC2)c1 ZINC000862427006 743397724 /nfs/dbraw/zinc/39/77/24/743397724.db2.gz SJRNAVWZSPPDFQ-AWEZNQCLSA-N 1 1 251.326 1.284 20 10 CDCDMO COc1ccc(O)c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000311856402 743478605 /nfs/dbraw/zinc/47/86/05/743478605.db2.gz JTKAENINWNAOGU-SMDDNHRTSA-N 1 1 262.353 1.585 20 10 CDCDMO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1c(O)cccc1F ZINC000886628679 744965233 /nfs/dbraw/zinc/96/52/33/744965233.db2.gz YUMGUTBARBNSQQ-VIFPVBQESA-N 1 1 266.316 1.838 20 10 CDCDMO Cc1cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)ccc1N(C)C ZINC000815101182 745225640 /nfs/dbraw/zinc/22/56/40/745225640.db2.gz PQIWKEVBVOMYGM-ZBFHGGJFSA-N 1 1 278.396 1.236 20 10 CDCDMO C[N@H+]1CCCN(CCCNC(=O)C2=CC(=O)CS2)CC1 ZINC000827580228 745654492 /nfs/dbraw/zinc/65/44/92/745654492.db2.gz RSYVLNANERVTIO-UHFFFAOYSA-N 1 1 297.424 1.211 20 10 CDCDMO Cc1ccc(C[N@H+](C)[C@@H]2CCCCNC2=O)c(O)c1 ZINC000876654645 745672987 /nfs/dbraw/zinc/67/29/87/745672987.db2.gz LFLFIMKQDZVOSM-CYBMUJFWSA-N 1 1 262.353 1.801 20 10 CDCDMO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708435069 745845795 /nfs/dbraw/zinc/84/57/95/745845795.db2.gz AUJUECXJHQQPSH-WDEREUQCSA-N 1 1 257.280 1.919 20 10 CDCDMO CCC[N@@H+]1CC[C@H](NCc2c(O)cccc2OC)C1 ZINC000850394935 745889731 /nfs/dbraw/zinc/88/97/31/745889731.db2.gz 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CC[N@@H+](CCn1ccnc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204349571 939759551 /nfs/dbraw/zinc/75/95/51/939759551.db2.gz UWFUBNZDLPRYKD-UHFFFAOYSA-N 1 1 291.351 1.825 20 10 CDCDMO COC[C@@H]1CC[N@@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204351533 939760016 /nfs/dbraw/zinc/76/00/16/939760016.db2.gz ULWACQDARZGZCT-JTQLQIEISA-N 1 1 253.298 1.327 20 10 CDCDMO COC[C@@H]1CC[N@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204351533 939760021 /nfs/dbraw/zinc/76/00/21/939760021.db2.gz ULWACQDARZGZCT-JTQLQIEISA-N 1 1 253.298 1.327 20 10 CDCDMO Cc1cccc(C[N@H+]2CCC(F)(F)[C@@H](N)C2)c1O ZINC001206674575 940076354 /nfs/dbraw/zinc/07/63/54/940076354.db2.gz DTIRZMANEIQVSR-NSHDSACASA-N 1 1 256.296 1.869 20 10 CDCDMO COc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC000187546173 941037166 /nfs/dbraw/zinc/03/71/66/941037166.db2.gz FIZRLPBCZIWXHD-OAHLLOKOSA-N 1 1 279.336 1.392 20 10 CDCDMO C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 ZINC001219664246 941374951 /nfs/dbraw/zinc/37/49/51/941374951.db2.gz WXUFAHAROMODAP-BDAKNGLRSA-N 1 1 298.770 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/nfs/dbraw/zinc/93/82/56/942938256.db2.gz MMAXDYVBNHWPCC-JKSUJKDBSA-N 1 1 290.407 1.996 20 10 CDCDMO Cc1cccc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)c1O ZINC001231591276 942938979 /nfs/dbraw/zinc/93/89/79/942938979.db2.gz YYEPAQRVORYOMI-AAEUAGOBSA-N 1 1 253.317 1.853 20 10 CDCDMO COc1cc(C[N@H+]2C[C@H](O)CC[C@H]2C)c(O)cc1O ZINC001231634201 942949290 /nfs/dbraw/zinc/94/92/90/942949290.db2.gz JHTGJHWLBRFTHP-MWLCHTKSSA-N 1 1 267.325 1.452 20 10 CDCDMO COc1cc(CN2CCC[N@H+]3CCC[C@@H]3C2)c(O)cc1O ZINC001231634894 942952233 /nfs/dbraw/zinc/95/22/33/942952233.db2.gz BDHYLPLEAQMOTM-CYBMUJFWSA-N 1 1 292.379 1.777 20 10 CDCDMO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001231849698 943028725 /nfs/dbraw/zinc/02/87/25/943028725.db2.gz WQPVURPVMQDXJO-JSGCOSHPSA-N 1 1 296.386 1.914 20 10 CDCDMO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001231849698 943028727 /nfs/dbraw/zinc/02/87/27/943028727.db2.gz WQPVURPVMQDXJO-JSGCOSHPSA-N 1 1 296.386 1.914 20 10 CDCDMO O=C1NCC[C@]12CC[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232257708 943190430 /nfs/dbraw/zinc/19/04/30/943190430.db2.gz IFLYIGBBIDMZTK-CQSZACIVSA-N 1 1 296.754 1.463 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001232835473 943414467 /nfs/dbraw/zinc/41/44/67/943414467.db2.gz CTEMSWPEWBIPSS-HOTGVXAUSA-N 1 1 294.395 1.023 20 10 CDCDMO Oc1cc(CN2CC[N@H+]3CCCC[C@H]3C2)cc(O)c1O ZINC001233012132 943462253 /nfs/dbraw/zinc/46/22/53/943462253.db2.gz IRYGXPVDQYAJST-LBPRGKRZSA-N 1 1 278.352 1.474 20 10 CDCDMO CC[N@@H+](C)C1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233016341 943464587 /nfs/dbraw/zinc/46/45/87/943464587.db2.gz SWHDZGGVVGOKAJ-UHFFFAOYSA-N 1 1 280.368 1.720 20 10 CDCDMO OCC[C@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016046 943465072 /nfs/dbraw/zinc/46/50/72/943465072.db2.gz FDUHZBICHWVVSH-SNVBAGLBSA-N 1 1 267.325 1.398 20 10 CDCDMO CNC(=O)CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1O ZINC001233454333 943588297 /nfs/dbraw/zinc/58/82/97/943588297.db2.gz QHYVLRXMBWJCPC-UHFFFAOYSA-N 1 1 290.285 1.979 20 10 CDCDMO COC(=O)CC[C@@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485840 943594416 /nfs/dbraw/zinc/59/44/16/943594416.db2.gz MWAZDKMSPSJCEG-SNVBAGLBSA-N 1 1 295.335 1.579 20 10 CDCDMO CC[N@@H+](CCn1cccn1)Cc1cc(O)c(O)cc1O ZINC001233486446 943594590 /nfs/dbraw/zinc/59/45/90/943594590.db2.gz NJEPMDMHNOOBIW-UHFFFAOYSA-N 1 1 277.324 1.522 20 10 CDCDMO C[N@H+](Cc1ccc(C(C)(C)C)cc1O)C[C@H](O)CO ZINC001235684528 944247499 /nfs/dbraw/zinc/24/74/99/944247499.db2.gz YDTFPQBMSWUJHM-ZDUSSCGKSA-N 1 1 267.369 1.475 20 10 CDCDMO CCc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c(O)c1 ZINC001236784386 944565399 /nfs/dbraw/zinc/56/53/99/944565399.db2.gz VWNGJMWPSYIFPF-STQMWFEESA-N 1 1 253.317 1.859 20 10 CDCDMO CCc1ccc(C[N@@H+](C)CC(=O)N2CCOCC2)c(O)c1 ZINC001236783532 944565546 /nfs/dbraw/zinc/56/55/46/944565546.db2.gz LHOIOUFBPKDKSX-UHFFFAOYSA-N 1 1 292.379 1.245 20 10 CDCDMO CCc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c(O)c1 ZINC001236793704 944571705 /nfs/dbraw/zinc/57/17/05/944571705.db2.gz FAZQWGPNZSGMPA-CYBMUJFWSA-N 1 1 276.336 1.591 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](CO)C2)c(Cl)c1 ZINC001236799752 944572822 /nfs/dbraw/zinc/57/28/22/944572822.db2.gz PXIHSGVBCXGRAF-SECBINFHSA-N 1 1 271.744 1.868 20 10 CDCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001236807415 944575254 /nfs/dbraw/zinc/57/52/54/944575254.db2.gz GYFRPKVAJLQILV-HZPDHXFCSA-N 1 1 295.379 1.274 20 10 CDCDMO CNC(=O)CC[N@H+](C)Cc1ccc(OC)c(Cl)c1O ZINC001236811012 944577191 /nfs/dbraw/zinc/57/71/91/944577191.db2.gz DLZZYYQZNPDAIL-UHFFFAOYSA-N 1 1 286.759 1.622 20 10 CDCDMO CNC(=O)CC[N@@H+](C)Cc1ccc(OC)c(Cl)c1O ZINC001236811012 944577196 /nfs/dbraw/zinc/57/71/96/944577196.db2.gz DLZZYYQZNPDAIL-UHFFFAOYSA-N 1 1 286.759 1.622 20 10 CDCDMO O=C([O-])c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237401469 944752306 /nfs/dbraw/zinc/75/23/06/944752306.db2.gz CXKGBIIIIXDPOW-GXTWGEPZSA-N 1 1 290.363 1.664 20 10 CDCDMO O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237402372 944755934 /nfs/dbraw/zinc/75/59/34/944755934.db2.gz HAACHQHXMSWTMS-OCCSQVGLSA-N 1 1 290.363 1.664 20 10 CDCDMO Cc1cc(F)cc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c1O ZINC001238067834 945048786 /nfs/dbraw/zinc/04/87/86/945048786.db2.gz QFSWMKYKBNNWSS-STQMWFEESA-N 1 1 250.317 1.728 20 10 CDCDMO Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c1O ZINC001238067834 945048793 /nfs/dbraw/zinc/04/87/93/945048793.db2.gz QFSWMKYKBNNWSS-STQMWFEESA-N 1 1 250.317 1.728 20 10 CDCDMO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c1O ZINC001238067834 945048803 /nfs/dbraw/zinc/04/88/03/945048803.db2.gz QFSWMKYKBNNWSS-STQMWFEESA-N 1 1 250.317 1.728 20 10 CDCDMO COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](O)C2)c(O)c1 ZINC001249173596 949444341 /nfs/dbraw/zinc/44/43/41/949444341.db2.gz UETBWGNEIOJGHQ-ZDUSSCGKSA-N 1 1 279.336 1.064 20 10 CDCDMO CC[N@@H+](Cc1ccc(CC(=O)OC)cc1O)C1COC1 ZINC001249208279 949459179 /nfs/dbraw/zinc/45/91/79/949459179.db2.gz RDQUDQAUSZCYIM-UHFFFAOYSA-N 1 1 279.336 1.328 20 10 CDCDMO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCNC1=O ZINC001327031281 954667499 /nfs/dbraw/zinc/66/74/99/954667499.db2.gz KLWCCPMADGKWPV-MRXNPFEDSA-N 1 1 287.407 1.997 20 10 CDCDMO COc1cc(C)c(C[N@@H+](C)CCCCO)c(O)c1 ZINC001308694893 956562549 /nfs/dbraw/zinc/56/25/49/956562549.db2.gz XXMZEIYEZQEDGC-UHFFFAOYSA-N 1 1 253.342 1.914 20 10 CDCDMO CNC(=O)C1([NH2+]Cc2cc(F)cc(F)c2O)CCCC1 ZINC001333714755 958536779 /nfs/dbraw/zinc/53/67/79/958536779.db2.gz OLFHQPJEYSZPFJ-UHFFFAOYSA-N 1 1 284.306 1.819 20 10 CDCDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(N)cc1 ZINC001334773922 959347094 /nfs/dbraw/zinc/34/70/94/959347094.db2.gz BAFAFKPRHCYIDQ-QWRGUYRKSA-N 1 1 270.398 1.522 20 10 CDCDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(N)cc1 ZINC001334773922 959347103 /nfs/dbraw/zinc/34/71/03/959347103.db2.gz BAFAFKPRHCYIDQ-QWRGUYRKSA-N 1 1 270.398 1.522 20 10 CDCDMO COc1ccc(CNCCC[NH+]2CCCC2)c(O)c1OC ZINC001335484648 959835456 /nfs/dbraw/zinc/83/54/56/959835456.db2.gz ZJMNSFGVPUTGIN-UHFFFAOYSA-N 1 1 294.395 1.985 20 10 CDCDMO Nc1ccc(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 ZINC001345159827 964611452 /nfs/dbraw/zinc/61/14/52/964611452.db2.gz NPMDRTNNVIAICI-YPMHNXCESA-N 1 1 261.325 1.199 20 10 CDCDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)C[N@H+]1C1CC1 ZINC000178866777 342532715 /nfs/dbraw/zinc/53/27/15/342532715.db2.gz FWRLNXAGBWFDNW-BXUZGUMPSA-N 1 1 273.380 1.553 20 10 CDCDMO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cccc(C)c1O ZINC000180255135 357254618 /nfs/dbraw/zinc/25/46/18/357254618.db2.gz MGGQEMLEGXGOGV-LBPRGKRZSA-N 1 1 285.409 1.956 20 10 CDCDMO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cccc(C)c1O ZINC000180255135 357254625 /nfs/dbraw/zinc/25/46/25/357254625.db2.gz MGGQEMLEGXGOGV-LBPRGKRZSA-N 1 1 285.409 1.956 20 10 CDCDMO Cc1cccc(C[NH+]2CCN(C3CCOCC3)CC2)c1O ZINC000180381179 357267655 /nfs/dbraw/zinc/26/76/55/357267655.db2.gz RWPBIKVLTBDGPB-UHFFFAOYSA-N 1 1 290.407 1.997 20 10 CDCDMO COC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@@H](C)O1 ZINC000188380558 357888235 /nfs/dbraw/zinc/88/82/35/357888235.db2.gz LEDIYIZOYMLEKS-OCCSQVGLSA-N 1 1 265.353 1.936 20 10 CDCDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1O ZINC000271238508 364977517 /nfs/dbraw/zinc/97/75/17/364977517.db2.gz BQEXJORRLDADAF-SKDRFNHKSA-N 1 1 265.309 1.324 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C(C)C)c1 ZINC000273616618 365513803 /nfs/dbraw/zinc/51/38/03/365513803.db2.gz XLUWQFLQSPHOKM-IINYFYTJSA-N 1 1 281.352 1.846 20 10 CDCDMO Cc1nc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)n[nH]1 ZINC000273405938 371162123 /nfs/dbraw/zinc/16/21/23/371162123.db2.gz HBKUAICEMAPITH-QMMMGPOBSA-N 1 1 264.304 1.851 20 10 CDCDMO Cc1nnc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)[nH]1 ZINC000273405938 371162127 /nfs/dbraw/zinc/16/21/27/371162127.db2.gz HBKUAICEMAPITH-QMMMGPOBSA-N 1 1 264.304 1.851 20 10 CDCDMO CCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC)c1O ZINC000093050061 390899451 /nfs/dbraw/zinc/89/94/51/390899451.db2.gz YTBONGYJKYWNPV-GFCCVEGCSA-N 1 1 278.352 1.501 20 10 CDCDMO CCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC)c1O ZINC000093050061 390899453 /nfs/dbraw/zinc/89/94/53/390899453.db2.gz YTBONGYJKYWNPV-GFCCVEGCSA-N 1 1 278.352 1.501 20 10 CDCDMO CCS(=O)(=O)NCCC[N@@H+](C)Cc1ccccc1O ZINC000151679745 390966071 /nfs/dbraw/zinc/96/60/71/390966071.db2.gz IETSSKRCXVEOLD-UHFFFAOYSA-N 1 1 286.397 1.153 20 10 CDCDMO Oc1ccccc1C[NH+]1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000361053448 391678815 /nfs/dbraw/zinc/67/88/15/391678815.db2.gz RKPNMZZNCDQSKM-GDBMZVCRSA-N 1 1 276.380 1.423 20 10 CDCDMO Cc1ccc([C@H](C)[NH2+]CCCN2CCN(C)CC2)c(O)c1 ZINC000020128530 171015724 /nfs/dbraw/zinc/01/57/24/171015724.db2.gz QXBLIOXHCWUGRD-HNNXBMFYSA-N 1 1 291.439 1.989 20 10 CDCDMO COc1ccc(N2CC[NH+](CC(OC)OC)CC2)cc1F ZINC000161504340 261249334 /nfs/dbraw/zinc/24/93/34/261249334.db2.gz OGDJNDOVWNXPCB-UHFFFAOYSA-N 1 1 298.358 1.575 20 10 CDCDMO CN1CCCc2cc(CNC(=O)[C@H]3CSC[NH2+]3)ccc21 ZINC000166474612 261390679 /nfs/dbraw/zinc/39/06/79/261390679.db2.gz SIJIHDAEPVDRBG-CYBMUJFWSA-N 1 1 291.420 1.348 20 10 CDCDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2CO)cn1 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C[C@H]([NH2+]Cc1cc(F)ccc1O)c1nnc2n1CCC2 ZINC000230935627 333322761 /nfs/dbraw/zinc/32/27/61/333322761.db2.gz AUTKSXBFKQDBAZ-VIFPVBQESA-N 1 1 276.315 1.920 20 10 CDCDMO CC(C)(C)[N@@H+](Cc1cc(F)c(F)cc1O)C[C@@H](O)CO ZINC001142509177 1160688738 /nfs/dbraw/zinc/68/87/38/1160688738.db2.gz ZPPIYXMFCYULFD-SNVBAGLBSA-N 1 1 289.322 1.624 20 10 CDCDMO CC(C)(C)[N@H+](Cc1cc(F)c(F)cc1O)C[C@@H](O)CO ZINC001142509177 1160688743 /nfs/dbraw/zinc/68/87/43/1160688743.db2.gz ZPPIYXMFCYULFD-SNVBAGLBSA-N 1 1 289.322 1.624 20 10 CDCDMO CC(=O)c1cc(F)cc(C[N@H+](CCO)C(C)C)c1O ZINC000050158090 518285208 /nfs/dbraw/zinc/28/52/08/518285208.db2.gz PPZUCAOXOQYITK-UHFFFAOYSA-N 1 1 269.316 1.937 20 10 CDCDMO CCOc1cccc(C[NH2+][C@H](C)c2ncnn2C)c1O ZINC000276749423 521375896 /nfs/dbraw/zinc/37/58/96/521375896.db2.gz STGLKFFLEVNGGP-SNVBAGLBSA-N 1 1 276.340 1.770 20 10 CDCDMO COc1c(O)c(C[NH2+][C@H]2C[C@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000278388521 521881020 /nfs/dbraw/zinc/88/10/20/521881020.db2.gz 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CDCDMO C[C@@H]1CSCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444698 576283087 /nfs/dbraw/zinc/28/30/87/576283087.db2.gz BHJZTESRXPMGTH-RNCFNFMXSA-N 1 1 281.377 1.755 20 10 CDCDMO C[C@@H]1[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCOC1(C)C ZINC000768461577 576286635 /nfs/dbraw/zinc/28/66/35/576286635.db2.gz DLQWQKNNZGTNQH-HZMBPMFUSA-N 1 1 293.363 1.817 20 10 CDCDMO C[N@@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccccc1O ZINC000760855695 576516518 /nfs/dbraw/zinc/51/65/18/576516518.db2.gz HSBYVXBPHCMCCI-LBPRGKRZSA-N 1 1 283.393 1.649 20 10 CDCDMO C[C@@H]1C[C@H](NC[C@@H](O)C[NH+](C)C)c2c1c(F)ccc2O ZINC000756552220 576995184 /nfs/dbraw/zinc/99/51/84/576995184.db2.gz DCVTZKMJSRBXHG-FOGDFJRCSA-N 1 1 282.359 1.592 20 10 CDCDMO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cc(F)ccc1O ZINC000756734665 577002282 /nfs/dbraw/zinc/00/22/82/577002282.db2.gz YBQRTILAIYSHKR-MRVPVSSYSA-N 1 1 277.303 1.704 20 10 CDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)c1 ZINC000756739589 577002497 /nfs/dbraw/zinc/00/24/97/577002497.db2.gz 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CC[N@H+]1CCCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000832659206 782818368 /nfs/dbraw/zinc/81/83/68/782818368.db2.gz SUYTUXLASWWKBN-OAHLLOKOSA-N 1 1 275.396 1.802 20 10 CDCDMO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(F)cc1O ZINC000834907848 782864485 /nfs/dbraw/zinc/86/44/85/782864485.db2.gz DOASTSVPMCLJAN-LKFCYVNXSA-N 1 1 266.316 1.851 20 10 CDCDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)O ZINC000824921538 782936278 /nfs/dbraw/zinc/93/62/78/782936278.db2.gz MTDCTGUUQWBZEK-WPRPVWTQSA-N 1 1 284.312 1.558 20 10 CDCDMO COc1c([O-])c(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000843056020 783040073 /nfs/dbraw/zinc/04/00/73/783040073.db2.gz CHDUMYBSIPOSIZ-UHFFFAOYSA-N 1 1 297.355 1.726 20 10 CDCDMO Cc1cccc(O)c1C[NH+]1CCN(C[C@@H]2CCOC2)CC1 ZINC000876784420 1165914980 /nfs/dbraw/zinc/91/49/80/1165914980.db2.gz FDBLMDIIDMDNCO-HNNXBMFYSA-N 1 1 290.407 1.855 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](O)CC2)cc1OC ZINC000816667389 783086102 /nfs/dbraw/zinc/08/61/02/783086102.db2.gz LZHMVYDAIPVIEV-GFCCVEGCSA-N 1 1 281.352 1.756 20 10 CDCDMO Cc1ccc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c(O)c1 ZINC000877471856 1166045302 /nfs/dbraw/zinc/04/53/02/1166045302.db2.gz CFIAIDZFPAHLBA-CQSZACIVSA-N 1 1 274.364 1.897 20 10 CDCDMO Cc1cc(N(C)C)ccc1CN1CC[N@@H+](C)C[C@@H]1CO ZINC000877645006 1166072597 /nfs/dbraw/zinc/07/25/97/1166072597.db2.gz XWTCEPIDJBJDIX-MRXNPFEDSA-N 1 1 277.412 1.169 20 10 CDCDMO COc1c(O)c(C[NH2+]C2([C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000827586445 780207626 /nfs/dbraw/zinc/20/76/26/780207626.db2.gz XZCJQMPDHFPCIU-MRVPVSSYSA-N 1 1 282.296 1.312 20 10 CDCDMO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886516677 780219924 /nfs/dbraw/zinc/21/99/24/780219924.db2.gz TVPVXKGMVOTBCL-UWVGGRQHSA-N 1 1 264.304 1.862 20 10 CDCDMO COCC[NH+]1CCN(Cc2ccc(C)cc2O)CC1 ZINC000876556498 780287979 /nfs/dbraw/zinc/28/79/79/780287979.db2.gz NBPAPWWMDGHUCI-UHFFFAOYSA-N 1 1 264.369 1.465 20 10 CDCDMO COc1ccc(O)c(C[N@@H+]2CCC(=O)N(C)CC2)c1 ZINC000827358475 780301248 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20 10 CDCDMO CCOc1ccc(CNC[C@H]2C[NH2+]CCCO2)c(O)c1 ZINC000841085499 786039994 /nfs/dbraw/zinc/03/99/94/786039994.db2.gz FCCFKLAKWGRGSU-CQSZACIVSA-N 1 1 280.368 1.259 20 10 CDCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](CC(N)=O)C2)cc1F ZINC000862368527 786183473 /nfs/dbraw/zinc/18/34/73/786183473.db2.gz IYAJRJVWCTVNMJ-SNVBAGLBSA-N 1 1 297.349 1.728 20 10 CDCDMO C[C@@H]([NH2+]Cc1ccccc1O)c1nnnn1C1CC1 ZINC000191832020 786195049 /nfs/dbraw/zinc/19/50/49/786195049.db2.gz PLNWFSXGOQKIQK-SECBINFHSA-N 1 1 259.313 1.564 20 10 CDCDMO CCOc1cccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)c1O ZINC000249367994 786202952 /nfs/dbraw/zinc/20/29/52/786202952.db2.gz OPWKFOGHZPMMTG-WCQYABFASA-N 1 1 281.352 1.373 20 10 CDCDMO CCOc1cccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)c1O ZINC000249367994 786202966 /nfs/dbraw/zinc/20/29/66/786202966.db2.gz OPWKFOGHZPMMTG-WCQYABFASA-N 1 1 281.352 1.373 20 10 CDCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)C1(CO)CCC1 ZINC000827903202 786764369 /nfs/dbraw/zinc/76/43/69/786764369.db2.gz FRYBWIGQRXBDNI-UHFFFAOYSA-N 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CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](CF)C2)cc1 ZINC000880295645 788592852 /nfs/dbraw/zinc/59/28/52/788592852.db2.gz WHNRSEKFFXCUFT-CQSZACIVSA-N 1 1 293.386 1.660 20 10 CDCDMO CCc1cccc(C[N@@H+](CCO)C2CCN(C)CC2)c1O ZINC000848876370 788744103 /nfs/dbraw/zinc/74/41/03/788744103.db2.gz HSTGVFZBBNAFLQ-UHFFFAOYSA-N 1 1 292.423 1.843 20 10 CDCDMO C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CC[N@H+]1C ZINC000126500278 788844119 /nfs/dbraw/zinc/84/41/19/788844119.db2.gz VQRZPFVJIZNQPR-UWVGGRQHSA-N 1 1 264.325 1.310 20 10 CDCDMO CC(C)C(=O)NCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883076355 788893029 /nfs/dbraw/zinc/89/30/29/788893029.db2.gz AGRMQPKEQUXWAC-UHFFFAOYSA-N 1 1 286.322 1.922 20 10 CDCDMO COc1c(O)c(C[NH2+][C@@H](CO)CC2CC2)ccc1[N+](=O)[O-] ZINC000775035187 789254567 /nfs/dbraw/zinc/25/45/67/789254567.db2.gz WOEQYJCDNFRXOC-LLVKDONJSA-N 1 1 296.323 1.560 20 10 CDCDMO CC[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(F)cc1O ZINC000796695555 789372132 /nfs/dbraw/zinc/37/21/32/789372132.db2.gz QDWMOGLHBMWWDF-AAEUAGOBSA-N 1 1 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/nfs/dbraw/zinc/05/93/29/959059329.db2.gz BBBZJUAABIIWFN-UHFFFAOYSA-N 1 1 283.368 1.540 20 10 CDCDMO Nc1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC001336287260 960287458 /nfs/dbraw/zinc/28/74/58/960287458.db2.gz ZSKCFVWHUDYDAF-UHFFFAOYSA-N 1 1 276.380 1.898 20 10 CDCDMO CO[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1O ZINC001324378587 961340801 /nfs/dbraw/zinc/34/08/01/961340801.db2.gz MBDFUEXTTJEHEF-HZPDHXFCSA-N 1 1 276.380 1.478 20 10 CDCDMO O=C(NCc1cccc(O)c1O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001352672719 967415759 /nfs/dbraw/zinc/41/57/59/967415759.db2.gz XDOYXXDYVYNWMM-ZDUSSCGKSA-N 1 1 290.363 1.731 20 10 CDCDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001353562128 968068410 /nfs/dbraw/zinc/06/84/10/968068410.db2.gz SYWNLJQGGWTCLR-SJORKVTESA-N 1 1 290.407 1.604 20 10 CDCDMO Nc1ccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC001356083422 969328551 /nfs/dbraw/zinc/32/85/51/969328551.db2.gz PHUREICCQDYEPS-MRXNPFEDSA-N 1 1 275.396 1.565 20 10 CDCDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC001575140558 1171124141 /nfs/dbraw/zinc/12/41/41/1171124141.db2.gz SOLNDNGZDBTDPE-CYBMUJFWSA-N 1 1 261.369 1.758 20 10 CDCDMO CC(C)[N@@H+](CCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000078720058 342339926 /nfs/dbraw/zinc/33/99/26/342339926.db2.gz ILHOHMLNHHYJAX-UHFFFAOYSA-N 1 1 293.411 1.072 20 10 CDCDMO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179885898 357228501 /nfs/dbraw/zinc/22/85/01/357228501.db2.gz JTFQFIPPGFGEDW-NSHDSACASA-N 1 1 252.289 1.371 20 10 CDCDMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000179885898 357228503 /nfs/dbraw/zinc/22/85/03/357228503.db2.gz JTFQFIPPGFGEDW-NSHDSACASA-N 1 1 252.289 1.371 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CC[C@@](C)(O)C2)cc1OC ZINC000180634238 357279264 /nfs/dbraw/zinc/27/92/64/357279264.db2.gz OKRCYRHCTOHPMZ-CQSZACIVSA-N 1 1 267.325 1.366 20 10 CDCDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(O)c1O ZINC000185725237 357570649 /nfs/dbraw/zinc/57/06/49/357570649.db2.gz GRWVFUZJAZXPKX-JQWIXIFHSA-N 1 1 278.352 1.510 20 10 CDCDMO C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)C[N@H+]1C1CC1 ZINC000185819864 357581519 /nfs/dbraw/zinc/58/15/19/357581519.db2.gz AWOWDZAFPOIYCB-ZJUUUORDSA-N 1 1 276.336 1.453 20 10 CDCDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187533379 357776547 /nfs/dbraw/zinc/77/65/47/357776547.db2.gz RBONIYXFROAFEE-AWEZNQCLSA-N 1 1 267.300 1.523 20 10 CDCDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187533379 357776549 /nfs/dbraw/zinc/77/65/49/357776549.db2.gz RBONIYXFROAFEE-AWEZNQCLSA-N 1 1 267.300 1.523 20 10 CDCDMO C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000154624187 363590524 /nfs/dbraw/zinc/59/05/24/363590524.db2.gz SMOFYFXZTAFJSX-CYBMUJFWSA-N 1 1 275.396 1.853 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000293980219 358541568 /nfs/dbraw/zinc/54/15/68/358541568.db2.gz RGDKJTDCMFIMTB-CYBMUJFWSA-N 1 1 297.420 1.957 20 10 CDCDMO COc1c(O)c(C[NH2+]CCC(C)(C)CO)ccc1[N+](=O)[O-] ZINC000294925718 199253881 /nfs/dbraw/zinc/25/38/81/199253881.db2.gz ZBQHMUTUVZXXQO-UHFFFAOYSA-N 1 1 298.339 1.807 20 10 CDCDMO NC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000092754112 360284197 /nfs/dbraw/zinc/28/41/97/360284197.db2.gz DYDJABWXTSLMQE-UHFFFAOYSA-N 1 1 283.759 1.632 20 10 CDCDMO C[C@H](NC(=O)Cc1ccc(N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000167685865 364944256 /nfs/dbraw/zinc/94/42/56/364944256.db2.gz COKJNBDZOAWSER-STQMWFEESA-N 1 1 291.395 1.037 20 10 CDCDMO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000171937068 365433381 /nfs/dbraw/zinc/43/33/81/365433381.db2.gz TVKRLTJQHSEFIG-NSHDSACASA-N 1 1 250.342 1.739 20 10 CDCDMO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(F)cc1O ZINC000273345759 365487668 /nfs/dbraw/zinc/48/76/68/365487668.db2.gz APUUPIOWNXCXLG-MEBBXXQBSA-N 1 1 283.343 1.969 20 10 CDCDMO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(F)cc1O ZINC000273572766 365508603 /nfs/dbraw/zinc/50/86/03/365508603.db2.gz LCNSBQIEQMDDIA-XPTSAGLGSA-N 1 1 279.315 1.649 20 10 CDCDMO CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCNC1=O ZINC000281733287 367679301 /nfs/dbraw/zinc/67/93/01/367679301.db2.gz JJOSHEJGJUKPHR-LLVKDONJSA-N 1 1 298.770 1.765 20 10 CDCDMO CCOc1ccc(O)c(C[N@@H+](CC)CCOCCO)c1 ZINC000282778310 368034944 /nfs/dbraw/zinc/03/49/44/368034944.db2.gz QBXDLMRILDWSLC-UHFFFAOYSA-N 1 1 283.368 1.622 20 10 CDCDMO CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(F)cc1O ZINC000286154519 368710470 /nfs/dbraw/zinc/71/04/70/368710470.db2.gz OZKNVDJRZDYFLN-OCCSQVGLSA-N 1 1 269.316 1.723 20 10 CDCDMO CC[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(F)cc1O ZINC000286154516 368710568 /nfs/dbraw/zinc/71/05/68/368710568.db2.gz OZKNVDJRZDYFLN-JSGCOSHPSA-N 1 1 269.316 1.723 20 10 CDCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCC(N)=O)c1O ZINC000286278831 377880085 /nfs/dbraw/zinc/88/00/85/377880085.db2.gz CHFAOAYHUHMIAX-UHFFFAOYSA-N 1 1 284.743 1.555 20 10 CDCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCC(N)=O)c1O ZINC000286278831 377880087 /nfs/dbraw/zinc/88/00/87/377880087.db2.gz CHFAOAYHUHMIAX-UHFFFAOYSA-N 1 1 284.743 1.555 20 10 CDCDMO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(F)cc1O ZINC000293761473 378591145 /nfs/dbraw/zinc/59/11/45/378591145.db2.gz RIUDGUYMVYQKMF-JLLWLGSASA-N 1 1 269.316 1.722 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000373737047 391129216 /nfs/dbraw/zinc/12/92/16/391129216.db2.gz FOQAKHQTPPZLJT-BPUTZDHNSA-N 1 1 287.407 1.838 20 10 CDCDMO Cc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c(O)c1O ZINC000179531182 391209063 /nfs/dbraw/zinc/20/90/63/391209063.db2.gz HRCQJTGAVACQKE-NWDGAFQWSA-N 1 1 290.363 1.715 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](O)C2)cc1OC ZINC000183469399 391265716 /nfs/dbraw/zinc/26/57/16/391265716.db2.gz PTGGTPSRYRHFEK-NSHDSACASA-N 1 1 267.325 1.366 20 10 CDCDMO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(F)cc1O ZINC000186511037 262096641 /nfs/dbraw/zinc/09/66/41/262096641.db2.gz AUSSMUQVGKFYFQ-SECBINFHSA-N 1 1 292.314 1.335 20 10 CDCDMO Cc1cccc(C[N@H+]2CC[C@H](n3cncn3)C2)c1O ZINC000364514586 262253469 /nfs/dbraw/zinc/25/34/69/262253469.db2.gz YDXKWVHEUBJEMT-ZDUSSCGKSA-N 1 1 258.325 1.739 20 10 CDCDMO COc1cccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1O ZINC000369828613 267271348 /nfs/dbraw/zinc/27/13/48/267271348.db2.gz BJLOHLULQUXQKI-GFCCVEGCSA-N 1 1 273.336 1.771 20 10 CDCDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccccc1O ZINC000289188863 274387592 /nfs/dbraw/zinc/38/75/92/274387592.db2.gz ASOJEGYAZSTOGB-UKRRQHHQSA-N 1 1 276.380 1.687 20 10 CDCDMO CCOc1cccc(C[N@@H+](C)[C@H](CC)CO)c1O ZINC000295148174 276379465 /nfs/dbraw/zinc/37/94/65/276379465.db2.gz QTHOVJUIJZNAKD-GFCCVEGCSA-N 1 1 253.342 1.994 20 10 CDCDMO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000271866234 328198672 /nfs/dbraw/zinc/19/86/72/328198672.db2.gz RERMYLBQHWGOSI-CQSZACIVSA-N 1 1 283.299 1.488 20 10 CDCDMO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000271866234 328198673 /nfs/dbraw/zinc/19/86/73/328198673.db2.gz RERMYLBQHWGOSI-CQSZACIVSA-N 1 1 283.299 1.488 20 10 CDCDMO CC(C)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000049398305 519610438 /nfs/dbraw/zinc/61/04/38/519610438.db2.gz XAIDIKCDDIMJHA-UHFFFAOYSA-N 1 1 263.385 1.709 20 10 CDCDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1cc2c(cc1O)OCO2 ZINC000289972059 519628040 /nfs/dbraw/zinc/62/80/40/519628040.db2.gz YYTUAZQITGHMGV-LLVKDONJSA-N 1 1 280.368 1.939 20 10 CDCDMO CC(C)[N@H+](C)C[C@@H](C)NCc1cc2c(cc1O)OCO2 ZINC000289972059 519628042 /nfs/dbraw/zinc/62/80/42/519628042.db2.gz YYTUAZQITGHMGV-LLVKDONJSA-N 1 1 280.368 1.939 20 10 CDCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@@H](C)C(=O)NC)c1 ZINC000093899573 521139899 /nfs/dbraw/zinc/13/98/99/521139899.db2.gz KKMRJIFNSWQIMJ-LLVKDONJSA-N 1 1 280.368 1.605 20 10 CDCDMO CCOc1cccc(C[NH2+][C@@H](C)c2ncnn2C)c1O ZINC000276749422 521370655 /nfs/dbraw/zinc/37/06/55/521370655.db2.gz STGLKFFLEVNGGP-JTQLQIEISA-N 1 1 276.340 1.770 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1F ZINC000280122711 522185839 /nfs/dbraw/zinc/18/58/39/522185839.db2.gz BTSXLPMHMPSCHF-HNNXBMFYSA-N 1 1 279.359 1.589 20 10 CDCDMO C[N@@H+](CCCCCO)Cc1cc2c(cc1O)OCO2 ZINC000279481951 522732481 /nfs/dbraw/zinc/73/24/81/522732481.db2.gz UBFUKNPGIVSAKU-UHFFFAOYSA-N 1 1 267.325 1.715 20 10 CDCDMO Cc1cc(C[N@@H+](C)CCN2CCOCC2)ccc1N(C)C ZINC000293221234 524663451 /nfs/dbraw/zinc/66/34/51/524663451.db2.gz VOGYODPSRMWCHX-UHFFFAOYSA-N 1 1 291.439 1.825 20 10 CDCDMO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)c1 ZINC000277306802 524745548 /nfs/dbraw/zinc/74/55/48/524745548.db2.gz BDFDKWJKKONMLI-JEOXALJRSA-N 1 1 283.393 1.744 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C)[S@](=O)CC2)c1 ZINC000277306802 524745555 /nfs/dbraw/zinc/74/55/55/524745555.db2.gz BDFDKWJKKONMLI-JEOXALJRSA-N 1 1 283.393 1.744 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000292701085 524745572 /nfs/dbraw/zinc/74/55/72/524745572.db2.gz CHWIMPOIRNRVCS-LLVKDONJSA-N 1 1 299.392 1.267 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280294788 524747446 /nfs/dbraw/zinc/74/74/46/524747446.db2.gz OLOZOUYXZVGMMY-WBMJQRKESA-N 1 1 293.363 1.781 20 10 CDCDMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CC[N@H+]1C ZINC000237565012 525243742 /nfs/dbraw/zinc/24/37/42/525243742.db2.gz LKHKLZSRCSCJRB-DOMZBBRYSA-N 1 1 275.396 1.752 20 10 CDCDMO CCC[N@@H+](C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000730285567 574909987 /nfs/dbraw/zinc/90/99/87/574909987.db2.gz XTENLWWQYDAFPV-LLVKDONJSA-N 1 1 280.368 1.920 20 10 CDCDMO CCN(C)c1ccc(C[N@H+](CCOC)[C@@H](C)C(N)=O)cc1 ZINC000773756454 575837799 /nfs/dbraw/zinc/83/77/99/575837799.db2.gz LNSGMYICKKYMMU-ZDUSSCGKSA-N 1 1 293.411 1.465 20 10 CDCDMO CCN(C)c1ccc(C[N@@H+](CCOC)[C@@H](C)C(N)=O)cc1 ZINC000773756454 575837800 /nfs/dbraw/zinc/83/78/00/575837800.db2.gz LNSGMYICKKYMMU-ZDUSSCGKSA-N 1 1 293.411 1.465 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC(C)(C)O1 ZINC000768441530 576283609 /nfs/dbraw/zinc/28/36/09/576283609.db2.gz DBSYLOXVBRPXTE-YGRLFVJLSA-N 1 1 293.363 1.817 20 10 CDCDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C)O1 ZINC000768447274 576284014 /nfs/dbraw/zinc/28/40/14/576284014.db2.gz NXTBZXSBJWEKSM-NVBFEUDRSA-N 1 1 293.363 1.817 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1 ZINC000768448884 576284891 /nfs/dbraw/zinc/28/48/91/576284891.db2.gz YBCNJPLIOFDOBU-YGRLFVJLSA-N 1 1 279.336 1.429 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C)(C)CO)c1 ZINC000756756722 577002762 /nfs/dbraw/zinc/00/27/62/577002762.db2.gz AFUQLVGXMMASEQ-JTQLQIEISA-N 1 1 281.352 1.848 20 10 CDCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2(CO)COC2)cc1 ZINC000756785108 577004255 /nfs/dbraw/zinc/00/42/55/577004255.db2.gz ZEXJXZZRTYXEPS-UHFFFAOYSA-N 1 1 292.423 1.974 20 10 CDCDMO COc1ccc(C[N@H+]2CC[C@@](C)(O)C2)c(O)c1OC ZINC000892186547 617537635 /nfs/dbraw/zinc/53/76/35/617537635.db2.gz XYDKZEXTDDGICP-CQSZACIVSA-N 1 1 267.325 1.366 20 10 CDCDMO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)ccc1N(C)C ZINC000934562642 617646516 /nfs/dbraw/zinc/64/65/16/617646516.db2.gz AOTNMNSRHJIBGG-DZGCQCFKSA-N 1 1 266.360 1.966 20 10 CDCDMO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)ccc1N(C)C ZINC000934562642 617646519 /nfs/dbraw/zinc/64/65/19/617646519.db2.gz AOTNMNSRHJIBGG-DZGCQCFKSA-N 1 1 266.360 1.966 20 10 CDCDMO C[NH2+]CCCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841043673 618677727 /nfs/dbraw/zinc/67/77/27/618677727.db2.gz ZUTYTENSIPIDAK-UHFFFAOYSA-N 1 1 281.375 1.361 20 10 CDCDMO CCC[C@@H]1CNCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000843057294 618691401 /nfs/dbraw/zinc/69/14/01/618691401.db2.gz ACIUHPMKPKIARX-CYBMUJFWSA-N 1 1 264.369 1.975 20 10 CDCDMO CCC[C@@H]1CNCC[N@H+]1Cc1cc(OC)ccc1O ZINC000843057294 618691403 /nfs/dbraw/zinc/69/14/03/618691403.db2.gz ACIUHPMKPKIARX-CYBMUJFWSA-N 1 1 264.369 1.975 20 10 CDCDMO COc1ccc(C[NH2+]Cc2nonc2C)c(O)c1OC ZINC000894465686 618902387 /nfs/dbraw/zinc/90/23/87/618902387.db2.gz ZZTQTMVKVCUDKC-UHFFFAOYSA-N 1 1 279.296 1.391 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CC[C@@](F)(CO)C2)c1O ZINC000894686912 619017423 /nfs/dbraw/zinc/01/74/23/619017423.db2.gz YEAUCPYSBBIKRM-AWEZNQCLSA-N 1 1 269.316 1.616 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1O ZINC000895123059 619318181 /nfs/dbraw/zinc/31/81/81/619318181.db2.gz WHELVTCRTOVQCE-SDDRHHMPSA-N 1 1 292.379 1.807 20 10 CDCDMO COc1cc(C)cc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1O ZINC000895123059 619318182 /nfs/dbraw/zinc/31/81/82/619318182.db2.gz WHELVTCRTOVQCE-SDDRHHMPSA-N 1 1 292.379 1.807 20 10 CDCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896378325 620069188 /nfs/dbraw/zinc/06/91/88/620069188.db2.gz QQFDRKHLAINJJL-SECBINFHSA-N 1 1 285.290 1.865 20 10 CDCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896378325 620069190 /nfs/dbraw/zinc/06/91/90/620069190.db2.gz QQFDRKHLAINJJL-SECBINFHSA-N 1 1 285.290 1.865 20 10 CDCDMO C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@H]1O ZINC000897684353 621072034 /nfs/dbraw/zinc/07/20/34/621072034.db2.gz NERHQUKFCTYCMM-LDYMZIIASA-N 1 1 286.169 1.967 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@H]1O ZINC000897684353 621072036 /nfs/dbraw/zinc/07/20/36/621072036.db2.gz NERHQUKFCTYCMM-LDYMZIIASA-N 1 1 286.169 1.967 20 10 CDCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)cc1C ZINC000902626240 625052341 /nfs/dbraw/zinc/05/23/41/625052341.db2.gz SHRMTNBIIRZNNW-GOEBONIOSA-N 1 1 277.364 1.999 20 10 CDCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000157059197 630582254 /nfs/dbraw/zinc/58/22/54/630582254.db2.gz QDBOHDACQMQRDL-CYBMUJFWSA-N 1 1 283.393 1.791 20 10 CDCDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nncn1C ZINC000921685958 633174268 /nfs/dbraw/zinc/17/42/68/633174268.db2.gz ZOLZSHNILINUJC-NSHDSACASA-N 1 1 272.352 1.991 20 10 CDCDMO CN1CC[C@@]2(CCC[N@H+]2Cc2cc(O)ccc2O)C1=O ZINC001272386875 1161083699 /nfs/dbraw/zinc/08/36/99/1161083699.db2.gz PELMNUGXLCZGIB-HNNXBMFYSA-N 1 1 276.336 1.295 20 10 CDCDMO Cc1cccc(C[N@@H+](C)C[C@H]2COCCO2)c1O ZINC000827140597 790355604 /nfs/dbraw/zinc/35/56/04/790355604.db2.gz LYODELCCRDBGAL-ZDUSSCGKSA-N 1 1 251.326 1.548 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000775984958 790656650 /nfs/dbraw/zinc/65/66/50/790656650.db2.gz IRJOZIJPJKFARO-NEPJUHHUSA-N 1 1 264.369 1.925 20 10 CDCDMO COc1ccc(O)c(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000775984958 790656666 /nfs/dbraw/zinc/65/66/66/790656666.db2.gz IRJOZIJPJKFARO-NEPJUHHUSA-N 1 1 264.369 1.925 20 10 CDCDMO COc1ccc(O)c(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000775984958 790656689 /nfs/dbraw/zinc/65/66/89/790656689.db2.gz IRJOZIJPJKFARO-NEPJUHHUSA-N 1 1 264.369 1.925 20 10 CDCDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883111951 790840524 /nfs/dbraw/zinc/84/05/24/790840524.db2.gz UTEOEVOQPWCEBB-HQJQHLMTSA-N 1 1 270.279 1.285 20 10 CDCDMO CC(C)NC(=O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858088531 790863950 /nfs/dbraw/zinc/86/39/50/790863950.db2.gz IIRPXZPWTQZVQL-UHFFFAOYSA-N 1 1 285.338 1.645 20 10 CDCDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C(C)(C)C1 ZINC000779542071 790883597 /nfs/dbraw/zinc/88/35/97/790883597.db2.gz JDRXFVZUCRQNGT-FNORWQNLSA-N 1 1 290.363 1.664 20 10 CDCDMO COC[C@@H]1CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000816636920 790889797 /nfs/dbraw/zinc/88/97/97/790889797.db2.gz LXBXFNPETDXPCW-KRWDZBQOSA-N 1 1 289.423 1.659 20 10 CDCDMO COC[C@@H]1CC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000816636920 790889800 /nfs/dbraw/zinc/88/98/00/790889800.db2.gz LXBXFNPETDXPCW-KRWDZBQOSA-N 1 1 289.423 1.659 20 10 CDCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000300436969 789852110 /nfs/dbraw/zinc/85/21/10/789852110.db2.gz QYIRWYJQIRVONL-LBPRGKRZSA-N 1 1 252.289 1.242 20 10 CDCDMO CCc1cccc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1O ZINC000848914707 789906873 /nfs/dbraw/zinc/90/68/73/789906873.db2.gz MPGKPCHOYRUMCI-KBPBESRZSA-N 1 1 290.363 1.044 20 10 CDCDMO [NH3+]C[C@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000843065673 789935788 /nfs/dbraw/zinc/93/57/88/789935788.db2.gz OKNZWNYOMCRPRM-JTQLQIEISA-N 1 1 256.733 1.205 20 10 CDCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CO)C2)c1O ZINC000122844256 789944006 /nfs/dbraw/zinc/94/40/06/789944006.db2.gz YAJWQQHLLKIKMC-SNVBAGLBSA-N 1 1 267.300 1.548 20 10 CDCDMO CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000179691316 790042760 /nfs/dbraw/zinc/04/27/60/790042760.db2.gz DFXWYZOQVBVOLK-AWEZNQCLSA-N 1 1 262.353 1.801 20 10 CDCDMO CCOc1ccc(O)c(CN2CC[C@@H](C[NH2+]C)C2)c1 ZINC000843052975 790054936 /nfs/dbraw/zinc/05/49/36/790054936.db2.gz RJUHIHVXTWAZJB-LBPRGKRZSA-N 1 1 264.369 1.832 20 10 CDCDMO Cc1ccc(C[NH2+]CCCN2CCN(C)CC2)c(O)c1 ZINC000877143269 790074421 /nfs/dbraw/zinc/07/44/21/790074421.db2.gz JWJASDWTMPVXRN-UHFFFAOYSA-N 1 1 277.412 1.428 20 10 CDCDMO CO[C@](C)(CO)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886633191 790193071 /nfs/dbraw/zinc/19/30/71/790193071.db2.gz OVLKTGCRTMEPCV-ZANVPECISA-N 1 1 257.305 1.579 20 10 CDCDMO C[C@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)CC[NH2+]1 ZINC000841062207 790248245 /nfs/dbraw/zinc/24/82/45/790248245.db2.gz SXWLWQGFWZOVHJ-ONGXEEELSA-N 1 1 264.325 1.351 20 10 CDCDMO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000824547943 791347673 /nfs/dbraw/zinc/34/76/73/791347673.db2.gz FHAGSOIQAJYLQM-SNVBAGLBSA-N 1 1 272.142 1.721 20 10 CDCDMO Oc1cc2c(cc1CN(C1CC1)C1CC[NH2+]CC1)OCO2 ZINC000843044083 791386316 /nfs/dbraw/zinc/38/63/16/791386316.db2.gz SFVGEZVBEYJLTP-UHFFFAOYSA-N 1 1 290.363 1.837 20 10 CDCDMO CC[N@@H+]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1C ZINC000126413495 791523382 /nfs/dbraw/zinc/52/33/82/791523382.db2.gz UZQBPEFGUZVALR-SNVBAGLBSA-N 1 1 264.325 1.264 20 10 CDCDMO CC[N@H+]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1C ZINC000126413495 791523391 /nfs/dbraw/zinc/52/33/91/791523391.db2.gz UZQBPEFGUZVALR-SNVBAGLBSA-N 1 1 264.325 1.264 20 10 CDCDMO CCOc1cccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)c1O ZINC000094338958 791863747 /nfs/dbraw/zinc/86/37/47/791863747.db2.gz JIUNNCYRRLJJGT-DGCLKSJQSA-N 1 1 264.369 1.960 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000840921875 791888829 /nfs/dbraw/zinc/88/88/29/791888829.db2.gz HFUIFISPUOJARW-HNNXBMFYSA-N 1 1 288.395 1.270 20 10 CDCDMO CO[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)C[C@H]1O ZINC000840950086 791938761 /nfs/dbraw/zinc/93/87/61/791938761.db2.gz FDXKRJOZMLJKRS-HUUCEWRRSA-N 1 1 264.369 1.253 20 10 CDCDMO CN1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1=O ZINC000816555688 792121789 /nfs/dbraw/zinc/12/17/89/792121789.db2.gz NFBIQLFUCSVAJV-NSHDSACASA-N 1 1 286.734 1.895 20 10 CDCDMO COc1cc(O)c(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000843052042 792128338 /nfs/dbraw/zinc/12/83/38/792128338.db2.gz OYTSXZRJJGUCOF-VXGBXAGGSA-N 1 1 294.395 1.969 20 10 CDCDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000876690820 792192739 /nfs/dbraw/zinc/19/27/39/792192739.db2.gz SCFKCELLQPYNEB-INIZCTEOSA-N 1 1 290.407 1.868 20 10 CDCDMO CC(=O)c1cc(F)cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1[O-] ZINC000883442786 792468941 /nfs/dbraw/zinc/46/89/41/792468941.db2.gz SPOYFGLADNCGIF-OLZOCXBDSA-N 1 1 280.343 1.949 20 10 CDCDMO COc1ccc(C[NH2+]Cc2cn(C(C)C)nn2)c(O)c1 ZINC000809658112 792504309 /nfs/dbraw/zinc/50/43/09/792504309.db2.gz DISKISSWKNOQRS-UHFFFAOYSA-N 1 1 276.340 1.863 20 10 CDCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)[C@@H](C)O ZINC000929753347 792553714 /nfs/dbraw/zinc/55/37/14/792553714.db2.gz NXBPINKQXZBPBB-BXUZGUMPSA-N 1 1 253.342 1.346 20 10 CDCDMO CC[C@@]1(O)CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000779217691 792587834 /nfs/dbraw/zinc/58/78/34/792587834.db2.gz UXUCSYMMQIADPV-CQSZACIVSA-N 1 1 251.326 1.748 20 10 CDCDMO CCOc1ccc(C[N@@H+](C)CCNC(C)=O)c(O)c1 ZINC000843428477 792812052 /nfs/dbraw/zinc/81/20/52/792812052.db2.gz ZDTRIQLZLXCRMT-UHFFFAOYSA-N 1 1 266.341 1.359 20 10 CDCDMO CCCC[N@@H+](C)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779516744 792816039 /nfs/dbraw/zinc/81/60/39/792816039.db2.gz HJGNLMKFJGNYAK-SOFGYWHQSA-N 1 1 292.379 1.959 20 10 CDCDMO CCc1cccc(C[N@@H+](C)CC(C)(CO)CO)c1O ZINC000848885893 792826225 /nfs/dbraw/zinc/82/62/25/792826225.db2.gz CBSPOJCVUAKPMB-UHFFFAOYSA-N 1 1 267.369 1.377 20 10 CDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1 ZINC000250112640 792893788 /nfs/dbraw/zinc/89/37/88/792893788.db2.gz TWCGFIQHSNTDKJ-SMDDNHRTSA-N 1 1 265.353 1.994 20 10 CDCDMO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516498 793037362 /nfs/dbraw/zinc/03/73/62/793037362.db2.gz IWCBXXANJIABRP-QMMMGPOBSA-N 1 1 272.295 1.627 20 10 CDCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000788266764 793093378 /nfs/dbraw/zinc/09/33/78/793093378.db2.gz BJCUXMSMLAKBHU-TZMCWYRMSA-N 1 1 294.370 1.617 20 10 CDCDMO C[C@@H](O)C[N@H+]1CCN(Cc2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000793586082 793135440 /nfs/dbraw/zinc/13/54/40/793135440.db2.gz FRPWFWKHTAXWKD-NWDGAFQWSA-N 1 1 298.814 1.933 20 10 CDCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843433834 793353223 /nfs/dbraw/zinc/35/32/23/793353223.db2.gz DZSRJBXOVYCMKW-KGLIPLIRSA-N 1 1 293.363 1.365 20 10 CDCDMO CCc1cccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c1O ZINC000848888557 793796802 /nfs/dbraw/zinc/79/68/02/793796802.db2.gz WRBPFBMZPCRJCY-ZDUSSCGKSA-N 1 1 276.336 1.591 20 10 CDCDMO COc1ccc(O)c([C@@H](C)NC[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000851900169 793830520 /nfs/dbraw/zinc/83/05/20/793830520.db2.gz QLRWOVWOBIGQRP-CHWSQXEVSA-N 1 1 296.411 1.753 20 10 CDCDMO C[N@@H+](CC(=O)NCc1ccc(O)c(O)c1)[C@@H]1CCSC1 ZINC000778927674 793830566 /nfs/dbraw/zinc/83/05/66/793830566.db2.gz SNUJMOHQWNEVMB-LLVKDONJSA-N 1 1 296.392 1.151 20 10 CDCDMO [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843048842 794005706 /nfs/dbraw/zinc/00/57/06/794005706.db2.gz ZXQLSMNKQHDLPZ-QMMMGPOBSA-N 1 1 285.731 1.734 20 10 CDCDMO C[C@@H]([NH2+]CCO)c1cc(Br)c(F)cc1O ZINC000134910922 794101895 /nfs/dbraw/zinc/10/18/95/794101895.db2.gz OZJIMROMSYFFRQ-ZCFIWIBFSA-N 1 1 278.121 1.937 20 10 CDCDMO C[C@H](NCc1ccc(N2CCCC2)cc1)C1C[NH2+]C1 ZINC000817898128 794311537 /nfs/dbraw/zinc/31/15/37/794311537.db2.gz DDLDFFXEZQEPIS-ZDUSSCGKSA-N 1 1 259.397 1.984 20 10 CDCDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000180870024 794389006 /nfs/dbraw/zinc/38/90/06/794389006.db2.gz TWSIMHDGCLABGH-UWVGGRQHSA-N 1 1 265.309 1.324 20 10 CDCDMO CC[C@@H]([NH2+]CCN1CCNC1=O)c1ccc(F)cc1O ZINC000886745100 794425176 /nfs/dbraw/zinc/42/51/76/794425176.db2.gz OEOWWCLMVSXASD-GFCCVEGCSA-N 1 1 281.331 1.597 20 10 CDCDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000840957893 794489696 /nfs/dbraw/zinc/48/96/96/794489696.db2.gz LVJVVCZFKNASHT-JTQLQIEISA-N 1 1 282.771 1.956 20 10 CDCDMO COc1cccc([C@@H](C)[NH2+]Cc2nnnn2C2CC2)c1O ZINC000846154521 794778349 /nfs/dbraw/zinc/77/83/49/794778349.db2.gz NOYBTVSYMJIDSP-SECBINFHSA-N 1 1 289.339 1.573 20 10 CDCDMO CN1CCN(c2ccc(C[N@H+](C)[C@H]3CCOC3)cc2)CC1 ZINC000775677558 794981653 /nfs/dbraw/zinc/98/16/53/794981653.db2.gz OBXWAPFXPNJIHH-KRWDZBQOSA-N 1 1 289.423 1.659 20 10 CDCDMO CN1CCN(c2ccc(C[N@@H+](C)[C@H]3CCOC3)cc2)CC1 ZINC000775677558 794981665 /nfs/dbraw/zinc/98/16/65/794981665.db2.gz OBXWAPFXPNJIHH-KRWDZBQOSA-N 1 1 289.423 1.659 20 10 CDCDMO C[C@@H](O)[C@@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000842226748 795306433 /nfs/dbraw/zinc/30/64/33/795306433.db2.gz ZHPLNFAZKMTDDI-HZGVNTEJSA-N 1 1 263.696 1.016 20 10 CDCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1O ZINC000249835550 795346944 /nfs/dbraw/zinc/34/69/44/795346944.db2.gz FJSQIGRGRFPAFQ-GXSJLCMTSA-N 1 1 265.309 1.324 20 10 CDCDMO Oc1c(C[N@@H+]2CCOC[C@@H](O)C2)ccc2ccccc21 ZINC000824625020 795873053 /nfs/dbraw/zinc/87/30/53/795873053.db2.gz DMTDHMMBTHIXCF-AWEZNQCLSA-N 1 1 273.332 1.739 20 10 CDCDMO Oc1c(F)cc(F)cc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000883197520 796039643 /nfs/dbraw/zinc/03/96/43/796039643.db2.gz NLMCIQDOOSAXMX-UHFFFAOYSA-N 1 1 292.289 1.439 20 10 CDCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(C)o2)c1 ZINC000182426699 796081066 /nfs/dbraw/zinc/08/10/66/796081066.db2.gz RANDWQVYJGFMJP-MRVPVSSYSA-N 1 1 263.297 1.943 20 10 CDCDMO COc1ccc(C[NH2+]Cc2csnn2)c(O)c1 ZINC000398441133 796383628 /nfs/dbraw/zinc/38/36/28/796383628.db2.gz XYIFCQIWVQRNOI-UHFFFAOYSA-N 1 1 251.311 1.542 20 10 CDCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(C)ccc2O)CCCO1 ZINC001140623914 897199430 /nfs/dbraw/zinc/19/94/30/897199430.db2.gz WYVUCQLBHVXYTE-CQSZACIVSA-N 1 1 279.336 1.465 20 10 CDCDMO COc1ccc(CN2CC(C)([NH3+])C2)c(O)c1Cl ZINC001204993758 905763338 /nfs/dbraw/zinc/76/33/38/905763338.db2.gz MKBKYTFJGUCEDO-UHFFFAOYSA-N 1 1 256.733 1.587 20 10 CDCDMO Oc1cccc(F)c1C[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001137833088 936418339 /nfs/dbraw/zinc/41/83/39/936418339.db2.gz SEKHNVVABIWHHB-LLVKDONJSA-N 1 1 281.327 1.647 20 10 CDCDMO Cc1cc(F)cc(C[NH+]2CC(N(C)C3COC3)C2)c1O ZINC001238070940 917790863 /nfs/dbraw/zinc/79/08/63/917790863.db2.gz QDIIWOITZYKFRG-UHFFFAOYSA-N 1 1 280.343 1.355 20 10 CDCDMO CN1CCCc2cc(C[N@H+]3CC[C@H](CO)[C@H](O)C3)ccc21 ZINC001138354821 936525029 /nfs/dbraw/zinc/52/50/29/936525029.db2.gz WDMJZEMKKQOSBP-NVXWUHKLSA-N 1 1 290.407 1.244 20 10 CDCDMO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)C[C@H]1O ZINC001138354342 936525490 /nfs/dbraw/zinc/52/54/90/936525490.db2.gz GDUJOMFABSNBAR-BLLLJJGKSA-N 1 1 260.381 1.882 20 10 CDCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)cc1 ZINC000832011751 936552398 /nfs/dbraw/zinc/55/23/98/936552398.db2.gz BDBVIJXUEFOVRH-HUUCEWRRSA-N 1 1 264.369 1.334 20 10 CDCDMO O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1ccccc1O)C2 ZINC001203557113 919404045 /nfs/dbraw/zinc/40/40/45/919404045.db2.gz ZIXTTZJQMLYXDG-UHFFFAOYSA-N 1 1 273.292 1.152 20 10 CDCDMO C[C@]1(CO)CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC001203651368 920312358 /nfs/dbraw/zinc/31/23/58/920312358.db2.gz MUFQWQZUDFGHMH-ZIAGYGMSSA-N 1 1 285.771 1.611 20 10 CDCDMO OC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CC[C@@H]1O ZINC001140462885 936712345 /nfs/dbraw/zinc/71/23/45/936712345.db2.gz NJMPQRJMFGGYBW-JQWIXIFHSA-N 1 1 271.744 1.221 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c1 ZINC001140620011 936731667 /nfs/dbraw/zinc/73/16/67/936731667.db2.gz ZFMAIALJYFKBOJ-DUVNUKRYSA-N 1 1 277.364 1.672 20 10 CDCDMO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141160002 936822262 /nfs/dbraw/zinc/82/22/62/936822262.db2.gz OWBGZWKVQLWPKD-NSHDSACASA-N 1 1 278.352 1.398 20 10 CDCDMO CN1CCC[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@H]21 ZINC001141162055 936823216 /nfs/dbraw/zinc/82/32/16/936823216.db2.gz KMTNROHVHUUCRD-BXUZGUMPSA-N 1 1 262.353 1.624 20 10 CDCDMO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(O)ccc3O)C[C@H]21 ZINC001141162055 936823219 /nfs/dbraw/zinc/82/32/19/936823219.db2.gz KMTNROHVHUUCRD-BXUZGUMPSA-N 1 1 262.353 1.624 20 10 CDCDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(O)ccc3O)C[C@H]21 ZINC001141162055 936823220 /nfs/dbraw/zinc/82/32/20/936823220.db2.gz KMTNROHVHUUCRD-BXUZGUMPSA-N 1 1 262.353 1.624 20 10 CDCDMO [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2O)CCC1(F)F ZINC001205764082 924846055 /nfs/dbraw/zinc/84/60/55/924846055.db2.gz TYVFPQUBBNLFQQ-LLVKDONJSA-N 1 1 256.296 1.808 20 10 CDCDMO [NH3+]C[C@@H]1CN(Cc2ccccc2O)CCC1(F)F ZINC001205764082 924846065 /nfs/dbraw/zinc/84/60/65/924846065.db2.gz TYVFPQUBBNLFQQ-LLVKDONJSA-N 1 1 256.296 1.808 20 10 CDCDMO NC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843054321 937107771 /nfs/dbraw/zinc/10/77/71/937107771.db2.gz KPJMCRRWDYBJFD-MRXNPFEDSA-N 1 1 275.396 1.446 20 10 CDCDMO NC[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843054321 937107773 /nfs/dbraw/zinc/10/77/73/937107773.db2.gz KPJMCRRWDYBJFD-MRXNPFEDSA-N 1 1 275.396 1.446 20 10 CDCDMO CN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CCC[N@H+]1C ZINC000817373840 930514128 /nfs/dbraw/zinc/51/41/28/930514128.db2.gz OVPGOQHSOUUGNW-SWLSCSKDSA-N 1 1 292.379 1.344 20 10 CDCDMO CN1CCC[C@H]1C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000817373840 930514130 /nfs/dbraw/zinc/51/41/30/930514130.db2.gz OVPGOQHSOUUGNW-SWLSCSKDSA-N 1 1 292.379 1.344 20 10 CDCDMO CN1CCC[C@H]1C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000817373840 930514139 /nfs/dbraw/zinc/51/41/39/930514139.db2.gz OVPGOQHSOUUGNW-SWLSCSKDSA-N 1 1 292.379 1.344 20 10 CDCDMO CCNC(=O)CC[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400308 931595336 /nfs/dbraw/zinc/59/53/36/931595336.db2.gz ZZFKULBWCDWBQZ-UHFFFAOYSA-N 1 1 293.411 1.589 20 10 CDCDMO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144499837 931858202 /nfs/dbraw/zinc/85/82/02/931858202.db2.gz LDKNPKNEVAIJMQ-NXEZZACHSA-N 1 1 267.325 1.396 20 10 CDCDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144500111 931858659 /nfs/dbraw/zinc/85/86/59/931858659.db2.gz 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C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC(=O)N1 ZINC000824909033 840011637 /nfs/dbraw/zinc/01/16/37/840011637.db2.gz HUPORUDJZPXTAR-LLVKDONJSA-N 1 1 270.332 1.866 20 10 CDCDMO CCC[N@@H+](CC)CCNC(=O)NCCc1ccc(N)cc1 ZINC000841848670 840092110 /nfs/dbraw/zinc/09/21/10/840092110.db2.gz VTEWPDAFUDXEFD-UHFFFAOYSA-N 1 1 292.427 1.842 20 10 CDCDMO CCC[N@H+]1CC[C@@H](NCc2c(O)cccc2OC)C1 ZINC000850394934 840314276 /nfs/dbraw/zinc/31/42/76/840314276.db2.gz JGVMVWQDOWTMGK-GFCCVEGCSA-N 1 1 264.369 1.975 20 10 CDCDMO CC1(CO)C[NH+](Cc2c(O)cccc2Br)C1 ZINC000862390052 840388089 /nfs/dbraw/zinc/38/80/89/840388089.db2.gz RBDFUWISXGTDMD-UHFFFAOYSA-N 1 1 286.169 1.969 20 10 CDCDMO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c(O)c1 ZINC000877574744 840511996 /nfs/dbraw/zinc/51/19/96/840511996.db2.gz UEYXDZXWEQTOBV-AWEZNQCLSA-N 1 1 291.395 1.936 20 10 CDCDMO Cn1cc(C[NH2+]Cc2ccc(Br)cc2O)nn1 ZINC000701078478 840748850 /nfs/dbraw/zinc/74/88/50/840748850.db2.gz QPRPKHHXALZBCV-UHFFFAOYSA-N 1 1 297.156 1.573 20 10 CDCDMO 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CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccccc2O)C1 ZINC000827936917 711806828 /nfs/dbraw/zinc/80/68/28/711806828.db2.gz GMYBIWSBTOQVTC-RISCZKNCSA-N 1 1 278.352 1.290 20 10 CDCDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccccc2O)C1 ZINC000827936917 711806829 /nfs/dbraw/zinc/80/68/29/711806829.db2.gz GMYBIWSBTOQVTC-RISCZKNCSA-N 1 1 278.352 1.290 20 10 CDCDMO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1c(O)cccc1F ZINC000886550092 711811106 /nfs/dbraw/zinc/81/11/06/711811106.db2.gz SDYXORFMJUQFAA-HZMBPMFUSA-N 1 1 283.343 1.969 20 10 CDCDMO CC[C@H](C)[N@@H+](CCO)Cc1cc(OC)ccc1O ZINC000862387139 711830767 /nfs/dbraw/zinc/83/07/67/711830767.db2.gz HMEIKPUVLQNTNM-NSHDSACASA-N 1 1 253.342 1.994 20 10 CDCDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H](O)C2CC2)c1 ZINC000809751789 711831251 /nfs/dbraw/zinc/83/12/51/711831251.db2.gz KKSOFBYWIIPFTH-CQSZACIVSA-N 1 1 251.326 1.604 20 10 CDCDMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1O ZINC000136822974 711836323 /nfs/dbraw/zinc/83/63/23/711836323.db2.gz CLSYDXPEKMBVTP-RYUDHWBXSA-N 1 1 265.353 1.994 20 10 CDCDMO COc1cc(O)c(CN2CCC[C@@H]([NH3+])CC2)c(OC)c1 ZINC001205109082 913667897 /nfs/dbraw/zinc/66/78/97/913667897.db2.gz ALRGNMXMXJNJOG-LLVKDONJSA-N 1 1 280.368 1.723 20 10 CDCDMO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(F)cc1O ZINC000834906861 896001160 /nfs/dbraw/zinc/00/11/60/896001160.db2.gz IHLRJHAWGVCSBO-WCABBAIRSA-N 1 1 266.316 1.836 20 10 CDCDMO CCc1cccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c1O ZINC000690739964 896804196 /nfs/dbraw/zinc/80/41/96/896804196.db2.gz RKGNNWJELWJGAG-GFCCVEGCSA-N 1 1 263.341 1.197 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000690787918 898216435 /nfs/dbraw/zinc/21/64/35/898216435.db2.gz BPNFHFIFHRCRFO-AAEUAGOBSA-N 1 1 263.337 1.869 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CC[C@]1(C)O ZINC001141156367 899822709 /nfs/dbraw/zinc/82/27/09/899822709.db2.gz KUPXNIQOZKLBFP-YGRLFVJLSA-N 1 1 251.326 1.691 20 10 CDCDMO COc1ccc(C[N@@H+](C)CCN2CCOCC2)c(O)c1 ZINC000092974969 904516701 /nfs/dbraw/zinc/51/67/01/904516701.db2.gz IZDCUOOOAMJCLQ-UHFFFAOYSA-N 1 1 280.368 1.165 20 10 CDCDMO CN(C)c1ccc(/C=C/C(=O)N2CC3(CC[N@@H+]3C)C2)cc1 ZINC001270932330 905457953 /nfs/dbraw/zinc/45/79/53/905457953.db2.gz MJKTVESCIHLVMI-RMKNXTFCSA-N 1 1 285.391 1.682 20 10 CDCDMO CN(C)c1ccc(/C=C/C(=O)N2CC3(CC[N@H+]3C)C2)cc1 ZINC001270932330 905457960 /nfs/dbraw/zinc/45/79/60/905457960.db2.gz MJKTVESCIHLVMI-RMKNXTFCSA-N 1 1 285.391 1.682 20 10 CDCDMO COc1cccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c1O ZINC001206154117 911174069 /nfs/dbraw/zinc/17/40/69/911174069.db2.gz GPCGTHHEVSKCIN-NEPJUHHUSA-N 1 1 268.332 1.662 20 10 CDCDMO COc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c1O ZINC001206154117 911174080 /nfs/dbraw/zinc/17/40/80/911174080.db2.gz GPCGTHHEVSKCIN-NEPJUHHUSA-N 1 1 268.332 1.662 20 10 CDCDMO COc1ccc(CN2C[C@H]([NH3+])C[C@H](F)C2)c(O)c1Cl ZINC001206443878 916883873 /nfs/dbraw/zinc/88/38/73/916883873.db2.gz ABQQGVSKYMQOIP-VHSXEESVSA-N 1 1 288.750 1.925 20 10 CDCDMO CNC(=O)C[N@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138252560 936501906 /nfs/dbraw/zinc/50/19/06/936501906.db2.gz LNQTTXLKKOVCJD-UHFFFAOYSA-N 1 1 259.353 1.665 20 10 CDCDMO CNC(=O)C[N@@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138252560 936501908 /nfs/dbraw/zinc/50/19/08/936501908.db2.gz LNQTTXLKKOVCJD-UHFFFAOYSA-N 1 1 259.353 1.665 20 10 CDCDMO CN1CCCc2cc(C[N@H+]3CCOC[C@](C)(O)C3)ccc21 ZINC001138354234 936525095 /nfs/dbraw/zinc/52/50/95/936525095.db2.gz BRBXGVAQILIMBU-QGZVFWFLSA-N 1 1 290.407 1.652 20 10 CDCDMO CCOc1cccc(C[NH+]2CC(N3CC(F)C3)C2)c1O ZINC001203602292 919340031 /nfs/dbraw/zinc/34/00/31/919340031.db2.gz NJEPXGLNNXUPOR-UHFFFAOYSA-N 1 1 280.343 1.629 20 10 CDCDMO COc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001203620417 919674579 /nfs/dbraw/zinc/67/45/79/919674579.db2.gz FBEQFMYXKKPFDE-YPMHNXCESA-N 1 1 255.289 1.306 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1 ZINC001140620012 936731603 /nfs/dbraw/zinc/73/16/03/936731603.db2.gz ZFMAIALJYFKBOJ-IVMMDQJWSA-N 1 1 277.364 1.672 20 10 CDCDMO Cc1c(O)ccc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c1O ZINC001140741792 936748339 /nfs/dbraw/zinc/74/83/39/936748339.db2.gz CEIOSEURBYJPIF-GWCFXTLKSA-N 1 1 265.353 1.999 20 10 CDCDMO Cc1c(O)ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)c1O ZINC001140745551 936749166 /nfs/dbraw/zinc/74/91/66/936749166.db2.gz KKVJVURKWOKFNI-UHFFFAOYSA-N 1 1 290.363 1.460 20 10 CDCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140747704 936749801 /nfs/dbraw/zinc/74/98/01/936749801.db2.gz JFUYJTTVYZIBGN-GFCCVEGCSA-N 1 1 264.325 1.117 20 10 CDCDMO CN1CCOc2cc(C[N@H+](C)Cc3cnccn3)ccc21 ZINC001141143686 936819417 /nfs/dbraw/zinc/81/94/17/936819417.db2.gz FTWDXBVMNBZLIW-UHFFFAOYSA-N 1 1 284.363 1.937 20 10 CDCDMO CN1CCOc2cc(C[N@@H+](C)Cc3cnccn3)ccc21 ZINC001141143686 936819418 /nfs/dbraw/zinc/81/94/18/936819418.db2.gz FTWDXBVMNBZLIW-UHFFFAOYSA-N 1 1 284.363 1.937 20 10 CDCDMO CC[N@@H+](CCC(N)=O)Cc1ccc2c(c1)OCCN2C ZINC001141143275 936819456 /nfs/dbraw/zinc/81/94/56/936819456.db2.gz RYFZVXOQSOVOPM-UHFFFAOYSA-N 1 1 277.368 1.213 20 10 CDCDMO CN1CCOc2cc(C[N@H+]3CC[C@]34CCOC4)ccc21 ZINC001141146151 936820472 /nfs/dbraw/zinc/82/04/72/936820472.db2.gz MPLKHWBIUQIYLX-MRXNPFEDSA-N 1 1 274.364 1.880 20 10 CDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156102 936821506 /nfs/dbraw/zinc/82/15/06/936821506.db2.gz FFNYIADUGYUVEF-VIFPVBQESA-N 1 1 251.282 1.093 20 10 CDCDMO CC[N@@H+](CCCC(=O)OC)Cc1cc(O)ccc1O ZINC001141156323 936821540 /nfs/dbraw/zinc/82/15/40/936821540.db2.gz JJYKSUUXDRUMQH-UHFFFAOYSA-N 1 1 267.325 1.873 20 10 CDCDMO COC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2F)C[C@@H]1C ZINC001137841860 923278858 /nfs/dbraw/zinc/27/88/58/923278858.db2.gz XYSAAALUEWSJEG-UWVGGRQHSA-N 1 1 267.300 1.772 20 10 CDCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(O)cccc2F)C[C@@H]1C ZINC001137841860 923278873 /nfs/dbraw/zinc/27/88/73/923278873.db2.gz XYSAAALUEWSJEG-UWVGGRQHSA-N 1 1 267.300 1.772 20 10 CDCDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1O ZINC001141160678 936823280 /nfs/dbraw/zinc/82/32/80/936823280.db2.gz GZXONVIMFHSBKW-ZDUSSCGKSA-N 1 1 251.326 1.833 20 10 CDCDMO Cc1cc(C)c(C(N)=O)c(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001169992677 928873025 /nfs/dbraw/zinc/87/30/25/928873025.db2.gz ANWFIUQVZDPXKM-UHFFFAOYSA-N 1 1 287.319 1.821 20 10 CDCDMO CN(C)C(=O)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816544128 930305001 /nfs/dbraw/zinc/30/50/01/930305001.db2.gz YOURMYIMQQOGHN-UHFFFAOYSA-N 1 1 274.723 1.753 20 10 CDCDMO OCC[C@]1([NH2+]Cc2cc(Cl)c(F)cc2O)CCOC1 ZINC000816593164 930315880 /nfs/dbraw/zinc/31/58/80/930315880.db2.gz HBXVXVGLCJCTOX-ZDUSSCGKSA-N 1 1 289.734 1.816 20 10 CDCDMO Cc1cc(C[N@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)ccc1N(C)C ZINC001275360685 931747303 /nfs/dbraw/zinc/74/73/03/931747303.db2.gz GWHGNAOVRMHWLD-IYBDPMFKSA-N 1 1 289.423 1.576 20 10 CDCDMO Cc1cc(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)ccc1N(C)C ZINC001275360685 931747308 /nfs/dbraw/zinc/74/73/08/931747308.db2.gz GWHGNAOVRMHWLD-IYBDPMFKSA-N 1 1 289.423 1.576 20 10 CDCDMO Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)ccc1N(C)C ZINC001275360685 931747312 /nfs/dbraw/zinc/74/73/12/931747312.db2.gz GWHGNAOVRMHWLD-IYBDPMFKSA-N 1 1 289.423 1.576 20 10 CDCDMO Cc1cc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)ccc1N(C)C ZINC001275360685 931747317 /nfs/dbraw/zinc/74/73/17/931747317.db2.gz GWHGNAOVRMHWLD-IYBDPMFKSA-N 1 1 289.423 1.576 20 10 CDCDMO COC[C@H]1CCCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144503870 931865426 /nfs/dbraw/zinc/86/54/26/931865426.db2.gz GNORCCMHLONRNK-SNVBAGLBSA-N 1 1 267.325 1.804 20 10 CDCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)CCO)c1 ZINC000846111221 931975438 /nfs/dbraw/zinc/97/54/38/931975438.db2.gz MXRMWYCGGYGMPD-NSHDSACASA-N 1 1 253.342 1.994 20 10 CDCDMO CCc1cccc(C[N@H+]2CC[C@](C)(C(=O)NC)C2)c1O ZINC000692092363 934380997 /nfs/dbraw/zinc/38/09/97/934380997.db2.gz KSYZEQDTOXPNIB-INIZCTEOSA-N 1 1 276.380 1.913 20 10 CDCDMO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccccc1O)C2 ZINC001203551789 939692909 /nfs/dbraw/zinc/69/29/09/939692909.db2.gz OEWSDVHPGSRLMM-GDBMZVCRSA-N 1 1 290.363 1.119 20 10 CDCDMO COc1cccc(C[N@@H+]2CCc3ncn(C)c3C2)c1O ZINC001203601795 939695356 /nfs/dbraw/zinc/69/53/56/939695356.db2.gz LIVOTQMCSTXVAN-UHFFFAOYSA-N 1 1 273.336 1.693 20 10 CDCDMO COc1cccc(C[N@H+]2CCc3ncn(C)c3C2)c1O ZINC001203601795 939695357 /nfs/dbraw/zinc/69/53/57/939695357.db2.gz LIVOTQMCSTXVAN-UHFFFAOYSA-N 1 1 273.336 1.693 20 10 CDCDMO COc1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c(O)c1 ZINC001203621682 939697131 /nfs/dbraw/zinc/69/71/31/939697131.db2.gz YQIHEWIBXMCNMM-LLVKDONJSA-N 1 1 287.306 1.850 20 10 CDCDMO Oc1ccc(C[NH+]2CCN(c3cccnc3)CC2)cc1O ZINC001203875588 939710458 /nfs/dbraw/zinc/71/04/58/939710458.db2.gz QXOYTEBYPBINRD-UHFFFAOYSA-N 1 1 285.347 1.815 20 10 CDCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203883230 939711433 /nfs/dbraw/zinc/71/14/33/939711433.db2.gz GLEMCEVGHVCHIX-CQSZACIVSA-N 1 1 265.309 1.483 20 10 CDCDMO Oc1ccc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc1O ZINC001203880762 939711766 /nfs/dbraw/zinc/71/17/66/939711766.db2.gz YVFAXKAMQHNWQH-AGCIHXOGSA-N 1 1 261.321 1.707 20 10 CDCDMO C[N@@H+](Cc1ccc(O)cc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001204277355 939751259 /nfs/dbraw/zinc/75/12/59/939751259.db2.gz BFLAXITWUWZSQZ-GFCCVEGCSA-N 1 1 279.336 1.825 20 10 CDCDMO [NH3+][C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001205117939 939824631 /nfs/dbraw/zinc/82/46/31/939824631.db2.gz ZHVXGVNGQQSOND-JTQLQIEISA-N 1 1 256.296 1.984 20 10 CDCDMO N[C@H]1CC[N@H+](Cc2ccc(O)cc2O)CC[C@@H]1F ZINC001206163316 939988510 /nfs/dbraw/zinc/98/85/10/939988510.db2.gz BOLSZZACZJZHJH-RYUDHWBXSA-N 1 1 254.305 1.359 20 10 CDCDMO N[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)CC[C@@H]1F ZINC001206163316 939988512 /nfs/dbraw/zinc/98/85/12/939988512.db2.gz BOLSZZACZJZHJH-RYUDHWBXSA-N 1 1 254.305 1.359 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c1 ZINC001206173314 939991012 /nfs/dbraw/zinc/99/10/12/939991012.db2.gz GXPIEOQAHQUWMS-OLZOCXBDSA-N 1 1 252.333 1.962 20 10 CDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c1 ZINC001206173314 939991013 /nfs/dbraw/zinc/99/10/13/939991013.db2.gz GXPIEOQAHQUWMS-OLZOCXBDSA-N 1 1 252.333 1.962 20 10 CDCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c(O)c1 ZINC001206197897 939996048 /nfs/dbraw/zinc/99/60/48/939996048.db2.gz KFJHVVSLZMQORV-KGLIPLIRSA-N 1 1 282.359 1.970 20 10 CDCDMO COc1cc(C)c(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c(O)c1 ZINC001206197897 939996052 /nfs/dbraw/zinc/99/60/52/939996052.db2.gz KFJHVVSLZMQORV-KGLIPLIRSA-N 1 1 282.359 1.970 20 10 CDCDMO COc1cc(C[N@H+]2CCC[C@H](O)CC2)c(O)cc1O ZINC001231633937 942949722 /nfs/dbraw/zinc/94/97/22/942949722.db2.gz DZSMBMRDMAPQJJ-NSHDSACASA-N 1 1 267.325 1.453 20 10 CDCDMO COc1cc(C[N@@H+](C)[C@H]2CCCOC2)c(O)cc1O ZINC001231641070 942956936 /nfs/dbraw/zinc/95/69/36/942956936.db2.gz YSRZGLQHSNHKNK-NSHDSACASA-N 1 1 267.325 1.717 20 10 CDCDMO C[N@H+](Cc1ccc2ccccc2c1O)C[C@H](O)CO ZINC001231878666 943036200 /nfs/dbraw/zinc/03/62/00/943036200.db2.gz OOZNBTGYDQSHQO-ZDUSSCGKSA-N 1 1 261.321 1.330 20 10 CDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC001231914865 943053547 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CCOc1cccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000131003030 521332598 /nfs/dbraw/zinc/33/25/98/521332598.db2.gz PVGKBRIJOXPROF-NSPYISDASA-N 1 1 285.409 1.990 20 10 CDCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000236825903 521600674 /nfs/dbraw/zinc/60/06/74/521600674.db2.gz JDOUISNGRJPNMV-HNNXBMFYSA-N 1 1 275.396 1.802 20 10 CDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCCO)c1 ZINC000279517366 522135641 /nfs/dbraw/zinc/13/56/41/522135641.db2.gz OAVMHXQLUFQADT-SNVBAGLBSA-N 1 1 267.325 1.602 20 10 CDCDMO CCOc1ccc(C[N@H+]2CC[C@](C)(O)C2)c(O)c1 ZINC000769541639 575358153 /nfs/dbraw/zinc/35/81/53/575358153.db2.gz FBEQQDXINLGANC-AWEZNQCLSA-N 1 1 251.326 1.748 20 10 CDCDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1=CC(=O)CS1 ZINC000734552671 575358074 /nfs/dbraw/zinc/35/80/74/575358074.db2.gz JOKNQNACHVYKSM-JTQLQIEISA-N 1 1 268.382 1.868 20 10 CDCDMO CCOc1ccc(C[N@@H+]2CC[C@](F)(C(=O)OC)C2)c(O)c1 ZINC000769564282 575360351 /nfs/dbraw/zinc/36/03/51/575360351.db2.gz OORFSKUTRUHJFF-OAHLLOKOSA-N 1 1 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CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@H]1OC ZINC000894466945 618903418 /nfs/dbraw/zinc/90/34/18/618903418.db2.gz QFMNWUMNPWWEOQ-OUCADQQQSA-N 1 1 287.306 1.952 20 10 CDCDMO COc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(O)c1OC ZINC000894670259 619010172 /nfs/dbraw/zinc/01/01/72/619010172.db2.gz FIEGQHUSUBZNQD-SNVBAGLBSA-N 1 1 255.289 1.953 20 10 CDCDMO COc1ccc(C[N@H+]2CC[C@@H](F)C2)c(O)c1OC ZINC000894670259 619010175 /nfs/dbraw/zinc/01/01/75/619010175.db2.gz FIEGQHUSUBZNQD-SNVBAGLBSA-N 1 1 255.289 1.953 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000895323177 619553730 /nfs/dbraw/zinc/55/37/30/619553730.db2.gz AFMMPUMHHPBVLL-HOTGVXAUSA-N 1 1 278.396 1.379 20 10 CDCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)cc1C ZINC000895327875 619565515 /nfs/dbraw/zinc/56/55/15/619565515.db2.gz DZTUFHNHOVGCQR-DZGCQCFKSA-N 1 1 265.353 1.327 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CCSC[C@H]2CO)c1O ZINC000895471672 619689933 /nfs/dbraw/zinc/68/99/33/619689933.db2.gz ZSZUOOULHYBALZ-GFCCVEGCSA-N 1 1 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CREVUIILLLUXBF-UHFFFAOYSA-N 1 1 292.351 1.165 20 10 CDCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCC(=O)NC1=O ZINC000799125970 677925563 /nfs/dbraw/zinc/92/55/63/677925563.db2.gz VZZTYRVAZNTZRX-GFCCVEGCSA-N 1 1 276.336 1.409 20 10 CDCDMO CCc1cccc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c1O ZINC000827001392 677953527 /nfs/dbraw/zinc/95/35/27/677953527.db2.gz VMYAYNFUYZPDDN-CQSZACIVSA-N 1 1 290.363 1.981 20 10 CDCDMO Oc1ccc(F)cc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000139744755 678187958 /nfs/dbraw/zinc/18/79/58/678187958.db2.gz XDLZPLSTMAZYMO-UHFFFAOYSA-N 1 1 288.326 1.644 20 10 CDCDMO COC[C@]1(C)CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840103988 679666931 /nfs/dbraw/zinc/66/69/31/679666931.db2.gz JBGBAZJXCSLYTJ-GOEBONIOSA-N 1 1 293.363 1.676 20 10 CDCDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(O)c1O ZINC000126355352 679685083 /nfs/dbraw/zinc/68/50/83/679685083.db2.gz CJQAPTMHQFCQAH-SECBINFHSA-N 1 1 262.309 1.064 20 10 CDCDMO CO[C@H](C)[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939341 677826071 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ZINC000817981025 681753245 /nfs/dbraw/zinc/75/32/45/681753245.db2.gz GCVNMVAFMUWHPA-OLZOCXBDSA-N 1 1 264.369 1.730 20 10 CDCDMO Cc1ccc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(O)c1 ZINC000876739343 681812472 /nfs/dbraw/zinc/81/24/72/681812472.db2.gz OWBNBNPPAVWTLB-RYUDHWBXSA-N 1 1 285.409 1.954 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1O ZINC000249835555 681849051 /nfs/dbraw/zinc/84/90/51/681849051.db2.gz FJSQIGRGRFPAFQ-MWLCHTKSSA-N 1 1 265.309 1.324 20 10 CDCDMO C[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000824988658 681849331 /nfs/dbraw/zinc/84/93/31/681849331.db2.gz QNXOZPUAXKHMRG-ZDUSSCGKSA-N 1 1 295.402 1.702 20 10 CDCDMO C[C@H]([NH2+]CC(=O)NCC1CC1)c1c(O)cccc1F ZINC000886586790 681856740 /nfs/dbraw/zinc/85/67/40/681856740.db2.gz XHFPELUFFFJNME-VIFPVBQESA-N 1 1 266.316 1.708 20 10 CDCDMO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1O ZINC000775137034 681875048 /nfs/dbraw/zinc/87/50/48/681875048.db2.gz QLYKBNJCUODGAL-SECBINFHSA-N 1 1 259.313 1.564 20 10 CDCDMO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1c(O)cccc1F ZINC000886536726 682175843 /nfs/dbraw/zinc/17/58/43/682175843.db2.gz NTFGLXDKZKTBGF-GXSJLCMTSA-N 1 1 266.316 1.803 20 10 CDCDMO COc1cc(O)c(C[N@@H+](C)C[C@H](O)C2CC2)cc1OC ZINC000809752474 682241357 /nfs/dbraw/zinc/24/13/57/682241357.db2.gz SKKSSEXXFZWMPV-ZDUSSCGKSA-N 1 1 281.352 1.612 20 10 CDCDMO Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000858283240 682244723 /nfs/dbraw/zinc/24/47/23/682244723.db2.gz ZZVUEQDTZCZHQS-ZDUSSCGKSA-N 1 1 291.395 1.842 20 10 CDCDMO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1[O-] ZINC000883442787 682283412 /nfs/dbraw/zinc/28/34/12/682283412.db2.gz SPOYFGLADNCGIF-QWHCGFSZSA-N 1 1 280.343 1.949 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000827131862 682315870 /nfs/dbraw/zinc/31/58/70/682315870.db2.gz DWQNNRWXMDRRSY-TZMCWYRMSA-N 1 1 274.364 1.801 20 10 CDCDMO CCc1cccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c1O ZINC000848905086 682382256 /nfs/dbraw/zinc/38/22/56/682382256.db2.gz GQBLMPXSBAQTMS-LLVKDONJSA-N 1 1 262.353 1.617 20 10 CDCDMO CCc1cccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c1O ZINC000848905086 682382265 /nfs/dbraw/zinc/38/22/65/682382265.db2.gz GQBLMPXSBAQTMS-LLVKDONJSA-N 1 1 262.353 1.617 20 10 CDCDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCNC2=O)cc1Cl ZINC000824943416 682436904 /nfs/dbraw/zinc/43/69/04/682436904.db2.gz NGBNZVZZWNRGII-NSHDSACASA-N 1 1 268.744 1.674 20 10 CDCDMO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000935945953 682489120 /nfs/dbraw/zinc/48/91/20/682489120.db2.gz QZTQBELCCQKMHC-NSHDSACASA-N 1 1 283.368 1.446 20 10 CDCDMO Cc1cc(CN2CC[N@H+](C)C[C@H]2CO)ccc1N(C)C ZINC000879000712 682648233 /nfs/dbraw/zinc/64/82/33/682648233.db2.gz IAORAIUDFJZDIY-HNNXBMFYSA-N 1 1 277.412 1.169 20 10 CDCDMO Cc1cc(CN2CC[N@@H+](C)C[C@H]2CO)ccc1N(C)C ZINC000879000712 682648244 /nfs/dbraw/zinc/64/82/44/682648244.db2.gz IAORAIUDFJZDIY-HNNXBMFYSA-N 1 1 277.412 1.169 20 10 CDCDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000788266757 682734422 /nfs/dbraw/zinc/73/44/22/682734422.db2.gz BJCUXMSMLAKBHU-JSGCOSHPSA-N 1 1 294.370 1.617 20 10 CDCDMO CS(=O)(=O)CC[N@H+](Cc1ccccc1O)C1CC1 ZINC000179583176 682744815 /nfs/dbraw/zinc/74/48/15/682744815.db2.gz GLZKOYNXVHEVHH-UHFFFAOYSA-N 1 1 269.366 1.401 20 10 CDCDMO CS(=O)(=O)CC[N@@H+](Cc1ccccc1O)C1CC1 ZINC000179583176 682744822 /nfs/dbraw/zinc/74/48/22/682744822.db2.gz GLZKOYNXVHEVHH-UHFFFAOYSA-N 1 1 269.366 1.401 20 10 CDCDMO COc1cc(C(=O)N[C@H]2CC[N@H+](C(C)C)C2)cc(OC)n1 ZINC001015104230 682809628 /nfs/dbraw/zinc/80/96/28/682809628.db2.gz REKWMLRGSFSEKW-LBPRGKRZSA-N 1 1 293.367 1.311 20 10 CDCDMO Oc1ccccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000778994410 683049852 /nfs/dbraw/zinc/04/98/52/683049852.db2.gz CRXYTIGJPAPDNP-HNNXBMFYSA-N 1 1 276.380 1.689 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000852495197 683054346 /nfs/dbraw/zinc/05/43/46/683054346.db2.gz KFOAVXCATLQKMQ-HOCLYGCPSA-N 1 1 287.407 1.853 20 10 CDCDMO CC[N@H+]1CC[C@H]1CNC(=O)NCc1cc(C)ccc1O ZINC000883900270 683094206 /nfs/dbraw/zinc/09/42/06/683094206.db2.gz HAEWMPCGIYLCRU-ZDUSSCGKSA-N 1 1 277.368 1.594 20 10 CDCDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cccc(O)c1O ZINC000790589042 683151245 /nfs/dbraw/zinc/15/12/45/683151245.db2.gz DCHUWOLDUZOENT-UHFFFAOYSA-N 1 1 289.335 1.848 20 10 CDCDMO NC(=O)C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000808228786 683192058 /nfs/dbraw/zinc/19/20/58/683192058.db2.gz NNWZKQFIFGSKBB-LLVKDONJSA-N 1 1 285.347 1.638 20 10 CDCDMO COCC[C@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886604990 683225186 /nfs/dbraw/zinc/22/51/86/683225186.db2.gz HJSRVFWNDSIJIQ-NXEZZACHSA-N 1 1 257.305 1.579 20 10 CDCDMO Cc1cc(C[N@@H+]2CCc3cnc(N)nc3C2)ccc1N(C)C ZINC000857923634 683253261 /nfs/dbraw/zinc/25/32/61/683253261.db2.gz IXCCVKZOEGUYPC-UHFFFAOYSA-N 1 1 297.406 1.992 20 10 CDCDMO Cc1cc(C[N@H+]2CCc3cnc(N)nc3C2)ccc1N(C)C ZINC000857923634 683253266 /nfs/dbraw/zinc/25/32/66/683253266.db2.gz IXCCVKZOEGUYPC-UHFFFAOYSA-N 1 1 297.406 1.992 20 10 CDCDMO COc1ccc(O)c(C[N@@H+](C)CC2(C)COC2)c1 ZINC000862476492 683258911 /nfs/dbraw/zinc/25/89/11/683258911.db2.gz BBPXROAHKUMBCC-UHFFFAOYSA-N 1 1 251.326 1.869 20 10 CDCDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000797415329 683261125 /nfs/dbraw/zinc/26/11/25/683261125.db2.gz UPRGGOAMIBRMRO-MRXNPFEDSA-N 1 1 292.379 1.667 20 10 CDCDMO OCCC[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000825338343 683262530 /nfs/dbraw/zinc/26/25/30/683262530.db2.gz ONNMGAJOTHYUAS-NSHDSACASA-N 1 1 279.336 1.715 20 10 CDCDMO COc1c(O)c(C[NH2+][C@@H]2CCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000824903877 683333746 /nfs/dbraw/zinc/33/37/46/683333746.db2.gz ONMSEDMQGCHJKF-ZYHUDNBSSA-N 1 1 296.323 1.966 20 10 CDCDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000040620420 683427129 /nfs/dbraw/zinc/42/71/29/683427129.db2.gz MECQABBKHXLVDN-CQSZACIVSA-N 1 1 275.396 1.658 20 10 CDCDMO c1cc(N2CCOCC2)ccc1CNCCC[NH2+]C1CC1 ZINC000841093397 683573776 /nfs/dbraw/zinc/57/37/76/683573776.db2.gz RWQDIILOYLGWTK-UHFFFAOYSA-N 1 1 289.423 1.755 20 10 CDCDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1 ZINC000180784133 683654518 /nfs/dbraw/zinc/65/45/18/683654518.db2.gz OCTWPPASZMJLMP-ZDUSSCGKSA-N 1 1 292.379 1.701 20 10 CDCDMO Cc1cc(O)c(C[N@H+]2CCCN(C=O)CC2)cc1C ZINC000827871444 683707871 /nfs/dbraw/zinc/70/78/71/683707871.db2.gz ANUGJEGONJAHEK-UHFFFAOYSA-N 1 1 262.353 1.673 20 10 CDCDMO COc1cc(C[N@@H+]2CCO[C@H](CF)C2)c(O)cc1C ZINC000840171767 683838306 /nfs/dbraw/zinc/83/83/06/683838306.db2.gz IGNOLNUAQMPBJJ-GFCCVEGCSA-N 1 1 269.316 1.880 20 10 CDCDMO COc1cc(C[N@H+]2CCO[C@H](CF)C2)c(O)cc1C ZINC000840171767 683838309 /nfs/dbraw/zinc/83/83/09/683838309.db2.gz IGNOLNUAQMPBJJ-GFCCVEGCSA-N 1 1 269.316 1.880 20 10 CDCDMO CN1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1=O ZINC000816555687 683923249 /nfs/dbraw/zinc/92/32/49/683923249.db2.gz NFBIQLFUCSVAJV-LLVKDONJSA-N 1 1 286.734 1.895 20 10 CDCDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000779217188 683951267 /nfs/dbraw/zinc/95/12/67/683951267.db2.gz QNRVUKGVZZBBEV-QGZVFWFLSA-N 1 1 290.407 1.870 20 10 CDCDMO [NH3+]C[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000843048249 683974375 /nfs/dbraw/zinc/97/43/75/683974375.db2.gz GDZZICFAMIQGNG-MRVPVSSYSA-N 1 1 258.724 1.965 20 10 CDCDMO C[N@H+]1CCC[C@@H](CCNC(=O)NCc2ccccc2O)C1 ZINC000838059470 683983904 /nfs/dbraw/zinc/98/39/04/683983904.db2.gz BJPDMWMZBGCOMR-ZDUSSCGKSA-N 1 1 291.395 1.923 20 10 CDCDMO COc1ccc(C[NH2+]CCc2n[nH]c(C)n2)c(O)c1OC ZINC000893460298 684025281 /nfs/dbraw/zinc/02/52/81/684025281.db2.gz GRLXUTKZUCQGAB-UHFFFAOYSA-N 1 1 292.339 1.168 20 10 CDCDMO COc1ccc(C[NH2+]CCc2nnc(C)[nH]2)c(O)c1OC ZINC000893460298 684025282 /nfs/dbraw/zinc/02/52/82/684025282.db2.gz GRLXUTKZUCQGAB-UHFFFAOYSA-N 1 1 292.339 1.168 20 10 CDCDMO CCc1cccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000848908107 684031184 /nfs/dbraw/zinc/03/11/84/684031184.db2.gz NSEWXAGDEZTUJR-KGLIPLIRSA-N 1 1 290.363 1.885 20 10 CDCDMO C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C)C[N@@H+]1C ZINC000790912157 684038044 /nfs/dbraw/zinc/03/80/44/684038044.db2.gz YVYHTNQCEAVULC-ZJUUUORDSA-N 1 1 264.325 1.262 20 10 CDCDMO C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C)C[N@H+]1C ZINC000790912157 684038048 /nfs/dbraw/zinc/03/80/48/684038048.db2.gz YVYHTNQCEAVULC-ZJUUUORDSA-N 1 1 264.325 1.262 20 10 CDCDMO COc1ccc(N(C)CC[N@@H+](C)[C@H](C)C(=O)N(C)C)cc1 ZINC000844399413 684057697 /nfs/dbraw/zinc/05/76/97/684057697.db2.gz ICYKECDJYOLLTB-CYBMUJFWSA-N 1 1 293.411 1.540 20 10 CDCDMO CC1=CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000797822207 684103512 /nfs/dbraw/zinc/10/35/12/684103512.db2.gz MABSZLFSNKKREW-CQSZACIVSA-N 1 1 261.321 1.970 20 10 CDCDMO CNC(=O)CCC[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000164604125 684104133 /nfs/dbraw/zinc/10/41/33/684104133.db2.gz CRAPJHXWCUMNOT-UHFFFAOYSA-N 1 1 264.369 1.967 20 10 CDCDMO C[C@@H](NC(=O)CC[NH+]1CCOCC1)c1ccccc1O ZINC000827930610 684146265 /nfs/dbraw/zinc/14/62/65/684146265.db2.gz MRRBGDNZPAMVNZ-GFCCVEGCSA-N 1 1 278.352 1.292 20 10 CDCDMO COc1cccc(C[N@H+]2CCN(C)[C@@H](C)[C@@H]2C)c1O ZINC000775983098 684166583 /nfs/dbraw/zinc/16/65/83/684166583.db2.gz BBZBYQPOLZVXJF-RYUDHWBXSA-N 1 1 264.369 1.925 20 10 CDCDMO COc1cccc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1O ZINC000775983098 684166585 /nfs/dbraw/zinc/16/65/85/684166585.db2.gz BBZBYQPOLZVXJF-RYUDHWBXSA-N 1 1 264.369 1.925 20 10 CDCDMO COc1cccc(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1O ZINC000775983098 684166587 /nfs/dbraw/zinc/16/65/87/684166587.db2.gz BBZBYQPOLZVXJF-RYUDHWBXSA-N 1 1 264.369 1.925 20 10 CDCDMO [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000312315702 684253598 /nfs/dbraw/zinc/25/35/98/684253598.db2.gz AXXFINGJVOKTCM-LBPRGKRZSA-N 1 1 295.814 1.525 20 10 CDCDMO [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000312315702 684253605 /nfs/dbraw/zinc/25/36/05/684253605.db2.gz AXXFINGJVOKTCM-LBPRGKRZSA-N 1 1 295.814 1.525 20 10 CDCDMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000020534917 1171427315 /nfs/dbraw/zinc/42/73/15/1171427315.db2.gz MXLSMCSAPGOJED-MRXNPFEDSA-N 1 1 289.423 1.911 20 10 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UZQBPEFGUZVALR-JTQLQIEISA-N 1 1 264.325 1.264 20 10 CDCDMO COc1cccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1O ZINC000825702855 723781485 /nfs/dbraw/zinc/78/14/85/723781485.db2.gz GGLFLZPUBSLLAJ-ZYHUDNBSSA-N 1 1 278.352 1.357 20 10 CDCDMO Cc1cccc(O)c1C[N@H+](C)CC(=O)NC(C)C ZINC000876548985 723798402 /nfs/dbraw/zinc/79/84/02/723798402.db2.gz FMTJDFVIYBUGFM-UHFFFAOYSA-N 1 1 250.342 1.657 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](O)CC[C@H]2C)c1 ZINC000817415515 723890916 /nfs/dbraw/zinc/89/09/16/723890916.db2.gz YDYPLHTYBWMHJO-PWSUYJOCSA-N 1 1 251.326 1.746 20 10 CDCDMO CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000843048942 724238029 /nfs/dbraw/zinc/23/80/29/724238029.db2.gz BERNZKRFZLJUPH-QGZVFWFLSA-N 1 1 288.439 1.232 20 10 CDCDMO Oc1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@@H]3C1)OCO2 ZINC000718147169 724263579 /nfs/dbraw/zinc/26/35/79/724263579.db2.gz OFWBTMMUWLPZIT-PHIMTYICSA-N 1 1 263.293 1.199 20 10 CDCDMO COc1cc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)cc1C ZINC000792710337 724265075 /nfs/dbraw/zinc/26/50/75/724265075.db2.gz OOXJVXMYBYSYFE-GASCZTMLSA-N 1 1 281.352 1.555 20 10 CDCDMO COCC[NH2+]CCN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817964470 724321673 /nfs/dbraw/zinc/32/16/73/724321673.db2.gz DVXUNRRJAUCTSY-CMPLNLGQSA-N 1 1 282.359 1.905 20 10 CDCDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(C)c(C)cc1O ZINC000846053868 724448333 /nfs/dbraw/zinc/44/83/33/724448333.db2.gz ZKNTZKZOJKIXBJ-ZIAGYGMSSA-N 1 1 265.353 1.591 20 10 CDCDMO C[C@@H]1CN(CC[N@@H+](C)Cc2ccccc2O)C[C@H](C)O1 ZINC000193400240 724457133 /nfs/dbraw/zinc/45/71/33/724457133.db2.gz FWYHVWUYZWIVFR-OKILXGFUSA-N 1 1 278.396 1.933 20 10 CDCDMO COc1ccc(O)c([C@H](C)NCC2([NH3+])CCC2)c1 ZINC000817965183 724470976 /nfs/dbraw/zinc/47/09/76/724470976.db2.gz QVJXLFDVTBFCPX-JTQLQIEISA-N 1 1 250.342 1.933 20 10 CDCDMO COc1ccc(O)c([C@H](C)[NH2+]CC2(N)CCC2)c1 ZINC000817965183 724470989 /nfs/dbraw/zinc/47/09/89/724470989.db2.gz QVJXLFDVTBFCPX-JTQLQIEISA-N 1 1 250.342 1.933 20 10 CDCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1F ZINC000824960210 724586857 /nfs/dbraw/zinc/58/68/57/724586857.db2.gz UFPIZQDOSYSLDU-CYBMUJFWSA-N 1 1 265.332 1.341 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1F ZINC000824960210 724586860 /nfs/dbraw/zinc/58/68/60/724586860.db2.gz UFPIZQDOSYSLDU-CYBMUJFWSA-N 1 1 265.332 1.341 20 10 CDCDMO COc1c(O)c(C[N@@H+](C[C@@H](C)O)C2CC2)ccc1[N+](=O)[O-] ZINC000848928767 724641931 /nfs/dbraw/zinc/64/19/31/724641931.db2.gz NGLGGYUVYDZGEQ-SECBINFHSA-N 1 1 296.323 1.654 20 10 CDCDMO CC(=O)NCC[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000842632644 724656043 /nfs/dbraw/zinc/65/60/43/724656043.db2.gz KGYXTBMMLWOKCC-UHFFFAOYSA-N 1 1 294.395 1.963 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000840937056 724710579 /nfs/dbraw/zinc/71/05/79/724710579.db2.gz FZRPFOAJUDBNIN-CYBMUJFWSA-N 1 1 275.396 1.724 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000840937056 724710583 /nfs/dbraw/zinc/71/05/83/724710583.db2.gz FZRPFOAJUDBNIN-CYBMUJFWSA-N 1 1 275.396 1.724 20 10 CDCDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000125058050 724773520 /nfs/dbraw/zinc/77/35/20/724773520.db2.gz VOWPFWTXHLMDJH-ZDUSSCGKSA-N 1 1 293.386 1.850 20 10 CDCDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](O)C2)cc1F ZINC000862212688 724784721 /nfs/dbraw/zinc/78/47/21/724784721.db2.gz UXMWFIWDXTVMJK-LLVKDONJSA-N 1 1 270.323 1.988 20 10 CDCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](O)C2)cc1F ZINC000862212688 724784724 /nfs/dbraw/zinc/78/47/24/724784724.db2.gz UXMWFIWDXTVMJK-LLVKDONJSA-N 1 1 270.323 1.988 20 10 CDCDMO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnccc1N ZINC000817942578 724787738 /nfs/dbraw/zinc/78/77/38/724787738.db2.gz PPPZVOBRVVSPPG-SJKOYZFVSA-N 1 1 299.422 1.911 20 10 CDCDMO OC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1CCCOC1 ZINC000883146515 724816937 /nfs/dbraw/zinc/81/69/37/724816937.db2.gz PDLJCBHIYLEZAQ-RNCFNFMXSA-N 1 1 287.306 1.548 20 10 CDCDMO Cc1ccc(O)c(CNC(=O)CC[NH+]2CCOCC2)c1 ZINC000862759142 723704147 /nfs/dbraw/zinc/70/41/47/723704147.db2.gz XEPOCDJUFGFFIL-UHFFFAOYSA-N 1 1 278.352 1.039 20 10 CDCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000237067158 723712045 /nfs/dbraw/zinc/71/20/45/723712045.db2.gz JDOUISNGRJPNMV-OAHLLOKOSA-N 1 1 275.396 1.802 20 10 CDCDMO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000817943314 723782224 /nfs/dbraw/zinc/78/22/24/723782224.db2.gz UHBHWXOGBUISCX-MAZHCROVSA-N 1 1 277.412 1.910 20 10 CDCDMO Oc1c(F)cc(F)cc1C[NH2+]CCOC[C@@H]1CCOC1 ZINC000882991165 723889508 /nfs/dbraw/zinc/88/95/08/723889508.db2.gz NXRVEGQCXPITFY-SNVBAGLBSA-N 1 1 287.306 1.813 20 10 CDCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(O)C3)cc2)CC1 ZINC000775734230 723934805 /nfs/dbraw/zinc/93/48/05/723934805.db2.gz MYVKIILVJXGMNQ-QGZVFWFLSA-N 1 1 289.423 1.395 20 10 CDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(O)C3)cc2)CC1 ZINC000775734230 723934814 /nfs/dbraw/zinc/93/48/14/723934814.db2.gz MYVKIILVJXGMNQ-QGZVFWFLSA-N 1 1 289.423 1.395 20 10 CDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@](C)(O)C3)cc2)CC1 ZINC000775734230 723934823 /nfs/dbraw/zinc/93/48/23/723934823.db2.gz MYVKIILVJXGMNQ-QGZVFWFLSA-N 1 1 289.423 1.395 20 10 CDCDMO C[N@H+]1C[C@@H]2CCCN(C(=O)C3=CC(=O)CS3)[C@@H]2C1 ZINC000822438831 724067558 /nfs/dbraw/zinc/06/75/58/724067558.db2.gz WGTCACWDJFBPHD-GXSJLCMTSA-N 1 1 266.366 1.620 20 10 CDCDMO Cc1cc(O)c(CNC[C@H]2C[NH2+]CCCO2)cc1C ZINC000841085546 724313854 /nfs/dbraw/zinc/31/38/54/724313854.db2.gz GROCKBJFIDBACH-CQSZACIVSA-N 1 1 264.369 1.477 20 10 CDCDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000305842873 725090916 /nfs/dbraw/zinc/09/09/16/725090916.db2.gz HNFRVFZPMQZTOP-GOEBONIOSA-N 1 1 290.407 1.726 20 10 CDCDMO COc1cc(O)c(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000843052038 725123516 /nfs/dbraw/zinc/12/35/16/725123516.db2.gz OYTSXZRJJGUCOF-NEPJUHHUSA-N 1 1 294.395 1.969 20 10 CDCDMO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708433212 725183953 /nfs/dbraw/zinc/18/39/53/725183953.db2.gz JJNUAZKEDRAQKP-AWEZNQCLSA-N 1 1 284.306 1.628 20 10 CDCDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708433212 725183958 /nfs/dbraw/zinc/18/39/58/725183958.db2.gz JJNUAZKEDRAQKP-AWEZNQCLSA-N 1 1 284.306 1.628 20 10 CDCDMO C[N@H+]1CC[C@H]2CN(C(=O)c3c(F)ccc(O)c3O)CC[C@H]21 ZINC000881440076 725284140 /nfs/dbraw/zinc/28/41/40/725284140.db2.gz SFGJXRWPVAQZAJ-GXSJLCMTSA-N 1 1 294.326 1.403 20 10 CDCDMO C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)C[C@H](C)[N@@H+]1C ZINC000841955940 725330515 /nfs/dbraw/zinc/33/05/15/725330515.db2.gz RWZYBQLSYJYOKH-BETUJISGSA-N 1 1 290.411 1.545 20 10 CDCDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000305842406 725386432 /nfs/dbraw/zinc/38/64/32/725386432.db2.gz HNFRVFZPMQZTOP-GDBMZVCRSA-N 1 1 290.407 1.726 20 10 CDCDMO COc1ccc(N(C)CC[N@H+](C)Cc2cn(C)cn2)cc1 ZINC000852210959 725390071 /nfs/dbraw/zinc/39/00/71/725390071.db2.gz CKPUGDORBZDZCC-UHFFFAOYSA-N 1 1 288.395 1.997 20 10 CDCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cn(C)cn2)cc1 ZINC000852210959 725390073 /nfs/dbraw/zinc/39/00/73/725390073.db2.gz CKPUGDORBZDZCC-UHFFFAOYSA-N 1 1 288.395 1.997 20 10 CDCDMO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000922643365 725398176 /nfs/dbraw/zinc/39/81/76/725398176.db2.gz XUXJQDJOZAKSIT-WMLDXEAASA-N 1 1 289.423 1.563 20 10 CDCDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2O)C1 ZINC000179587518 725399269 /nfs/dbraw/zinc/39/92/69/725399269.db2.gz FGNRIJCXRJWWBU-ZDUSSCGKSA-N 1 1 262.353 1.692 20 10 CDCDMO C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1[NH3+] ZINC000843053213 725406912 /nfs/dbraw/zinc/40/69/12/725406912.db2.gz ZGYXZUBKGSYPPR-ONGXEEELSA-N 1 1 264.325 1.290 20 10 CDCDMO Cc1cccc(C[N@@H+](C)CC(=O)N2CCCC2)c1O ZINC000124520418 725409190 /nfs/dbraw/zinc/40/91/90/725409190.db2.gz KVXGKHZXXOHWAP-UHFFFAOYSA-N 1 1 262.353 1.755 20 10 CDCDMO COCCNCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000841048188 725414814 /nfs/dbraw/zinc/41/48/14/725414814.db2.gz MRRSBSJNZUGVJU-UHFFFAOYSA-N 1 1 288.775 1.380 20 10 CDCDMO CCN(C)c1ccc(C[N@@H+](C)CCNC(C)=O)cc1 ZINC000830147989 725418761 /nfs/dbraw/zinc/41/87/61/725418761.db2.gz AETBFICMOWPMHH-UHFFFAOYSA-N 1 1 263.385 1.711 20 10 CDCDMO CCNC(=O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858088175 725447347 /nfs/dbraw/zinc/44/73/47/725447347.db2.gz TWKKAXIMYRRIJP-UHFFFAOYSA-N 1 1 271.311 1.257 20 10 CDCDMO c1cc2c(cc1CNC[C@@H]1C[NH2+]CCO1)CCCO2 ZINC000258890317 725540451 /nfs/dbraw/zinc/54/04/51/725540451.db2.gz KAGOSDFRIYCFGA-AWEZNQCLSA-N 1 1 262.353 1.090 20 10 CDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)C[C@H](C)O1 ZINC000844740694 725620869 /nfs/dbraw/zinc/62/08/69/725620869.db2.gz JEXWMMHAVZALMC-JSGCOSHPSA-N 1 1 293.363 1.771 20 10 CDCDMO COc1c([O-])c(CN2CC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000824572528 725708898 /nfs/dbraw/zinc/70/88/98/725708898.db2.gz ZBBNVYFWBGHRLG-VIFPVBQESA-N 1 1 270.260 1.853 20 10 CDCDMO COc1cc(O)c(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1OC ZINC000814174117 725985630 /nfs/dbraw/zinc/98/56/30/725985630.db2.gz YXQUWTFEOLJFSM-WCQYABFASA-N 1 1 292.379 1.545 20 10 CDCDMO COc1cc(O)c(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)cc1OC ZINC000814174117 725985631 /nfs/dbraw/zinc/98/56/31/725985631.db2.gz YXQUWTFEOLJFSM-WCQYABFASA-N 1 1 292.379 1.545 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)cc1OC ZINC000814174117 725985632 /nfs/dbraw/zinc/98/56/32/725985632.db2.gz YXQUWTFEOLJFSM-WCQYABFASA-N 1 1 292.379 1.545 20 10 CDCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843120699 726008149 /nfs/dbraw/zinc/00/81/49/726008149.db2.gz BQBOFKOTQNYLKM-ZDUSSCGKSA-N 1 1 295.814 1.525 20 10 CDCDMO Cc1c(O)ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)c1O ZINC001140742800 898163156 /nfs/dbraw/zinc/16/31/56/898163156.db2.gz ZTRHIXPJWAKEQL-MNOVXSKESA-N 1 1 255.289 1.311 20 10 CDCDMO C[N@H+]1CCC2(C1)CCN(C(=O)c1ccc(O)c(O)c1)CC2 ZINC001270032967 904294123 /nfs/dbraw/zinc/29/41/23/904294123.db2.gz SKKHCBQIQKKBHZ-UHFFFAOYSA-N 1 1 290.363 1.656 20 10 CDCDMO [NH3+][C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])CC[C@H]1F ZINC001206163297 911542135 /nfs/dbraw/zinc/54/21/35/911542135.db2.gz 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C[C@@H](NCC1C[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965133 727039353 /nfs/dbraw/zinc/03/93/53/727039353.db2.gz MICLMRXKAALHLD-GFCCVEGCSA-N 1 1 293.386 1.532 20 10 CDCDMO CNC(=O)CCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886515401 727064508 /nfs/dbraw/zinc/06/45/08/727064508.db2.gz BWDIYSSWDIYEDA-VIFPVBQESA-N 1 1 254.305 1.708 20 10 CDCDMO Cc1cccc(O)c1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000876653377 727088261 /nfs/dbraw/zinc/08/82/61/727088261.db2.gz YTJCLVXLIQZASL-UONOGXRCSA-N 1 1 274.364 1.944 20 10 CDCDMO C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1c(O)cccc1F ZINC000886625214 727125756 /nfs/dbraw/zinc/12/57/56/727125756.db2.gz LBSXPUWAEKVQMU-DTWKUNHWSA-N 1 1 252.289 1.318 20 10 CDCDMO COC[C@](C)(CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708394343 727132024 /nfs/dbraw/zinc/13/20/24/727132024.db2.gz XEUSANPQTINOOR-LBPRGKRZSA-N 1 1 261.268 1.157 20 10 CDCDMO CS(=O)(=O)[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000800534874 727169177 /nfs/dbraw/zinc/16/91/77/727169177.db2.gz QGTRWQRXENSUFF-JTQLQIEISA-N 1 1 273.329 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POSRHYJHQFIUBI-GHMZBOCLSA-N 1 1 278.352 1.645 20 10 CDCDMO C[C@@H]1[C@@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)CCN1C ZINC000775986192 727317256 /nfs/dbraw/zinc/31/72/56/727317256.db2.gz POSRHYJHQFIUBI-GHMZBOCLSA-N 1 1 278.352 1.645 20 10 CDCDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)CCN1C ZINC000775986192 727317259 /nfs/dbraw/zinc/31/72/59/727317259.db2.gz POSRHYJHQFIUBI-GHMZBOCLSA-N 1 1 278.352 1.645 20 10 CDCDMO CCn1nc(C)c(C[NH2+]Cc2ccc(C)cc2O)n1 ZINC000877598144 727362578 /nfs/dbraw/zinc/36/25/78/727362578.db2.gz JHJNAIVWWKGMHD-UHFFFAOYSA-N 1 1 260.341 1.910 20 10 CDCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)c(O)c1 ZINC000824959451 727374301 /nfs/dbraw/zinc/37/43/01/727374301.db2.gz HFPVOWQTGLSVDX-GFCCVEGCSA-N 1 1 264.325 1.241 20 10 CDCDMO CCc1cccc(C[NH2+]Cc2cc(C(N)=O)no2)c1O ZINC000848903082 727390881 /nfs/dbraw/zinc/39/08/81/727390881.db2.gz XWLNFTRAIRTLHL-UHFFFAOYSA-N 1 1 275.308 1.331 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000812775154 727392426 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ZINC000814177932 727486284 /nfs/dbraw/zinc/48/62/84/727486284.db2.gz VQVOSOLNCXXBJH-UHFFFAOYSA-N 1 1 266.341 1.488 20 10 CDCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](NC(C)=O)C2)cc1 ZINC000817280261 727819314 /nfs/dbraw/zinc/81/93/14/727819314.db2.gz BDLJKYOEIGOYOL-OAHLLOKOSA-N 1 1 275.396 1.853 20 10 CDCDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCc3ccc(N)cc3)C[C@@H]21 ZINC000841955555 727884859 /nfs/dbraw/zinc/88/48/59/727884859.db2.gz GMBQRWYVCQDWBI-HIFRSBDPSA-N 1 1 288.395 1.157 20 10 CDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](NC(C)=O)C2)c1 ZINC000817412867 727895445 /nfs/dbraw/zinc/89/54/45/727895445.db2.gz PUYNDOGADBJTDK-ZDUSSCGKSA-N 1 1 278.352 1.501 20 10 CDCDMO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000877466429 728032000 /nfs/dbraw/zinc/03/20/00/728032000.db2.gz JNBSPXSYSYZADU-RYUDHWBXSA-N 1 1 251.326 1.282 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN(C)OC)c1 ZINC000850479057 728072850 /nfs/dbraw/zinc/07/28/50/728072850.db2.gz KWHLAKMGGCEDQD-JTQLQIEISA-N 1 1 282.340 1.323 20 10 CDCDMO 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/nfs/dbraw/zinc/10/52/92/577105292.db2.gz SWMGQQMYNKATIC-GFCCVEGCSA-N 1 1 292.379 1.716 20 10 CDCDMO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCNC1=O ZINC000758402113 577105293 /nfs/dbraw/zinc/10/52/93/577105293.db2.gz SWMGQQMYNKATIC-GFCCVEGCSA-N 1 1 292.379 1.716 20 10 CDCDMO CC[NH+](CC)C[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000045693722 617594388 /nfs/dbraw/zinc/59/43/88/617594388.db2.gz CITCVYFLXZUNBD-NSHDSACASA-N 1 1 280.368 1.941 20 10 CDCDMO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000934572458 617659806 /nfs/dbraw/zinc/65/98/06/617659806.db2.gz LLJSQVXAAUSYRH-ZIAGYGMSSA-N 1 1 252.333 1.657 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000934572458 617659815 /nfs/dbraw/zinc/65/98/15/617659815.db2.gz LLJSQVXAAUSYRH-ZIAGYGMSSA-N 1 1 252.333 1.657 20 10 CDCDMO CCOc1cccc(C[NH2+][C@H]2CCCNC2)c1O ZINC000841043796 618677986 /nfs/dbraw/zinc/67/79/86/618677986.db2.gz WIFBJJPXZFMJLR-LBPRGKRZSA-N 1 1 250.342 1.633 20 10 CDCDMO Cc1cccc(C[N@H+]2CCSC[C@H]2CO)c1O ZINC000877780125 618706782 /nfs/dbraw/zinc/70/67/82/618706782.db2.gz KTPMPTRQWNHYSY-GFCCVEGCSA-N 1 1 253.367 1.610 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](CO)COC(C)C)c1O ZINC000894781222 619057642 /nfs/dbraw/zinc/05/76/42/619057642.db2.gz CTAZTFHTGZQVIE-AWEZNQCLSA-N 1 1 297.395 1.927 20 10 CDCDMO COC[C@]1(CO)CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894928069 619148774 /nfs/dbraw/zinc/14/87/74/619148774.db2.gz HOYLCJFDANSCIP-CQSZACIVSA-N 1 1 287.306 1.501 20 10 CDCDMO COC[C@]1(CO)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894928069 619148776 /nfs/dbraw/zinc/14/87/76/619148776.db2.gz HOYLCJFDANSCIP-CQSZACIVSA-N 1 1 287.306 1.501 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000895006948 619204987 /nfs/dbraw/zinc/20/49/87/619204987.db2.gz CZPODEXASFLLMP-LLVKDONJSA-N 1 1 288.351 1.817 20 10 CDCDMO COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c1 ZINC000895006948 619204990 /nfs/dbraw/zinc/20/49/90/619204990.db2.gz CZPODEXASFLLMP-LLVKDONJSA-N 1 1 288.351 1.817 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c1 ZINC000895006948 619204991 /nfs/dbraw/zinc/20/49/91/619204991.db2.gz CZPODEXASFLLMP-LLVKDONJSA-N 1 1 288.351 1.817 20 10 CDCDMO COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000895006948 619204992 /nfs/dbraw/zinc/20/49/92/619204992.db2.gz CZPODEXASFLLMP-LLVKDONJSA-N 1 1 288.351 1.817 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000895006948 619204993 /nfs/dbraw/zinc/20/49/93/619204993.db2.gz CZPODEXASFLLMP-LLVKDONJSA-N 1 1 288.351 1.817 20 10 CDCDMO Cc1ccc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c(O)c1 ZINC000895123566 619317702 /nfs/dbraw/zinc/31/77/02/619317702.db2.gz YMDXJKMWBXPYIQ-SDDRHHMPSA-N 1 1 262.353 1.798 20 10 CDCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cn(C)nn1 ZINC000902779102 625366307 /nfs/dbraw/zinc/36/63/07/625366307.db2.gz NRZBHKYVNLIVTH-SNVBAGLBSA-N 1 1 277.347 1.871 20 10 CDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000897683567 621071555 /nfs/dbraw/zinc/07/15/55/621071555.db2.gz DVPJXNFIGTUVAH-LRDDRELGSA-N 1 1 294.370 1.475 20 10 CDCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000907275020 627578902 /nfs/dbraw/zinc/57/89/02/627578902.db2.gz VCBBXKLWWDBTSE-NSHDSACASA-N 1 1 292.379 1.629 20 10 CDCDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910954613 629117216 /nfs/dbraw/zinc/11/72/16/629117216.db2.gz LPJCWCQNDRLLLE-GFCCVEGCSA-N 1 1 264.325 1.198 20 10 CDCDMO Cc1ccc(O)c(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000157076449 630582917 /nfs/dbraw/zinc/58/29/17/630582917.db2.gz KMOULMAKMVJMES-AWEZNQCLSA-N 1 1 295.404 1.852 20 10 CDCDMO Cc1ccc(O)c(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000157076449 630582919 /nfs/dbraw/zinc/58/29/19/630582919.db2.gz KMOULMAKMVJMES-AWEZNQCLSA-N 1 1 295.404 1.852 20 10 CDCDMO O=C1CC2(CN1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142509039 1160688961 /nfs/dbraw/zinc/68/89/61/1160688961.db2.gz UWCLNKSGTYJFBX-UHFFFAOYSA-N 1 1 296.317 1.773 20 10 CDCDMO Cc1ccc(C[NH2+]C[C@H](C)CN2CCN(C)CC2)c(O)c1 ZINC000877015887 1165960445 /nfs/dbraw/zinc/96/04/45/1165960445.db2.gz FFYTYADOOBBATN-HNNXBMFYSA-N 1 1 291.439 1.674 20 10 CDCDMO COc1ccc(C[N@@H+]2CCC[C@@H](N(C)C)C2)c(O)c1 ZINC000156073481 1178172030 /nfs/dbraw/zinc/17/20/30/1178172030.db2.gz YFJYYJWNTBFRHU-CYBMUJFWSA-N 1 1 264.369 1.927 20 10 CDCDMO COc1ccc(C[N@H+]2CCC[C@@H](N(C)C)C2)c(O)c1 ZINC000156073481 1178172036 /nfs/dbraw/zinc/17/20/36/1178172036.db2.gz YFJYYJWNTBFRHU-CYBMUJFWSA-N 1 1 264.369 1.927 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925689855 728777043 /nfs/dbraw/zinc/77/70/43/728777043.db2.gz ITUVBGJBMZRQNY-GOEBONIOSA-N 1 1 291.439 1.570 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000840914536 728837620 /nfs/dbraw/zinc/83/76/20/728837620.db2.gz ARBSSVIFVGEIKG-ZDUSSCGKSA-N 1 1 298.452 1.926 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000840914536 728837622 /nfs/dbraw/zinc/83/76/22/728837622.db2.gz ARBSSVIFVGEIKG-ZDUSSCGKSA-N 1 1 298.452 1.926 20 10 CDCDMO C[C@@H]([NH2+]CCC(=O)N(C)C)c1c(O)cccc1F ZINC000886519594 728877212 /nfs/dbraw/zinc/87/72/12/728877212.db2.gz YVABGNFUZGQRFV-SECBINFHSA-N 1 1 254.305 1.660 20 10 CDCDMO CO[C@H](C)[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939342 728877865 /nfs/dbraw/zinc/87/78/65/728877865.db2.gz BBWLIELJNBHSMN-ZOWXZIJZSA-N 1 1 265.401 1.765 20 10 CDCDMO COc1c(O)c(C[NH2+][C@@](C)(CO)C2CC2)ccc1[N+](=O)[O-] ZINC000775048622 728897712 /nfs/dbraw/zinc/89/77/12/728897712.db2.gz MHLKUUDANFZLRG-AWEZNQCLSA-N 1 1 296.323 1.560 20 10 CDCDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000812310815 728927146 /nfs/dbraw/zinc/92/71/46/728927146.db2.gz OYUQFDUTHCGRMX-SECBINFHSA-N 1 1 256.371 1.912 20 10 CDCDMO Cc1cccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC000124578706 728382356 /nfs/dbraw/zinc/38/23/56/728382356.db2.gz RQWLCAOKCUBXAQ-CYBMUJFWSA-N 1 1 260.337 1.507 20 10 CDCDMO CCOc1cccc(C[N@H+]2CC[C@@H](NC(C)=O)C2)c1O ZINC000228356347 728431206 /nfs/dbraw/zinc/43/12/06/728431206.db2.gz VDCHGXIYMQENDN-CYBMUJFWSA-N 1 1 278.352 1.501 20 10 CDCDMO Cc1cccc(O)c1C[NH2+]Cc1nc(N(C)C)no1 ZINC000877410372 728442442 /nfs/dbraw/zinc/44/24/42/728442442.db2.gz DEGWMEAZUAJMRZ-UHFFFAOYSA-N 1 1 262.313 1.439 20 10 CDCDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1O ZINC000827952551 728576608 /nfs/dbraw/zinc/57/66/08/728576608.db2.gz XEEDRGCFMJYNJR-NQBHXWOUSA-N 1 1 262.353 1.910 20 10 CDCDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(N)cc1 ZINC000830360742 729018025 /nfs/dbraw/zinc/01/80/25/729018025.db2.gz SOKULXIXVZUVLA-WFASDCNBSA-N 1 1 275.396 1.610 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1[NH3+] ZINC000843053211 729061724 /nfs/dbraw/zinc/06/17/24/729061724.db2.gz ZGYXZUBKGSYPPR-MWLCHTKSSA-N 1 1 264.325 1.290 20 10 CDCDMO C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1[NH3+] ZINC000843053211 729061728 /nfs/dbraw/zinc/06/17/28/729061728.db2.gz ZGYXZUBKGSYPPR-MWLCHTKSSA-N 1 1 264.325 1.290 20 10 CDCDMO CN(CCF)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816640819 729186076 /nfs/dbraw/zinc/18/60/76/729186076.db2.gz XTMGBNXJAUCPPB-UHFFFAOYSA-N 1 1 265.376 1.840 20 10 CDCDMO C[C@H](CN)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817966242 729221480 /nfs/dbraw/zinc/22/14/80/729221480.db2.gz JOQBGXUHCWVDMT-NEPJUHHUSA-N 1 1 281.375 1.660 20 10 CDCDMO C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H]1[NH3+] ZINC000843120311 729223181 /nfs/dbraw/zinc/22/31/81/729223181.db2.gz FDPGCLYUYXABST-RDDDGLTNSA-N 1 1 258.724 1.964 20 10 CDCDMO C[C@H](C[S@@](C)=O)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000248521330 729286548 /nfs/dbraw/zinc/28/65/48/729286548.db2.gz RKXSJIJXDDJRQR-CGMALJKESA-N 1 1 259.346 1.949 20 10 CDCDMO Oc1c(F)cc(F)cc1CNCc1nnnn1CC1CC1 ZINC000883090733 729359059 /nfs/dbraw/zinc/35/90/59/729359059.db2.gz TVPCNADNGVHHJE-UHFFFAOYSA-N 1 1 295.293 1.357 20 10 CDCDMO CN(C)c1ccc(C[N@H+](C)CN2CC(=O)N(C)C2=O)cc1 ZINC000182264145 729374451 /nfs/dbraw/zinc/37/44/51/729374451.db2.gz SVKJQMNKBOWTGE-UHFFFAOYSA-N 1 1 290.367 1.036 20 10 CDCDMO CN(C)c1ccc(C[N@@H+](C)CN2CC(=O)N(C)C2=O)cc1 ZINC000182264145 729374453 /nfs/dbraw/zinc/37/44/53/729374453.db2.gz SVKJQMNKBOWTGE-UHFFFAOYSA-N 1 1 290.367 1.036 20 10 CDCDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)O ZINC000824921535 729380002 /nfs/dbraw/zinc/38/00/02/729380002.db2.gz MTDCTGUUQWBZEK-PSASIEDQSA-N 1 1 284.312 1.558 20 10 CDCDMO OC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1O ZINC000839170579 729387158 /nfs/dbraw/zinc/38/71/58/729387158.db2.gz OLFSXHLUCVRAAD-NVXWUHKLSA-N 1 1 290.407 1.462 20 10 CDCDMO CCNCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000841034969 729390701 /nfs/dbraw/zinc/39/07/01/729390701.db2.gz FMUPFIHKCBXYRC-UHFFFAOYSA-N 1 1 277.412 1.863 20 10 CDCDMO CC[N@@H+]1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000826904107 729455464 /nfs/dbraw/zinc/45/54/64/729455464.db2.gz WEVBOIIKKAIARY-UHFFFAOYSA-N 1 1 254.355 1.622 20 10 CDCDMO CC[N@H+]1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000826904107 729455467 /nfs/dbraw/zinc/45/54/67/729455467.db2.gz 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CC[C@@H]1[C@@H](C(=O)NCc2c(O)cccc2O)CC[N@H+]1C ZINC001156885764 938428859 /nfs/dbraw/zinc/42/88/59/938428859.db2.gz NUSYCNTVSRCPSR-CMPLNLGQSA-N 1 1 278.352 1.444 20 10 CDCDMO C[N@@H+](C1CN(Cc2ccccc2O)C1)[C@@H]1CCOC1 ZINC001203556589 939693129 /nfs/dbraw/zinc/69/31/29/939693129.db2.gz UXHLDFCNYXLXIJ-CYBMUJFWSA-N 1 1 262.353 1.297 20 10 CDCDMO CN(C1C[NH+](Cc2ccccc2O)C1)[C@@H]1CCOC1 ZINC001203556589 939693130 /nfs/dbraw/zinc/69/31/30/939693130.db2.gz UXHLDFCNYXLXIJ-CYBMUJFWSA-N 1 1 262.353 1.297 20 10 CDCDMO COc1cccc(C[N@@H+]2C[C@H](F)[C@@H](OC)C2)c1O ZINC001203584684 939694342 /nfs/dbraw/zinc/69/43/42/939694342.db2.gz GMMFIPUAULLIKS-JQWIXIFHSA-N 1 1 255.289 1.570 20 10 CDCDMO COc1cccc(C[N@H+]2C[C@H](F)[C@@H](OC)C2)c1O ZINC001203584684 939694343 /nfs/dbraw/zinc/69/43/43/939694343.db2.gz GMMFIPUAULLIKS-JQWIXIFHSA-N 1 1 255.289 1.570 20 10 CDCDMO COC(=O)CO[C@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC001203601577 939695284 /nfs/dbraw/zinc/69/52/84/939695284.db2.gz BFJIHESAPSZNJK-LBPRGKRZSA-N 1 1 295.335 1.165 20 10 CDCDMO COC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2O)CC1 ZINC001203620767 939697351 /nfs/dbraw/zinc/69/73/51/939697351.db2.gz HSIPTBISCHYLBC-UHFFFAOYSA-N 1 1 294.351 1.675 20 10 CDCDMO Oc1ccc(C[NH+]2CCC(N3CCC3)CC2)c(O)c1 ZINC001204281787 939752373 /nfs/dbraw/zinc/75/23/73/939752373.db2.gz JIXWJNJJVMTVKK-UHFFFAOYSA-N 1 1 262.353 1.768 20 10 CDCDMO COc1cc(CN2CC[N@H+]3CCC[C@H]3C2)cc(O)c1O ZINC001204342030 939756974 /nfs/dbraw/zinc/75/69/74/939756974.db2.gz ITNANXIDDIUEOR-LBPRGKRZSA-N 1 1 278.352 1.386 20 10 CDCDMO COc1cc(CN2CCC[N@H+]3CCC[C@@H]3C2)cc(O)c1O ZINC001204345722 939758101 /nfs/dbraw/zinc/75/81/01/939758101.db2.gz VYAIUFFPKPKULH-CYBMUJFWSA-N 1 1 292.379 1.777 20 10 CDCDMO COc1cc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)cc(O)c1O ZINC001204351070 939759674 /nfs/dbraw/zinc/75/96/74/939759674.db2.gz MQIJCTSOTXJNSA-NEPJUHHUSA-N 1 1 291.347 1.907 20 10 CDCDMO COc1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)c(O)c1Cl ZINC001205196897 939834152 /nfs/dbraw/zinc/83/41/52/939834152.db2.gz DMPPHHAXJZOMSZ-PSASIEDQSA-N 1 1 270.760 1.976 20 10 CDCDMO [NH3+][C@@H]1C[C@@H](F)CN(Cc2c(O)cc(F)cc2F)C1 ZINC001206422141 940035834 /nfs/dbraw/zinc/03/58/34/940035834.db2.gz BXWDYGSORSZDDK-RKDXNWHRSA-N 1 1 260.259 1.542 20 10 CDCDMO COc1cc(C[N@@H+](C)CCc2noc(C)n2)c(O)cc1O ZINC001231633867 942949385 /nfs/dbraw/zinc/94/93/85/942949385.db2.gz BEMJVHNBTDETBJ-UHFFFAOYSA-N 1 1 293.323 1.472 20 10 CDCDMO COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)cc1O ZINC001231634414 942950102 /nfs/dbraw/zinc/95/01/02/942950102.db2.gz MFXOELZYBSFGOK-PHIMTYICSA-N 1 1 265.309 1.470 20 10 CDCDMO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)cc1O ZINC001231634414 942950104 /nfs/dbraw/zinc/95/01/04/942950104.db2.gz MFXOELZYBSFGOK-PHIMTYICSA-N 1 1 265.309 1.470 20 10 CDCDMO COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)c(O)cc1O ZINC001231635075 942951594 /nfs/dbraw/zinc/95/15/94/942951594.db2.gz VGTXVJAMCLUOHF-MNOVXSKESA-N 1 1 285.315 1.401 20 10 CDCDMO COc1cc(C[N@@H+](C)C2CCOCC2)c(O)cc1O ZINC001231635327 942952124 /nfs/dbraw/zinc/95/21/24/942952124.db2.gz WRSYWFFLYVCNEK-UHFFFAOYSA-N 1 1 267.325 1.717 20 10 CDCDMO Cc1cc(C)c(C[N@H+](C)CC(=O)N(C)C)c(O)c1 ZINC001231845511 943027087 /nfs/dbraw/zinc/02/70/87/943027087.db2.gz NRKYIJKKTYKZCT-UHFFFAOYSA-N 1 1 250.342 1.529 20 10 CDCDMO COc1cc(N(C)C)ccc1CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001231855360 943031838 /nfs/dbraw/zinc/03/18/38/943031838.db2.gz RIKFPIXJPXKMRU-XJKSGUPXSA-N 1 1 289.423 1.897 20 10 CDCDMO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001231855360 943031842 /nfs/dbraw/zinc/03/18/42/943031842.db2.gz RIKFPIXJPXKMRU-XJKSGUPXSA-N 1 1 289.423 1.897 20 10 CDCDMO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001231855360 943031845 /nfs/dbraw/zinc/03/18/45/943031845.db2.gz RIKFPIXJPXKMRU-XJKSGUPXSA-N 1 1 289.423 1.897 20 10 CDCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@@](C)(O)C2)cc1Cl ZINC001231866769 943037293 /nfs/dbraw/zinc/03/72/93/943037293.db2.gz DRRDELLVPRTLFV-AWEZNQCLSA-N 1 1 285.771 1.937 20 10 CDCDMO Oc1cc(O)c(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)cc1Cl ZINC001232262811 943194069 /nfs/dbraw/zinc/19/40/69/943194069.db2.gz RGDCFAPOQBIMLO-ISVAXAHUSA-N 1 1 269.728 1.972 20 10 CDCDMO CN(C)CC[N@@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232834798 943413400 /nfs/dbraw/zinc/41/34/00/943413400.db2.gz MZUOEZGTTYQWCG-UHFFFAOYSA-N 1 1 251.374 1.452 20 10 CDCDMO CN(C)c1ccc(CN(C)CC[NH+](C)C)c(O)c1 ZINC001232834798 943413402 /nfs/dbraw/zinc/41/34/02/943413402.db2.gz MZUOEZGTTYQWCG-UHFFFAOYSA-N 1 1 251.374 1.452 20 10 CDCDMO CN(C)c1ccc(C[N@@H+]2CCc3nncn3CC2)c(O)c1 ZINC001232836954 943413750 /nfs/dbraw/zinc/41/37/50/943413750.db2.gz XKNWFNJRWGAQPX-UHFFFAOYSA-N 1 1 287.367 1.108 20 10 CDCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CC[C@@H]1O ZINC001232836636 943414069 /nfs/dbraw/zinc/41/40/69/943414069.db2.gz SDWWKWPZFQSRFG-FZMZJTMJSA-N 1 1 264.369 1.661 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CC[C@H]1O ZINC001232836635 943414528 /nfs/dbraw/zinc/41/45/28/943414528.db2.gz SDWWKWPZFQSRFG-BXUZGUMPSA-N 1 1 264.369 1.661 20 10 CDCDMO C[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@]1(C)O ZINC001233010887 943461572 /nfs/dbraw/zinc/46/15/72/943461572.db2.gz WKSJYBQCDRRVMR-MEBBXXQBSA-N 1 1 281.352 1.786 20 10 CDCDMO C[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@H]1O ZINC001233011148 943462393 /nfs/dbraw/zinc/46/23/93/943462393.db2.gz ZOFNIPHPCQGWAU-GXSJLCMTSA-N 1 1 267.325 1.396 20 10 CDCDMO COC(=O)[C@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)[C@H]1C ZINC001233016508 943464820 /nfs/dbraw/zinc/46/48/20/943464820.db2.gz FZOJXKWPAARVDA-ONGXEEELSA-N 1 1 295.335 1.577 20 10 CDCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)[C@H]1C ZINC001233016508 943464823 /nfs/dbraw/zinc/46/48/23/943464823.db2.gz FZOJXKWPAARVDA-ONGXEEELSA-N 1 1 295.335 1.577 20 10 CDCDMO CO[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)[C@@H](C)C1 ZINC001233017932 943466422 /nfs/dbraw/zinc/46/64/22/943466422.db2.gz MMGUIMQBFYLMHA-GXSJLCMTSA-N 1 1 267.325 1.803 20 10 CDCDMO CN(C)C(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1O ZINC001233454167 943588662 /nfs/dbraw/zinc/58/86/62/943588662.db2.gz JFDRRBCAZFHFCK-UHFFFAOYSA-N 1 1 290.285 1.931 20 10 CDCDMO CN(C)C(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1O ZINC001233454167 943588666 /nfs/dbraw/zinc/58/86/66/943588666.db2.gz JFDRRBCAZFHFCK-UHFFFAOYSA-N 1 1 290.285 1.931 20 10 CDCDMO Oc1cc(O)c(C[N@@H+]2CCc3ccncc3C2)cc1O ZINC001233485997 943594448 /nfs/dbraw/zinc/59/44/48/943594448.db2.gz TWROFLGXFDGPGJ-UHFFFAOYSA-N 1 1 272.304 1.757 20 10 CDCDMO Oc1cc(O)c(C[N@H+]2CCc3ccncc3C2)cc1O ZINC001233485997 943594453 /nfs/dbraw/zinc/59/44/53/943594453.db2.gz TWROFLGXFDGPGJ-UHFFFAOYSA-N 1 1 272.304 1.757 20 10 CDCDMO C[N@H+]1CCC[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233486893 943595548 /nfs/dbraw/zinc/59/55/48/943595548.db2.gz HJNSFQJMEMVNGV-JQWIXIFHSA-N 1 1 278.352 1.329 20 10 CDCDMO CN1CCC[C@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233486893 943595553 /nfs/dbraw/zinc/59/55/53/943595553.db2.gz HJNSFQJMEMVNGV-JQWIXIFHSA-N 1 1 278.352 1.329 20 10 CDCDMO CN1CCC[C@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233486893 943595560 /nfs/dbraw/zinc/59/55/60/943595560.db2.gz HJNSFQJMEMVNGV-JQWIXIFHSA-N 1 1 278.352 1.329 20 10 CDCDMO Oc1c(CN2CCN[C@@]3(CC[NH2+]C3)C2)ccc2ccccc21 ZINC001235060576 944034456 /nfs/dbraw/zinc/03/44/56/944034456.db2.gz GNYYYULHINTJOK-GOSISDBHSA-N 1 1 297.402 1.683 20 10 CDCDMO CC(C)(C)c1ccc(C[NH+]2CCN(C(N)=O)CC2)c(O)c1 ZINC001235683435 944245021 /nfs/dbraw/zinc/24/50/21/944245021.db2.gz GEELHUWBYQSAPE-UHFFFAOYSA-N 1 1 291.395 1.886 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H](O)C2)cc1OC ZINC001236750324 944558202 /nfs/dbraw/zinc/55/82/02/944558202.db2.gz QYZXOESMIQQJAM-ZWNOBZJWSA-N 1 1 281.352 1.612 20 10 CDCDMO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)cc1OC ZINC001236751784 944559009 /nfs/dbraw/zinc/55/90/09/944559009.db2.gz JMIJLYNZJBWNQX-PHIMTYICSA-N 1 1 291.347 1.820 20 10 CDCDMO CCNC(=O)C[N@@H+](C)Cc1ccc(CC)cc1O ZINC001236783537 944566261 /nfs/dbraw/zinc/56/62/61/944566261.db2.gz LSBCRNPOEXLWTD-UHFFFAOYSA-N 1 1 250.342 1.523 20 10 CDCDMO CCc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c(O)c1 ZINC001236793700 944570842 /nfs/dbraw/zinc/57/08/42/944570842.db2.gz DZVSFSMVEHGXNR-MRXNPFEDSA-N 1 1 290.407 1.861 20 10 CDCDMO CCc1ccc(C[N@@H+]2CCOC[C@@H]2CC(=O)OC)c(O)c1 ZINC001236792846 944571608 /nfs/dbraw/zinc/57/16/08/944571608.db2.gz SEIVBUZYOGYTOJ-AWEZNQCLSA-N 1 1 293.363 1.719 20 10 CDCDMO CCc1ccc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)c(O)c1 ZINC001236792846 944571613 /nfs/dbraw/zinc/57/16/13/944571613.db2.gz SEIVBUZYOGYTOJ-AWEZNQCLSA-N 1 1 293.363 1.719 20 10 CDCDMO COc1cc(C)c(C[N@H+]2CC[C@]3(CCNC3=O)C2)c(O)c1 ZINC001236808117 944575278 /nfs/dbraw/zinc/57/52/78/944575278.db2.gz MRRJUKDBBDQCPQ-MRXNPFEDSA-N 1 1 290.363 1.421 20 10 CDCDMO CCOc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001237037869 944642904 /nfs/dbraw/zinc/64/29/04/944642904.db2.gz AAMHTLPTFVVQJH-OCCSQVGLSA-N 1 1 269.316 1.696 20 10 CDCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC001237681724 944924494 /nfs/dbraw/zinc/92/44/94/944924494.db2.gz PYWUZLXBVQRGDR-JQWIXIFHSA-N 1 1 271.744 1.139 20 10 CDCDMO COC(=O)Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c(O)c1 ZINC001249214161 949461077 /nfs/dbraw/zinc/46/10/77/949461077.db2.gz FLLNOFGPAVJKQF-VXGBXAGGSA-N 1 1 293.363 1.717 20 10 CDCDMO COC(=O)Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001249214718 949462173 /nfs/dbraw/zinc/46/21/73/949462173.db2.gz RLKGOIFPYHSDQG-GXTWGEPZSA-N 1 1 277.320 1.081 20 10 CDCDMO COC(=O)Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001249214718 949462185 /nfs/dbraw/zinc/46/21/85/949462185.db2.gz RLKGOIFPYHSDQG-GXTWGEPZSA-N 1 1 277.320 1.081 20 10 CDCDMO CCCCOC[C@H](O)C[N@H+]1CCc2cccc(O)c2C1 ZINC001252516974 951401327 /nfs/dbraw/zinc/40/13/27/951401327.db2.gz WJVNOZAIBYHPQW-CQSZACIVSA-N 1 1 279.380 1.928 20 10 CDCDMO C[C@@H](NC[C@H](O)C[NH2+]C(C)(C)C)c1ccccc1O ZINC001253406342 951889131 /nfs/dbraw/zinc/88/91/31/951889131.db2.gz HSXMBDSGZFTKFN-NEPJUHHUSA-N 1 1 266.385 1.792 20 10 CDCDMO C[C@H](NC[C@H](O)C[NH2+]C(C)(C)C)c1ccccc1O ZINC001253406343 951889380 /nfs/dbraw/zinc/88/93/80/951889380.db2.gz HSXMBDSGZFTKFN-RYUDHWBXSA-N 1 1 266.385 1.792 20 10 CDCDMO C[C@H]1COCCN1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC001331287263 956947518 /nfs/dbraw/zinc/94/75/18/956947518.db2.gz BWUOVIIKAODOPY-JTQLQIEISA-N 1 1 286.322 1.481 20 10 CDCDMO C[C@@H]1COCCN1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC001331287265 956948102 /nfs/dbraw/zinc/94/81/02/956948102.db2.gz BWUOVIIKAODOPY-SNVBAGLBSA-N 1 1 286.322 1.481 20 10 CDCDMO C[N@@H+](CCNC(=O)NCc1ccc(N)cc1)C1CCCC1 ZINC001336974903 960798209 /nfs/dbraw/zinc/79/82/09/960798209.db2.gz DYCAHTBFRLZQGI-UHFFFAOYSA-N 1 1 290.411 1.942 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](C)CC2(O)CCOCC2)c1O ZINC001338262406 961718387 /nfs/dbraw/zinc/71/83/87/961718387.db2.gz HCYVMIRYJRSVMV-UHFFFAOYSA-N 1 1 295.379 1.683 20 10 CDCDMO C[NH+](C)Cc1cc(C(=O)NCc2ccc(O)cc2O)no1 ZINC001339583349 962433888 /nfs/dbraw/zinc/43/38/88/962433888.db2.gz DRBQNISQZFJSEG-UHFFFAOYSA-N 1 1 291.307 1.077 20 10 CDCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000180567610 357276611 /nfs/dbraw/zinc/27/66/11/357276611.db2.gz VNNFNUQIAXOWTP-OAHLLOKOSA-N 1 1 279.336 1.786 20 10 CDCDMO CN(C)c1ccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839702 538892130 /nfs/dbraw/zinc/89/21/30/538892130.db2.gz MHUDNJVWODOPHY-SJORKVTESA-N 1 1 289.423 1.705 20 10 CDCDMO CN(C)c1ccc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839702 538892132 /nfs/dbraw/zinc/89/21/32/538892132.db2.gz MHUDNJVWODOPHY-SJORKVTESA-N 1 1 289.423 1.705 20 10 CDCDMO COC[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H](C)O1 ZINC000188374806 357887817 /nfs/dbraw/zinc/88/78/17/357887817.db2.gz OQBJJTNQMPGVSP-ZWNOBZJWSA-N 1 1 269.316 1.767 20 10 CDCDMO COC[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H](C)O1 ZINC000188374806 357887824 /nfs/dbraw/zinc/88/78/24/357887824.db2.gz OQBJJTNQMPGVSP-ZWNOBZJWSA-N 1 1 269.316 1.767 20 10 CDCDMO Cc1[nH+]cn(CC(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000269680007 364296596 /nfs/dbraw/zinc/29/65/96/364296596.db2.gz ZPFGRDLRNMCSTR-UHFFFAOYSA-N 1 1 286.379 1.882 20 10 CDCDMO 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736598126 /nfs/dbraw/zinc/59/81/26/736598126.db2.gz PRDVNVNGESMKAV-CYBMUJFWSA-N 1 1 257.280 1.921 20 10 CDCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ncnn1C ZINC000922045873 736765422 /nfs/dbraw/zinc/76/54/22/736765422.db2.gz JSTBQIFMGIKMDO-LLVKDONJSA-N 1 1 272.352 1.991 20 10 CDCDMO CC(C)[N@@H+](C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000825683452 736708591 /nfs/dbraw/zinc/70/85/91/736708591.db2.gz OKPKPFPDHIVGFJ-UHFFFAOYSA-N 1 1 270.304 1.307 20 10 CDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](NC(C)=O)C2)c1 ZINC000817412866 736839292 /nfs/dbraw/zinc/83/92/92/736839292.db2.gz PUYNDOGADBJTDK-CYBMUJFWSA-N 1 1 278.352 1.501 20 10 CDCDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(F)cc(F)c1O ZINC000790743431 736839904 /nfs/dbraw/zinc/83/99/04/736839904.db2.gz VRBOIMBYSCLNBB-SFYZADRCSA-N 1 1 272.295 1.798 20 10 CDCDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000883077451 736906913 /nfs/dbraw/zinc/90/69/13/736906913.db2.gz KRHFNJZQOFRKQZ-OAHLLOKOSA-N 1 1 290.411 1.646 20 10 CDCDMO 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/nfs/dbraw/zinc/46/41/98/740464198.db2.gz JBVBWVNWXRXLKI-AWEZNQCLSA-N 1 1 267.369 1.918 20 10 CDCDMO COc1ccc(N(C)CC[N@@H+](C)CCC(=O)N(C)C)cc1 ZINC000844400302 740480348 /nfs/dbraw/zinc/48/03/48/740480348.db2.gz ZTGUQAYHSPJTSA-UHFFFAOYSA-N 1 1 293.411 1.542 20 10 CDCDMO Oc1c(Br)cccc1CN1CC[NH2+]CC1 ZINC000096886589 740507257 /nfs/dbraw/zinc/50/72/57/740507257.db2.gz BCPSGXRDUAIGCD-UHFFFAOYSA-N 1 1 271.158 1.560 20 10 CDCDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(O)c1O ZINC000790911702 740662609 /nfs/dbraw/zinc/66/26/09/740662609.db2.gz KOAADBNDQHLVJN-VHSXEESVSA-N 1 1 264.325 1.262 20 10 CDCDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc(O)c1O ZINC000790911702 740662615 /nfs/dbraw/zinc/66/26/15/740662615.db2.gz KOAADBNDQHLVJN-VHSXEESVSA-N 1 1 264.325 1.262 20 10 CDCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCN1CCC1 ZINC000816558353 740820911 /nfs/dbraw/zinc/82/09/11/740820911.db2.gz VESWQFBAITWTPY-UHFFFAOYSA-N 1 1 258.724 1.980 20 10 CDCDMO CCc1cccc(C[NH2+]CCCN2CCN(C)CC2)c1O ZINC000848900932 740824071 /nfs/dbraw/zinc/82/40/71/740824071.db2.gz RIFPJLRVNJTTJO-UHFFFAOYSA-N 1 1 291.439 1.682 20 10 CDCDMO CCC[N@H+]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000851665051 740843712 /nfs/dbraw/zinc/84/37/12/740843712.db2.gz PEMAHCDLTRNHJV-HNNXBMFYSA-N 1 1 290.411 1.595 20 10 CDCDMO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1c(O)cccc1F ZINC000886521383 740847176 /nfs/dbraw/zinc/84/71/76/740847176.db2.gz ZRPZVLOHPYWCSP-IUCAKERBSA-N 1 1 252.289 1.413 20 10 CDCDMO O=C(C[NH2+]Cc1c(O)ccc(Cl)c1F)NCC(F)F ZINC000795593510 740938372 /nfs/dbraw/zinc/93/83/72/740938372.db2.gz COWQHIHVLFXJGY-UHFFFAOYSA-N 1 1 296.676 1.656 20 10 CDCDMO CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1cc(OC)ccc1O ZINC000846843443 741164815 /nfs/dbraw/zinc/16/48/15/741164815.db2.gz CMWMBOHDCOTSCW-VXGBXAGGSA-N 1 1 282.384 1.364 20 10 CDCDMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876580082 741180049 /nfs/dbraw/zinc/18/00/49/741180049.db2.gz DWVMHOYAOHZAIX-CYBMUJFWSA-N 1 1 262.353 1.801 20 10 CDCDMO CCn1ncnc1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000793344725 741205274 /nfs/dbraw/zinc/20/52/74/741205274.db2.gz VSJDCMBPDYGQRL-UHFFFAOYSA-N 1 1 260.341 1.905 20 10 CDCDMO CS(=O)(=O)CCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790959647 741363909 /nfs/dbraw/zinc/36/39/09/741363909.db2.gz KJDZALUHFQPYDL-UHFFFAOYSA-N 1 1 295.763 1.709 20 10 CDCDMO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000876742485 741364389 /nfs/dbraw/zinc/36/43/89/741364389.db2.gz PWDGDWWCYFEMCM-AWEZNQCLSA-N 1 1 278.352 1.038 20 10 CDCDMO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000876742485 741364392 /nfs/dbraw/zinc/36/43/92/741364392.db2.gz PWDGDWWCYFEMCM-AWEZNQCLSA-N 1 1 278.352 1.038 20 10 CDCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)cc1F ZINC000862428996 741391150 /nfs/dbraw/zinc/39/11/50/741391150.db2.gz ZFPTZVUWTAFKQM-ZDUSSCGKSA-N 1 1 293.386 1.944 20 10 CDCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CCC(=O)O2)cc1 ZINC000852211529 741440037 /nfs/dbraw/zinc/44/00/37/741440037.db2.gz MJUIAYWBINCTRY-OAHLLOKOSA-N 1 1 292.379 1.769 20 10 CDCDMO O=C1N[C@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@@H]2CO1 ZINC000281319671 741845860 /nfs/dbraw/zinc/84/58/60/741845860.db2.gz RAVHSSNPEMDPTG-SKDRFNHKSA-N 1 1 280.299 1.462 20 10 CDCDMO COc1ccc(O)c(CNCCC[NH2+]C2CC2)c1 ZINC000841093867 741870864 /nfs/dbraw/zinc/87/08/64/741870864.db2.gz VHYXDURWHDUART-UHFFFAOYSA-N 1 1 250.342 1.633 20 10 CDCDMO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1ccc(N(C)C)cc1 ZINC000786785596 741877352 /nfs/dbraw/zinc/87/73/52/741877352.db2.gz PACKCUCZPDTVME-MNOVXSKESA-N 1 1 274.372 1.688 20 10 CDCDMO Cc1cc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)ccc1N(C)C ZINC000878982273 741883006 /nfs/dbraw/zinc/88/30/06/741883006.db2.gz YPTJDKUVAWXTSM-HOCLYGCPSA-N 1 1 278.396 1.379 20 10 CDCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnn(C)n1 ZINC000924573676 741950469 /nfs/dbraw/zinc/95/04/69/741950469.db2.gz JOQWGMVMNLPWMO-LLVKDONJSA-N 1 1 259.357 1.732 20 10 CDCDMO COc1cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c(O)cc1C ZINC000840174847 742028120 /nfs/dbraw/zinc/02/81/20/742028120.db2.gz OLLXIFNVYVVZJZ-LBPRGKRZSA-N 1 1 292.379 1.619 20 10 CDCDMO CCc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC)c1O ZINC000848886679 742319187 /nfs/dbraw/zinc/31/91/87/742319187.db2.gz VMCVDVDLBWVYSD-ZDUSSCGKSA-N 1 1 262.353 1.665 20 10 CDCDMO CCc1cccc(C[N@H+]2CCNC(=O)[C@@H]2CC)c1O ZINC000848886679 742319195 /nfs/dbraw/zinc/31/91/95/742319195.db2.gz VMCVDVDLBWVYSD-ZDUSSCGKSA-N 1 1 262.353 1.665 20 10 CDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]3OCC[C@@H]3C1)OCO2 ZINC000724813442 739357715 /nfs/dbraw/zinc/35/77/15/739357715.db2.gz CALHUABVECFQAF-MFKMUULPSA-N 1 1 277.320 1.732 20 10 CDCDMO CC[C@]1(O)CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000779218552 739375616 /nfs/dbraw/zinc/37/56/16/739375616.db2.gz GTRBAELMAYVVAJ-AWEZNQCLSA-N 1 1 251.326 1.748 20 10 CDCDMO O=S1(=O)CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708558870 739562399 /nfs/dbraw/zinc/56/23/99/739562399.db2.gz MEFWVWFDFZUPKR-QMMMGPOBSA-N 1 1 291.319 1.195 20 10 CDCDMO CCc1cccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c1O ZINC000706239461 739799787 /nfs/dbraw/zinc/79/97/87/739799787.db2.gz XKNPOBCVQNXVJK-GASCZTMLSA-N 1 1 260.381 1.948 20 10 CDCDMO CCc1cccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c1O ZINC000706239461 739799793 /nfs/dbraw/zinc/79/97/93/739799793.db2.gz XKNPOBCVQNXVJK-GASCZTMLSA-N 1 1 260.381 1.948 20 10 CDCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@@H]2COCCO2)cc1 ZINC000852496203 739905737 /nfs/dbraw/zinc/90/57/37/739905737.db2.gz PYFGQVLSXJEOGL-MRXNPFEDSA-N 1 1 278.396 1.990 20 10 CDCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)C(=O)N(C)C ZINC000886549254 740014756 /nfs/dbraw/zinc/01/47/56/740014756.db2.gz FCWVUVGMHWTHOM-DTWKUNHWSA-N 1 1 254.305 1.659 20 10 CDCDMO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1c(O)cccc1F ZINC000886588037 740212629 /nfs/dbraw/zinc/21/26/29/740212629.db2.gz KCGLEFOZGAGARF-VIFPVBQESA-N 1 1 292.314 1.335 20 10 CDCDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(N)cc1 ZINC000841296698 740277374 /nfs/dbraw/zinc/27/73/74/740277374.db2.gz XIDJCTOIEBJDPJ-UHFFFAOYSA-N 1 1 262.357 1.827 20 10 CDCDMO C[C@@]1(C[NH3+])CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843117380 740597104 /nfs/dbraw/zinc/59/71/04/740597104.db2.gz PCFPGQHWLZIZGX-AWEZNQCLSA-N 1 1 264.325 1.292 20 10 CDCDMO Cc1[nH+]ccn1CC(=O)NCc1ccc(N(C)C)cc1C ZINC000837424337 741408577 /nfs/dbraw/zinc/40/85/77/741408577.db2.gz RSSSAUVWNLYUNR-UHFFFAOYSA-N 1 1 286.379 1.882 20 10 CDCDMO OCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000305737388 741495228 /nfs/dbraw/zinc/49/52/28/741495228.db2.gz URWUHMYRXQLSEW-UHFFFAOYSA-N 1 1 294.370 1.619 20 10 CDCDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000136827687 741582456 /nfs/dbraw/zinc/58/24/56/741582456.db2.gz BSBHCBFVARJZNG-MNOVXSKESA-N 1 1 279.336 1.714 20 10 CDCDMO CCOc1ccc(CNCC2([NH3+])CCC2)c(O)c1 ZINC000841050881 741721096 /nfs/dbraw/zinc/72/10/96/741721096.db2.gz JQYCAMQHMFCZHI-UHFFFAOYSA-N 1 1 250.342 1.762 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c1 ZINC000857061175 741865377 /nfs/dbraw/zinc/86/53/77/741865377.db2.gz LEVNLAQBPFFZBE-YPMHNXCESA-N 1 1 265.353 1.851 20 10 CDCDMO C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)CC[N@H+]1C ZINC000826076681 742578060 /nfs/dbraw/zinc/57/80/60/742578060.db2.gz IZXRSAKATKTNOO-RKDXNWHRSA-N 1 1 282.315 1.449 20 10 CDCDMO COc1cccc(C[NH+]2CCN(C(=O)N(C)C)CC2)c1O ZINC000133617422 742832257 /nfs/dbraw/zinc/83/22/57/742832257.db2.gz GOXQJFPKKWGIHZ-UHFFFAOYSA-N 1 1 293.367 1.200 20 10 CDCDMO C[C@H](Cc1cnc[nH]1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000847296339 742834735 /nfs/dbraw/zinc/83/47/35/742834735.db2.gz FLCVHWGLVBDCEH-GFCCVEGCSA-N 1 1 286.379 1.971 20 10 CDCDMO Cc1[nH+]ccn1CCNC(=O)NCc1ccc(N)cc1 ZINC001356609976 1167508686 /nfs/dbraw/zinc/50/86/86/1167508686.db2.gz WDYKHRPRDITKIX-UHFFFAOYSA-N 1 1 273.340 1.273 20 10 CDCDMO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140742632 898161201 /nfs/dbraw/zinc/16/12/01/898161201.db2.gz SUDHOVRSDHFPAO-AWEZNQCLSA-N 1 1 283.299 1.493 20 10 CDCDMO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140742632 898161205 /nfs/dbraw/zinc/16/12/05/898161205.db2.gz SUDHOVRSDHFPAO-AWEZNQCLSA-N 1 1 283.299 1.493 20 10 CDCDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c(O)c1O ZINC000780916297 899741190 /nfs/dbraw/zinc/74/11/90/899741190.db2.gz VCRMYRKNITVTON-LBPRGKRZSA-N 1 1 292.379 1.866 20 10 CDCDMO CN(C)c1ccc(/C=C/C(=O)N2CC3(C2)CC[N@@H+](C)C3)cc1 ZINC001270933789 905461908 /nfs/dbraw/zinc/46/19/08/905461908.db2.gz XFSDCWNROMTIJL-RMKNXTFCSA-N 1 1 299.418 1.930 20 10 CDCDMO C[N@H+](CCC1OCCO1)Cc1cccc(F)c1O ZINC001138128328 936475844 /nfs/dbraw/zinc/47/58/44/936475844.db2.gz DAVTUVKICWHSDE-UHFFFAOYSA-N 1 1 255.289 1.726 20 10 CDCDMO C[N@@H+](CCC1OCCO1)Cc1cccc(F)c1O ZINC001138128328 936475845 /nfs/dbraw/zinc/47/58/45/936475845.db2.gz DAVTUVKICWHSDE-UHFFFAOYSA-N 1 1 255.289 1.726 20 10 CDCDMO CN1CCCc2cc(C[N@H+]3CC[C@H](O)[C@@H](CO)C3)ccc21 ZINC001138354546 936525432 /nfs/dbraw/zinc/52/54/32/936525432.db2.gz MZGSFUGYQFUDAT-WBVHZDCISA-N 1 1 290.407 1.244 20 10 CDCDMO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001205228717 919213514 /nfs/dbraw/zinc/21/35/14/919213514.db2.gz IHEGKODETMRQGR-AWEZNQCLSA-N 1 1 286.322 1.346 20 10 CDCDMO COc1cc(CN2CC[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139253010 936611968 /nfs/dbraw/zinc/61/19/68/936611968.db2.gz INCZZCDYBODVAZ-CYBMUJFWSA-N 1 1 280.368 1.029 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CCC(=O)[C@@H](F)CC2)c1 ZINC001203670322 920703955 /nfs/dbraw/zinc/70/39/55/920703955.db2.gz NVVLZVLJRQLVBM-LBPRGKRZSA-N 1 1 267.300 1.904 20 10 CDCDMO COc1ccc(O)c(C[N@@H+]2CCC(=O)[C@@H](F)CC2)c1 ZINC001203670322 920703964 /nfs/dbraw/zinc/70/39/64/920703964.db2.gz NVVLZVLJRQLVBM-LBPRGKRZSA-N 1 1 267.300 1.904 20 10 CDCDMO Cc1ccc(C)c(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1O ZINC001140178846 936684379 /nfs/dbraw/zinc/68/43/79/936684379.db2.gz ZQUNMCXXXXFGTC-RYUDHWBXSA-N 1 1 253.317 1.914 20 10 CDCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001140338111 936702895 /nfs/dbraw/zinc/70/28/95/936702895.db2.gz VQRHJSQMDQIRQY-JQWIXIFHSA-N 1 1 259.708 1.950 20 10 CDCDMO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC001140624122 936732650 /nfs/dbraw/zinc/73/26/50/936732650.db2.gz HHDPRPFYBPFAJF-CQSZACIVSA-N 1 1 292.379 1.428 20 10 CDCDMO Cc1c(O)ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC001140741977 936748013 /nfs/dbraw/zinc/74/80/13/936748013.db2.gz GDTJTCSYZLXBIS-AWEZNQCLSA-N 1 1 292.379 1.313 20 10 CDCDMO CCN(CC)c1ccc(C[NH+]2CC(O)C2)c(O)c1 ZINC001140850313 936764235 /nfs/dbraw/zinc/76/42/35/936764235.db2.gz IRQBWDQSMLZJEX-UHFFFAOYSA-N 1 1 250.342 1.415 20 10 CDCDMO COc1cc(O)c(CN2CC[N@@H+](C)C(C)(C)C2)c(OC)c1 ZINC001141029177 936795007 /nfs/dbraw/zinc/79/50/07/936795007.db2.gz LEYGVBHEXGVPEG-UHFFFAOYSA-N 1 1 294.395 1.935 20 10 CDCDMO COc1cc(O)c(C[N@@H+]2CCN(C)C(C)(C)C2)c(OC)c1 ZINC001141029177 936795008 /nfs/dbraw/zinc/79/50/08/936795008.db2.gz LEYGVBHEXGVPEG-UHFFFAOYSA-N 1 1 294.395 1.935 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CCN(C)C(C)(C)C2)c(OC)c1 ZINC001141029177 936795011 /nfs/dbraw/zinc/79/50/11/936795011.db2.gz LEYGVBHEXGVPEG-UHFFFAOYSA-N 1 1 294.395 1.935 20 10 CDCDMO CN1CCOc2cc(C[N@H+]3C[C@@H]4CCO[C@@H]4C3)ccc21 ZINC001141144322 936819540 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ZINC000895008233 619205566 /nfs/dbraw/zinc/20/55/66/619205566.db2.gz UFZVJGFFCVZUNI-NSHDSACASA-N 1 1 288.351 1.817 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000895008233 619205569 /nfs/dbraw/zinc/20/55/69/619205569.db2.gz UFZVJGFFCVZUNI-NSHDSACASA-N 1 1 288.351 1.817 20 10 CDCDMO COc1cccc(O)c1C[N@@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000895008233 619205571 /nfs/dbraw/zinc/20/55/71/619205571.db2.gz UFZVJGFFCVZUNI-NSHDSACASA-N 1 1 288.351 1.817 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000895008233 619205572 /nfs/dbraw/zinc/20/55/72/619205572.db2.gz UFZVJGFFCVZUNI-NSHDSACASA-N 1 1 288.351 1.817 20 10 CDCDMO CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c(O)c1 ZINC000897683773 621072044 /nfs/dbraw/zinc/07/20/44/621072044.db2.gz GSFIXDFUNKRKEH-IINYFYTJSA-N 1 1 251.326 1.604 20 10 CDCDMO COc1cc(Cl)cc(CNC2CC([NH3+])C2)c1O ZINC000906510115 627297434 /nfs/dbraw/zinc/29/74/34/627297434.db2.gz NBCBKNRQWQZURG-UHFFFAOYSA-N 1 1 256.733 1.634 20 10 CDCDMO CN1CC[C@@]2(CC[N@@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001272386173 1161083137 /nfs/dbraw/zinc/08/31/37/1161083137.db2.gz BEABKXCHURRSRK-HNNXBMFYSA-N 1 1 276.336 1.152 20 10 CDCDMO OC[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000271155939 1183713305 /nfs/dbraw/zinc/71/33/05/1183713305.db2.gz CWZUIMVHQRJNIB-CYBMUJFWSA-N 1 1 273.332 1.739 20 10 CDCDMO C[C@H](O)C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000848928204 751498905 /nfs/dbraw/zinc/49/89/05/751498905.db2.gz AUICNNMOPDORPA-AWEZNQCLSA-N 1 1 290.407 1.868 20 10 CDCDMO CCOCCOC1C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877164850 753710607 /nfs/dbraw/zinc/71/06/07/753710607.db2.gz DMSKDQVXAQWUPZ-UHFFFAOYSA-N 1 1 265.353 1.938 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000779202196 751609230 /nfs/dbraw/zinc/60/92/30/751609230.db2.gz LFAFFQRVRUFHEI-GFCCVEGCSA-N 1 1 251.326 1.748 20 10 CDCDMO C[S@](=O)CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000309716948 751784809 /nfs/dbraw/zinc/78/48/09/751784809.db2.gz UGDOCMDDVMXCHG-INIZCTEOSA-N 1 1 265.737 1.653 20 10 CDCDMO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000817943316 751822782 /nfs/dbraw/zinc/82/27/82/751822782.db2.gz UHBHWXOGBUISCX-VBNZEHGJSA-N 1 1 277.412 1.910 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C/C=C\CO)c1 ZINC000850507453 751828847 /nfs/dbraw/zinc/82/88/47/751828847.db2.gz GSIIEDCRKGWGMC-XOULXFPDSA-N 1 1 265.309 1.378 20 10 CDCDMO C[NH2+][C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000843044515 752118957 /nfs/dbraw/zinc/11/89/57/752118957.db2.gz FRMZNZAYCHAKIJ-MRVPVSSYSA-N 1 1 258.724 1.978 20 10 CDCDMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109770062 749383684 /nfs/dbraw/zinc/38/36/84/749383684.db2.gz QMTBCUTZOPJYQU-SNVBAGLBSA-N 1 1 279.340 1.058 20 10 CDCDMO COc1cccc([C@H](C)[NH2+]CCc2n[nH]c(C)n2)c1O ZINC000846162873 749869593 /nfs/dbraw/zinc/86/95/93/749869593.db2.gz NLLOZKTZPUDJKD-VIFPVBQESA-N 1 1 276.340 1.721 20 10 CDCDMO COc1cccc([C@H](C)[NH2+]CCc2nnc(C)[nH]2)c1O ZINC000846162873 749869595 /nfs/dbraw/zinc/86/95/95/749869595.db2.gz NLLOZKTZPUDJKD-VIFPVBQESA-N 1 1 276.340 1.721 20 10 CDCDMO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)CC2 ZINC000882961422 749912076 /nfs/dbraw/zinc/91/20/76/749912076.db2.gz NCUAMEUXKYQTLD-NSHDSACASA-N 1 1 294.305 1.675 20 10 CDCDMO CN(Cc1ccc(N2CCOCC2)c(F)c1)C1CC([NH3+])C1 ZINC000843125042 749996050 /nfs/dbraw/zinc/99/60/50/749996050.db2.gz MAPYNQZHEVGALV-UHFFFAOYSA-N 1 1 293.386 1.584 20 10 CDCDMO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)c1 ZINC000185391984 750186503 /nfs/dbraw/zinc/18/65/03/750186503.db2.gz KZVVIQTWJRVYIQ-GJZGRUSLSA-N 1 1 291.439 1.987 20 10 CDCDMO C[N@H+]1CC[C@@H]2CN(Cc3cc(F)ccc3O)C[C@@H]21 ZINC000824893196 750235780 /nfs/dbraw/zinc/23/57/80/750235780.db2.gz NFXVNDWEMQKCIG-MFKMUULPSA-N 1 1 250.317 1.667 20 10 CDCDMO CN1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]21 ZINC000824893196 750235787 /nfs/dbraw/zinc/23/57/87/750235787.db2.gz NFXVNDWEMQKCIG-MFKMUULPSA-N 1 1 250.317 1.667 20 10 CDCDMO CN1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]21 ZINC000824893196 750235791 /nfs/dbraw/zinc/23/57/91/750235791.db2.gz NFXVNDWEMQKCIG-MFKMUULPSA-N 1 1 250.317 1.667 20 10 CDCDMO CCOc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1O ZINC000180851479 750343886 /nfs/dbraw/zinc/34/38/86/750343886.db2.gz YLSPQQVSTZXOFB-VXGBXAGGSA-N 1 1 265.353 1.994 20 10 CDCDMO CC[N@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 ZINC000804381487 750354172 /nfs/dbraw/zinc/35/41/72/750354172.db2.gz OPDCBJXEZLQYLS-HOSRBBHYSA-N 1 1 290.363 1.664 20 10 CDCDMO COc1cccc(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c1O ZINC000092101331 750574283 /nfs/dbraw/zinc/57/42/83/750574283.db2.gz GHNVIBXVASYZTH-CYBMUJFWSA-N 1 1 292.379 1.701 20 10 CDCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783737015 750809659 /nfs/dbraw/zinc/80/96/59/750809659.db2.gz XYYVJVAPGLEEFH-DOMZBBRYSA-N 1 1 263.337 1.605 20 10 CDCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1 ZINC000840178227 750821277 /nfs/dbraw/zinc/82/12/77/750821277.db2.gz NCYIOLJMQLVWSO-CYBMUJFWSA-N 1 1 276.380 1.919 20 10 CDCDMO CCn1cnnc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846140181 750838178 /nfs/dbraw/zinc/83/81/78/750838178.db2.gz IFUNUNIFGDZRFE-JTQLQIEISA-N 1 1 276.340 1.863 20 10 CDCDMO Cc1cccc(O)c1C[NH+]1CCN(C[C@H]2CCOC2)CC1 ZINC000876784421 750847871 /nfs/dbraw/zinc/84/78/71/750847871.db2.gz FDBLMDIIDMDNCO-OAHLLOKOSA-N 1 1 290.407 1.855 20 10 CDCDMO Cc1cc(O)c(C[N@H+](C)CC(C)(CO)CO)cc1Cl ZINC000824831553 750867158 /nfs/dbraw/zinc/86/71/58/750867158.db2.gz VCVFDWPLWDTDAK-UHFFFAOYSA-N 1 1 287.787 1.777 20 10 CDCDMO CCOc1ccc(C[N@@H+](CC)CC(N)=O)c(O)c1 ZINC000789597815 751009438 /nfs/dbraw/zinc/00/94/38/751009438.db2.gz XMIRYJMRROUWQP-UHFFFAOYSA-N 1 1 252.314 1.098 20 10 CDCDMO COc1ccc(N(C)CC[N@@H+](C)CC[C@@H](C)O)cc1 ZINC000844402921 751078273 /nfs/dbraw/zinc/07/82/73/751078273.db2.gz WTNGXWAUYFYAPZ-CYBMUJFWSA-N 1 1 266.385 1.834 20 10 CDCDMO Cc1cccc(O)c1C[N@H+](C)CC1(O)CCOCC1 ZINC000877459080 751088821 /nfs/dbraw/zinc/08/88/21/751088821.db2.gz GBJVWKRAMXFLHR-UHFFFAOYSA-N 1 1 265.353 1.674 20 10 CDCDMO 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BRGRUZROVBVHBX-CQSZACIVSA-N 1 1 292.379 1.891 20 10 CDCDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000187152981 262126741 /nfs/dbraw/zinc/12/67/41/262126741.db2.gz PSZFGKDUEBBWLA-NSHDSACASA-N 1 1 278.352 1.512 20 10 CDCDMO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(F)cc1O ZINC000184921042 262300217 /nfs/dbraw/zinc/30/02/17/262300217.db2.gz WMOVALPFBYMLOL-SECBINFHSA-N 1 1 290.360 1.121 20 10 CDCDMO CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000279793481 423786660 /nfs/dbraw/zinc/78/66/60/423786660.db2.gz VGTDORZNFKVMLD-MRXNPFEDSA-N 1 1 287.407 1.996 20 10 CDCDMO CCOc1cccc(C[N@H+]2C[C@H](F)C[C@H]2CO)c1O ZINC000368881920 267210228 /nfs/dbraw/zinc/21/02/28/267210228.db2.gz JJEWUXGRCMHFPS-NEPJUHHUSA-N 1 1 269.316 1.696 20 10 CDCDMO Oc1ccccc1C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000377698880 329025630 /nfs/dbraw/zinc/02/56/30/329025630.db2.gz MXCOFCSOJJRKHZ-DZGCQCFKSA-N 1 1 263.337 1.772 20 10 CDCDMO COc1c(O)c(C[NH2+]C(C)(C)CCO)ccc1[N+](=O)[O-] ZINC000278300009 521876076 /nfs/dbraw/zinc/87/60/76/521876076.db2.gz CQZBZWXJPGXWCT-UHFFFAOYSA-N 1 1 284.312 1.560 20 10 CDCDMO COc1c(O)c(C[NH2+][C@H](C)CCCO)ccc1[N+](=O)[O-] ZINC000278505567 521882143 /nfs/dbraw/zinc/88/21/43/521882143.db2.gz ORTYEVWJANVRCG-SECBINFHSA-N 1 1 284.312 1.560 20 10 CDCDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(O)c3O)[C@@H]2C1 ZINC000279891802 523990594 /nfs/dbraw/zinc/99/05/94/523990594.db2.gz SUOFWVGCOWUDMQ-CMPLNLGQSA-N 1 1 276.336 1.264 20 10 CDCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H](O)C3CC3)cc2)CC1 ZINC000771840449 575625163 /nfs/dbraw/zinc/62/51/63/575625163.db2.gz BDOJJJXICLNIEM-QGZVFWFLSA-N 1 1 289.423 1.299 20 10 CDCDMO CN1CCN(c2ccc(C[NH2+]C(C)(C)CCO)cc2)CC1 ZINC000771842485 575625651 /nfs/dbraw/zinc/62/56/51/575625651.db2.gz OHYMBUFBDVCRQK-UHFFFAOYSA-N 1 1 291.439 1.689 20 10 CDCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000773740985 575837216 /nfs/dbraw/zinc/83/72/16/575837216.db2.gz RJELDMGOVZUGSP-DGCLKSJQSA-N 1 1 292.379 1.629 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC2)c1 ZINC000756769284 575924143 /nfs/dbraw/zinc/92/41/43/575924143.db2.gz PIRZZFGTSMTXDM-ONGXEEELSA-N 1 1 265.309 1.618 20 10 CDCDMO CCOc1ccc(C[NH+]2CCN(C(=O)OC)CC2)c(O)c1 ZINC000768931042 576317574 /nfs/dbraw/zinc/31/75/74/576317574.db2.gz BIOXFVFOMKRNRK-UHFFFAOYSA-N 1 1 294.351 1.675 20 10 CDCDMO CCOc1ccc(C[N@@H+](C)CC[C@@H](C)O)c(O)c1 ZINC000769450428 576355218 /nfs/dbraw/zinc/35/52/18/576355218.db2.gz CTTHXKVFXZGOSG-LLVKDONJSA-N 1 1 253.342 1.994 20 10 CDCDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000748322742 576905634 /nfs/dbraw/zinc/90/56/34/576905634.db2.gz UHLYWQUPTKYMJU-MWLCHTKSSA-N 1 1 268.382 1.866 20 10 CDCDMO O=C(NCc1ccccc1O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000748460344 576913946 /nfs/dbraw/zinc/91/39/46/576913946.db2.gz OFGQDFFJSLKZPW-UONOGXRCSA-N 1 1 289.379 1.818 20 10 CDCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CC1(CO)COC1 ZINC000757386201 577039498 /nfs/dbraw/zinc/03/94/98/577039498.db2.gz BKUWSJDPYXEAKO-UHFFFAOYSA-N 1 1 292.423 1.972 20 10 CDCDMO CCCC[N@@H+](CC(N)=O)Cc1cc(C)cc(OC)c1O ZINC000893962465 618210159 /nfs/dbraw/zinc/21/01/59/618210159.db2.gz NYWNCUNCXKHCRK-UHFFFAOYSA-N 1 1 280.368 1.797 20 10 CDCDMO [NH3+]C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCCO1 ZINC000841100056 618682653 /nfs/dbraw/zinc/68/26/53/618682653.db2.gz DISDHWDQGABGOT-LLVKDONJSA-N 1 1 288.750 1.734 20 10 CDCDMO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894430452 618882650 /nfs/dbraw/zinc/88/26/50/618882650.db2.gz FYUIBKLRNKWICK-IUCAKERBSA-N 1 1 257.280 1.873 20 10 CDCDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894430452 618882651 /nfs/dbraw/zinc/88/26/51/618882651.db2.gz FYUIBKLRNKWICK-IUCAKERBSA-N 1 1 257.280 1.873 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000894453302 618894194 /nfs/dbraw/zinc/89/41/94/618894194.db2.gz OCNSUYCMGNAMMT-WLRWDXFRSA-N 1 1 285.409 1.908 20 10 CDCDMO COc1cc(C)cc(C[NH2+][C@H](C)c2ncnn2C)c1O ZINC000894540705 618950291 /nfs/dbraw/zinc/95/02/91/618950291.db2.gz 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/nfs/dbraw/zinc/60/41/73/621604173.db2.gz CLMVGTCYDRCUPO-NSHDSACASA-N 1 1 250.342 1.633 20 10 CDCDMO Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001607989742 1164364826 /nfs/dbraw/zinc/36/48/26/1164364826.db2.gz RNPUULSJRHUQGC-JTQLQIEISA-N 1 1 289.335 1.946 20 10 CDCDMO Oc1c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc(F)c1F ZINC001580885787 1172564803 /nfs/dbraw/zinc/56/48/03/1172564803.db2.gz MXAJPUWJAOCAHD-MNOVXSKESA-N 1 1 268.307 1.997 20 10 CDCDMO CC[N@H+]1CCCN(Cc2cccc(OC)c2O)CC1 ZINC000155352837 1178158731 /nfs/dbraw/zinc/15/87/31/1178158731.db2.gz WINGCHOLNZSKQW-UHFFFAOYSA-N 1 1 264.369 1.928 20 10 CDCDMO CCN1CCC[N@H+](Cc2cccc(OC)c2O)CC1 ZINC000155352837 1178158734 /nfs/dbraw/zinc/15/87/34/1178158734.db2.gz WINGCHOLNZSKQW-UHFFFAOYSA-N 1 1 264.369 1.928 20 10 CDCDMO CCN1CCC[N@@H+](Cc2cccc(OC)c2O)CC1 ZINC000155352837 1178158738 /nfs/dbraw/zinc/15/87/38/1178158738.db2.gz WINGCHOLNZSKQW-UHFFFAOYSA-N 1 1 264.369 1.928 20 10 CDCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(=O)N(C)C 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COC[C@@]1(CO)CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000825158781 754231343 /nfs/dbraw/zinc/23/13/43/754231343.db2.gz ZZLSAABQLOWELL-INIZCTEOSA-N 1 1 278.396 1.583 20 10 CDCDMO CC[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000096810781 754313003 /nfs/dbraw/zinc/31/30/03/754313003.db2.gz DMWKNFJYTFHQLX-LLVKDONJSA-N 1 1 265.309 1.732 20 10 CDCDMO CC[C@@H]1COCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000096810781 754313010 /nfs/dbraw/zinc/31/30/10/754313010.db2.gz DMWKNFJYTFHQLX-LLVKDONJSA-N 1 1 265.309 1.732 20 10 CDCDMO [NH3+]CC(F)(F)CNCc1ccc(N2CCOCC2)cc1 ZINC000841060527 754381204 /nfs/dbraw/zinc/38/12/04/754381204.db2.gz YZUQMEKMPYLKSV-UHFFFAOYSA-N 1 1 285.338 1.207 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](CCCO)C1 ZINC000825336875 754564731 /nfs/dbraw/zinc/56/47/31/754564731.db2.gz AGRLCJCNGGRILX-LBPRGKRZSA-N 1 1 265.353 1.995 20 10 CDCDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841295565 754608677 /nfs/dbraw/zinc/60/86/77/754608677.db2.gz BLIOIMWMZDDLHD-GHMZBOCLSA-N 1 1 262.357 1.825 20 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1.437 20 10 CDCDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)C1=CC(=O)CS1 ZINC000885886352 755034094 /nfs/dbraw/zinc/03/40/94/755034094.db2.gz WCOOWPPRXRSSGH-NSHDSACASA-N 1 1 296.392 1.437 20 10 CDCDMO CCc1cccc(C[N@@H+]2CCO[C@@H](CC(=O)OC)C2)c1O ZINC000848887351 755171501 /nfs/dbraw/zinc/17/15/01/755171501.db2.gz UKLZPJOBDKOMMG-AWEZNQCLSA-N 1 1 293.363 1.719 20 10 CDCDMO CCc1cccc(C[N@H+]2CCO[C@@H](CC(=O)OC)C2)c1O ZINC000848887351 755171508 /nfs/dbraw/zinc/17/15/08/755171508.db2.gz UKLZPJOBDKOMMG-AWEZNQCLSA-N 1 1 293.363 1.719 20 10 CDCDMO CCn1cc(C[NH2+]Cc2cc(OC)c(OC)cc2O)nn1 ZINC000827087694 755383690 /nfs/dbraw/zinc/38/36/90/755383690.db2.gz SPHJOCOMMXGQHQ-UHFFFAOYSA-N 1 1 292.339 1.311 20 10 CDCDMO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1c(O)cccc1F ZINC000886550346 755639406 /nfs/dbraw/zinc/63/94/06/755639406.db2.gz XWBQBDLFWPXUQB-NXEZZACHSA-N 1 1 278.327 1.945 20 10 CDCDMO C[C@H](NC[C@H](O)C[NH+](C)C)c1cc(F)ccc1O ZINC000717363410 755645783 /nfs/dbraw/zinc/64/57/83/755645783.db2.gz 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Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)ccc1N(C)C ZINC000292677735 370372059 /nfs/dbraw/zinc/37/20/59/370372059.db2.gz BPNOONYBPGGFLZ-IUODEOHRSA-N 1 1 291.395 1.136 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000295178930 371140628 /nfs/dbraw/zinc/14/06/28/371140628.db2.gz VKDYNBORGWEQDC-CYBMUJFWSA-N 1 1 294.351 1.673 20 10 CDCDMO CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(F)cc1O ZINC000295930631 378703608 /nfs/dbraw/zinc/70/36/08/378703608.db2.gz KSVJAMYMWURCTM-NQBHXWOUSA-N 1 1 255.289 1.332 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000093809167 390904262 /nfs/dbraw/zinc/90/42/62/390904262.db2.gz UWEMUIXQGAEPRQ-GFCCVEGCSA-N 1 1 262.353 1.788 20 10 CDCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(C)C1=O ZINC000174372152 391121281 /nfs/dbraw/zinc/12/12/81/391121281.db2.gz TVAAADMGHAVHCZ-CYBMUJFWSA-N 1 1 262.353 1.835 20 10 CDCDMO CC1(C)COCC[N@@H+]1CCNC(=O)Cc1ccc(N)cc1 ZINC000178762768 391191592 /nfs/dbraw/zinc/19/15/92/391191592.db2.gz QKHFWOUYNUPFCN-UHFFFAOYSA-N 1 1 291.395 1.038 20 10 CDCDMO CC1(C)COCC[N@H+]1CCNC(=O)Cc1ccc(N)cc1 ZINC000178762768 391191597 /nfs/dbraw/zinc/19/15/97/391191597.db2.gz QKHFWOUYNUPFCN-UHFFFAOYSA-N 1 1 291.395 1.038 20 10 CDCDMO Oc1ccccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000179562238 391210546 /nfs/dbraw/zinc/21/05/46/391210546.db2.gz LPQUINVTVHRJFE-OAHLLOKOSA-N 1 1 276.380 1.689 20 10 CDCDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccccc1O ZINC000179578868 391212937 /nfs/dbraw/zinc/21/29/37/391212937.db2.gz LMQNORYLFRIONK-LBPRGKRZSA-N 1 1 281.377 1.873 20 10 CDCDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccccc1O ZINC000183502180 391265849 /nfs/dbraw/zinc/26/58/49/391265849.db2.gz ZRRCKCFTMZFBOC-ZIAGYGMSSA-N 1 1 277.412 1.679 20 10 CDCDMO Cc1cccc(C[N@@H+]2CCOC[C@]23CCOC3)c1O ZINC000195013568 391374212 /nfs/dbraw/zinc/37/42/12/391374212.db2.gz BYWVVWRTHJHGNE-OAHLLOKOSA-N 1 1 263.337 1.692 20 10 CDCDMO Cc1cccc(C[N@H+]2CCOC[C@]23CCOC3)c1O ZINC000195013568 391374215 /nfs/dbraw/zinc/37/42/15/391374215.db2.gz BYWVVWRTHJHGNE-OAHLLOKOSA-N 1 1 263.337 1.692 20 10 CDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]([C@H]3CCOC3)C1)OCO2 ZINC000372175261 391841189 /nfs/dbraw/zinc/84/11/89/391841189.db2.gz GRQLWPAIVKMYIJ-NEPJUHHUSA-N 1 1 291.347 1.979 20 10 CDCDMO Cc1cccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000363886020 262008357 /nfs/dbraw/zinc/00/83/57/262008357.db2.gz HTFQGAAEYFNSJB-AWEZNQCLSA-N 1 1 262.353 1.217 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000368131606 267146902 /nfs/dbraw/zinc/14/69/02/267146902.db2.gz AWNGWLCSTQFXGG-JTQLQIEISA-N 1 1 264.325 1.098 20 10 CDCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1O ZINC000232594864 333339173 /nfs/dbraw/zinc/33/91/73/333339173.db2.gz NKXOUZPBPREPDO-OAHLLOKOSA-N 1 1 294.326 1.431 20 10 CDCDMO COc1ccc(C[N@@H+]2CC[C@H](N(C)C)C2)c(O)c1 ZINC000134182410 1175812904 /nfs/dbraw/zinc/81/29/04/1175812904.db2.gz ZHHXCYKJTVTXRX-LBPRGKRZSA-N 1 1 250.342 1.537 20 10 CDCDMO COc1ccc(C[N@H+]2CC[C@H](N(C)C)C2)c(O)c1 ZINC000134182410 1175812908 /nfs/dbraw/zinc/81/29/08/1175812908.db2.gz ZHHXCYKJTVTXRX-LBPRGKRZSA-N 1 1 250.342 1.537 20 10 CDCDMO CCOc1cccc(C[N@@H+](C)CC(C)(CO)CO)c1O ZINC000093502668 521331343 /nfs/dbraw/zinc/33/13/43/521331343.db2.gz SRIQDLNCUZHEAW-UHFFFAOYSA-N 1 1 283.368 1.214 20 10 CDCDMO CCC(O)(CC)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278627396 521656310 /nfs/dbraw/zinc/65/63/10/521656310.db2.gz GLWLGNCUIWTHTJ-UHFFFAOYSA-N 1 1 298.339 1.950 20 10 CDCDMO COc1c(O)c(C[NH2+]CCCCCO)ccc1[N+](=O)[O-] ZINC000280591579 521875174 /nfs/dbraw/zinc/87/51/74/521875174.db2.gz XNFQHUBALRTMPT-UHFFFAOYSA-N 1 1 284.312 1.561 20 10 CDCDMO COc1c(O)c(C[NH2+][C@H]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000278544274 521882209 /nfs/dbraw/zinc/88/22/09/521882209.db2.gz XWLXMWFJCWZOKA-NSHDSACASA-N 1 1 296.323 1.968 20 10 CDCDMO CO[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H]1OC ZINC000234881308 523737508 /nfs/dbraw/zinc/73/75/08/523737508.db2.gz YGKODHZTRYNFHU-TXEJJXNPSA-N 1 1 255.289 1.377 20 10 CDCDMO CO[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1OC ZINC000234881308 523737515 /nfs/dbraw/zinc/73/75/15/523737515.db2.gz YGKODHZTRYNFHU-TXEJJXNPSA-N 1 1 255.289 1.377 20 10 CDCDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(O)c1O ZINC000279305000 524573748 /nfs/dbraw/zinc/57/37/48/524573748.db2.gz NUBJQVXTOIGKOL-CABZTGNLSA-N 1 1 276.336 1.310 20 10 CDCDMO Cc1ccc(O)c(C[NH+]2CCN(C3CCOCC3)CC2)c1 ZINC000129790779 525343712 /nfs/dbraw/zinc/34/37/12/525343712.db2.gz DDVHVCOFKVACBQ-UHFFFAOYSA-N 1 1 290.407 1.997 20 10 CDCDMO COc1cccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)c1O ZINC000277402707 525952069 /nfs/dbraw/zinc/95/20/69/525952069.db2.gz HXGJTUMUQORACH-NSPYISDASA-N 1 1 283.393 1.601 20 10 CDCDMO COc1cccc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)c1O ZINC000277402707 525952076 /nfs/dbraw/zinc/95/20/76/525952076.db2.gz HXGJTUMUQORACH-NSPYISDASA-N 1 1 283.393 1.601 20 10 CDCDMO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279956328 526408916 /nfs/dbraw/zinc/40/89/16/526408916.db2.gz SOTOUQCXUCXJKN-CYBMUJFWSA-N 1 1 290.363 1.383 20 10 CDCDMO CC[N@@H+](CCNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000732282071 575086486 /nfs/dbraw/zinc/08/64/86/575086486.db2.gz JHBBFALNGQZRRU-UHFFFAOYSA-N 1 1 254.355 1.668 20 10 CDCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCCO1 ZINC000768447260 576284176 /nfs/dbraw/zinc/28/41/76/576284176.db2.gz NTSKLWFVPCOSOT-CQSZACIVSA-N 1 1 293.363 1.819 20 10 CDCDMO C[C@H]1COCCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462445 576286671 /nfs/dbraw/zinc/28/66/71/576286671.db2.gz LMTKLDPXELFCSG-IINYFYTJSA-N 1 1 279.336 1.429 20 10 CDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C)C2)c1 ZINC000756536293 576994246 /nfs/dbraw/zinc/99/42/46/576994246.db2.gz UNQQBOMTQVJNRO-ZYHUDNBSSA-N 1 1 278.352 1.534 20 10 CDCDMO COCC[NH+]1CCN(Cc2ccc(OC)cc2O)CC1 ZINC000123026973 1175247686 /nfs/dbraw/zinc/24/76/86/1175247686.db2.gz GTZSQFSJVSLNAH-UHFFFAOYSA-N 1 1 280.368 1.165 20 10 CDCDMO COc1ccc(C[N@@H+](C)CC2(O)CCC2)c(O)c1OC ZINC000893576488 617609414 /nfs/dbraw/zinc/60/94/14/617609414.db2.gz AALXLJYMPLMULU-UHFFFAOYSA-N 1 1 281.352 1.756 20 10 CDCDMO C[NH2+]CCCNCc1ccc(N2CCOCC2)cc1 ZINC000841041397 618677212 /nfs/dbraw/zinc/67/72/12/618677212.db2.gz DVBDDOSYJHDQOO-UHFFFAOYSA-N 1 1 263.385 1.222 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CCCN(C=O)CC2)c1O ZINC000895355045 619597813 /nfs/dbraw/zinc/59/78/13/619597813.db2.gz WSDASTZHDHMKCI-UHFFFAOYSA-N 1 1 278.352 1.373 20 10 CDCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC000896141610 620000011 /nfs/dbraw/zinc/00/00/11/620000011.db2.gz NPSMLXZIPPSDBC-WPRPVWTQSA-N 1 1 285.290 1.911 20 10 CDCDMO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(Cl)cc1O ZINC000841762249 621020040 /nfs/dbraw/zinc/02/00/40/621020040.db2.gz IJKVUPKBTSQLRW-YPMHNXCESA-N 1 1 297.830 1.942 20 10 CDCDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000901130598 623889975 /nfs/dbraw/zinc/88/99/75/623889975.db2.gz DKZSHAGIJZYYGF-NSHDSACASA-N 1 1 278.352 1.587 20 10 CDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN2C)c1 ZINC000903318010 625970459 /nfs/dbraw/zinc/97/04/59/625970459.db2.gz OGCQQGQMICWKMR-PWSUYJOCSA-N 1 1 278.352 1.534 20 10 CDCDMO CCNC(=O)C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000921029717 632869790 /nfs/dbraw/zinc/86/97/90/632869790.db2.gz VAOQCGWXBNUOGP-UHFFFAOYSA-N 1 1 250.342 1.577 20 10 CDCDMO COC[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000876748537 1165906772 /nfs/dbraw/zinc/90/67/72/1165906772.db2.gz DZIFFGZTJMBCMX-ZDUSSCGKSA-N 1 1 251.326 1.548 20 10 CDCDMO C[NH2+]CCCN(C)Cc1c(C)cc(OC)cc1O ZINC001578687429 1171981570 /nfs/dbraw/zinc/98/15/70/1171981570.db2.gz OIWQDTCTEHGSNJ-UHFFFAOYSA-N 1 1 252.358 1.751 20 10 CDCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)CCO)c1O ZINC000844448305 758888106 /nfs/dbraw/zinc/88/81/06/758888106.db2.gz YLTMRHBJUYYQLF-SECBINFHSA-N 1 1 269.316 1.937 20 10 CDCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)CCO)c1O ZINC000844448305 758888116 /nfs/dbraw/zinc/88/81/16/758888116.db2.gz YLTMRHBJUYYQLF-SECBINFHSA-N 1 1 269.316 1.937 20 10 CDCDMO C[C@H]1C[NH2+]CCN1Cc1cc(Cl)cc(F)c1O ZINC000843047435 758888815 /nfs/dbraw/zinc/88/88/15/758888815.db2.gz LREJLFUOLQLFDR-QMMMGPOBSA-N 1 1 258.724 1.978 20 10 CDCDMO COc1cccc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1O ZINC000092660472 758931000 /nfs/dbraw/zinc/93/10/00/758931000.db2.gz FZYXYQMCSGTHIV-LBPRGKRZSA-N 1 1 292.379 1.878 20 10 CDCDMO OCC[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000779202582 759033276 /nfs/dbraw/zinc/03/32/76/759033276.db2.gz OULRDVWVIIYROZ-LLVKDONJSA-N 1 1 265.309 1.468 20 10 CDCDMO COC[C@@]1(CO)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000825158405 769638572 /nfs/dbraw/zinc/63/85/72/769638572.db2.gz KPTGJQZGKLZNSQ-AWEZNQCLSA-N 1 1 285.771 1.876 20 10 CDCDMO CCOc1cccc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1O ZINC000248422066 769693819 /nfs/dbraw/zinc/69/38/19/769693819.db2.gz YLSPQQVSTZXOFB-NWDGAFQWSA-N 1 1 265.353 1.994 20 10 CDCDMO CCC[N@@H+](CCc1c[nH]nn1)Cc1ccccc1O ZINC000851792683 768861787 /nfs/dbraw/zinc/86/17/87/768861787.db2.gz QSZJFIMISIGCEB-UHFFFAOYSA-N 1 1 260.341 1.965 20 10 CDCDMO CCC[N@H+](CCc1cn[nH]n1)Cc1ccccc1O ZINC000851792683 768861788 /nfs/dbraw/zinc/86/17/88/768861788.db2.gz QSZJFIMISIGCEB-UHFFFAOYSA-N 1 1 260.341 1.965 20 10 CDCDMO CCC[N@@H+](CCc1cn[nH]n1)Cc1ccccc1O ZINC000851792683 768861789 /nfs/dbraw/zinc/86/17/89/768861789.db2.gz QSZJFIMISIGCEB-UHFFFAOYSA-N 1 1 260.341 1.965 20 10 CDCDMO CCC[N@@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1[O-] ZINC000814177890 768918063 /nfs/dbraw/zinc/91/80/63/768918063.db2.gz TWSSEURAGNRLDI-UHFFFAOYSA-N 1 1 274.723 1.882 20 10 CDCDMO CCCN(CC(N)=O)Cc1cc(Cl)cc(F)c1[O-] ZINC000814177890 768918082 /nfs/dbraw/zinc/91/80/82/768918082.db2.gz TWSSEURAGNRLDI-UHFFFAOYSA-N 1 1 274.723 1.882 20 10 CDCDMO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(F)cc1O ZINC000848564197 769355356 /nfs/dbraw/zinc/35/53/56/769355356.db2.gz JGMYUOXRQRPGTF-ONGXEEELSA-N 1 1 290.342 1.868 20 10 CDCDMO CN1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](CO)C3)cc2)CC1 ZINC000865662475 769806823 /nfs/dbraw/zinc/80/68/23/769806823.db2.gz CSQFLNFKQMJBBZ-IYBDPMFKSA-N 1 1 289.423 1.299 20 10 CDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000876624984 769827061 /nfs/dbraw/zinc/82/70/61/769827061.db2.gz NFNLYYULNQPSPL-ZDUSSCGKSA-N 1 1 289.379 1.690 20 10 CDCDMO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000862754790 769861107 /nfs/dbraw/zinc/86/11/07/769861107.db2.gz KKASTFRSARLNSX-DGCLKSJQSA-N 1 1 262.353 1.657 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1 ZINC000857061174 770000795 /nfs/dbraw/zinc/00/07/95/770000795.db2.gz LEVNLAQBPFFZBE-WCQYABFASA-N 1 1 265.353 1.851 20 10 CDCDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1 ZINC000799163876 770113877 /nfs/dbraw/zinc/11/38/77/770113877.db2.gz OAMDSFCUXKIHLJ-DOMZBBRYSA-N 1 1 293.363 1.819 20 10 CDCDMO NC(=O)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000808229244 770306852 /nfs/dbraw/zinc/30/68/52/770306852.db2.gz OSZKAIFIGCBSQA-GFCCVEGCSA-N 1 1 288.391 1.968 20 10 CDCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1COCCO1 ZINC000790948583 770335757 /nfs/dbraw/zinc/33/57/57/770335757.db2.gz LBTNDIJLWVZVMQ-MRVPVSSYSA-N 1 1 275.707 1.690 20 10 CDCDMO OC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@H]1O ZINC000840974505 770834196 /nfs/dbraw/zinc/83/41/96/770834196.db2.gz BYTGVPJXMZYSPO-GDBMZVCRSA-N 1 1 287.359 1.721 20 10 CDCDMO C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)S(C)(=O)=O ZINC000790982698 771051655 /nfs/dbraw/zinc/05/16/55/771051655.db2.gz HCAHLCYOVNMPIB-SSDOTTSWSA-N 1 1 295.763 1.707 20 10 CDCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000815101382 771286965 /nfs/dbraw/zinc/28/69/65/771286965.db2.gz XTTMHBPKLQKUFE-GOEBONIOSA-N 1 1 278.396 1.318 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c1 ZINC000827699117 771302589 /nfs/dbraw/zinc/30/25/89/771302589.db2.gz FFRGTTWZIBJZOE-ABAIWWIYSA-N 1 1 265.353 1.851 20 10 CDCDMO COc1c(O)c(C[NH2+][C@H]2CO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000843431796 771357923 /nfs/dbraw/zinc/35/79/23/771357923.db2.gz DSYVIHIFNVQZQG-PSASIEDQSA-N 1 1 282.296 1.576 20 10 CDCDMO C[NH2+]C[C@@H]1CCN(Cc2c(O)cccc2OC)C1 ZINC000843052987 771431801 /nfs/dbraw/zinc/43/18/01/771431801.db2.gz RZWXIQHFXOCDDE-NSHDSACASA-N 1 1 250.342 1.442 20 10 CDCDMO COc1ccc(C[NH2+]Cc2cc[nH]n2)cc1Cn1cccn1 ZINC000873044992 771500009 /nfs/dbraw/zinc/50/00/09/771500009.db2.gz AEFDWHNRYKMIJD-UHFFFAOYSA-N 1 1 297.362 1.953 20 10 CDCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000817414855 771501326 /nfs/dbraw/zinc/50/13/26/771501326.db2.gz PJPSTXQMMRLKDQ-PBHICJAKSA-N 1 1 290.407 1.868 20 10 CDCDMO CCn1nc(C)c(C[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000818221700 771503234 /nfs/dbraw/zinc/50/32/34/771503234.db2.gz SMYDLDBQFHYRLQ-UHFFFAOYSA-N 1 1 290.323 1.331 20 10 CDCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1 ZINC000815105781 771599784 /nfs/dbraw/zinc/59/97/84/771599784.db2.gz KYNHPSCKIGBIFG-MRXNPFEDSA-N 1 1 275.396 1.840 20 10 CDCDMO CC[N@H+]1CCN(Cc2cc(OC)ccc2O)C[C@H]1C ZINC000250355019 771615316 /nfs/dbraw/zinc/61/53/16/771615316.db2.gz RZCSHLBXRQIYCT-GFCCVEGCSA-N 1 1 264.369 1.927 20 10 CDCDMO CCN1CC[N@H+](Cc2cc(OC)ccc2O)C[C@H]1C ZINC000250355019 771615328 /nfs/dbraw/zinc/61/53/28/771615328.db2.gz RZCSHLBXRQIYCT-GFCCVEGCSA-N 1 1 264.369 1.927 20 10 CDCDMO CCN1CC[N@@H+](Cc2cc(OC)ccc2O)C[C@H]1C ZINC000250355019 771615343 /nfs/dbraw/zinc/61/53/43/771615343.db2.gz RZCSHLBXRQIYCT-GFCCVEGCSA-N 1 1 264.369 1.927 20 10 CDCDMO Cc1ccc(C[N@@H+]2CCN(C[C@H](C)O)C[C@H]2C)c(O)c1 ZINC000877487054 771654505 /nfs/dbraw/zinc/65/45/05/771654505.db2.gz BONWLFDXUBDNNV-KGLIPLIRSA-N 1 1 278.396 1.588 20 10 CDCDMO Cc1ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(O)c1 ZINC000877487054 771654520 /nfs/dbraw/zinc/65/45/20/771654520.db2.gz BONWLFDXUBDNNV-KGLIPLIRSA-N 1 1 278.396 1.588 20 10 CDCDMO Cc1ccc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(O)c1 ZINC000877487054 771654542 /nfs/dbraw/zinc/65/45/42/771654542.db2.gz BONWLFDXUBDNNV-KGLIPLIRSA-N 1 1 278.396 1.588 20 10 CDCDMO C[C@H](NC(=O)N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000776237446 771812145 /nfs/dbraw/zinc/81/21/45/771812145.db2.gz HCVPPPHAFBXVME-ZDUSSCGKSA-N 1 1 290.411 1.771 20 10 CDCDMO CCOc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)c(O)c1 ZINC000841078575 771838337 /nfs/dbraw/zinc/83/83/37/771838337.db2.gz JAGHELHKTMSCGF-RYUDHWBXSA-N 1 1 268.332 1.581 20 10 CDCDMO CCOc1cccc(C[N@@H+](C)C2(CO)CC2)c1O ZINC000827903063 772015834 /nfs/dbraw/zinc/01/58/34/772015834.db2.gz AKZPJKWOCJUQTR-UHFFFAOYSA-N 1 1 251.326 1.748 20 10 CDCDMO COc1c([O-])c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000775098518 772025285 /nfs/dbraw/zinc/02/52/85/772025285.db2.gz WXENXMANBMSCRI-IINYFYTJSA-N 1 1 294.307 1.123 20 10 CDCDMO COc1c(O)c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000775098518 772025292 /nfs/dbraw/zinc/02/52/92/772025292.db2.gz WXENXMANBMSCRI-IINYFYTJSA-N 1 1 294.307 1.123 20 10 CDCDMO COc1c(O)c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000775098518 772025301 /nfs/dbraw/zinc/02/53/01/772025301.db2.gz WXENXMANBMSCRI-IINYFYTJSA-N 1 1 294.307 1.123 20 10 CDCDMO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1c(O)cccc1F ZINC000886532230 772218840 /nfs/dbraw/zinc/21/88/40/772218840.db2.gz GGTFUUROTHCGNJ-TVQRCGJNSA-N 1 1 279.315 1.649 20 10 CDCDMO CN(C)c1ccc(C[N@@H+]2CCO[C@H](CF)C2)cc1 ZINC000839623076 772223304 /nfs/dbraw/zinc/22/33/04/772223304.db2.gz XKTGTNMAKVLNHB-CQSZACIVSA-N 1 1 252.333 1.923 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2CCO[C@H](CF)C2)cc1 ZINC000839623076 772223318 /nfs/dbraw/zinc/22/33/18/772223318.db2.gz XKTGTNMAKVLNHB-CQSZACIVSA-N 1 1 252.333 1.923 20 10 CDCDMO CCc1cccc(C[N@H+]2CCN(CC)C(=O)C2)c1O ZINC000848901765 772299659 /nfs/dbraw/zinc/29/96/59/772299659.db2.gz BVCPCNPRYPHIGJ-UHFFFAOYSA-N 1 1 262.353 1.619 20 10 CDCDMO CCc1cccc(C[N@@H+]2CCN(CC)C(=O)C2)c1O ZINC000848901765 772299676 /nfs/dbraw/zinc/29/96/76/772299676.db2.gz BVCPCNPRYPHIGJ-UHFFFAOYSA-N 1 1 262.353 1.619 20 10 CDCDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000862387126 772312854 /nfs/dbraw/zinc/31/28/54/772312854.db2.gz HEBKKNNCETXQEL-SNVBAGLBSA-N 1 1 298.339 1.902 20 10 CDCDMO CC[C@@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000862387126 772312860 /nfs/dbraw/zinc/31/28/60/772312860.db2.gz HEBKKNNCETXQEL-SNVBAGLBSA-N 1 1 298.339 1.902 20 10 CDCDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000862387126 772312869 /nfs/dbraw/zinc/31/28/69/772312869.db2.gz HEBKKNNCETXQEL-SNVBAGLBSA-N 1 1 298.339 1.902 20 10 CDCDMO Cc1ccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(O)c1 ZINC000877497139 772390205 /nfs/dbraw/zinc/39/02/05/772390205.db2.gz GWGJHOPYMYWUTM-OLZOCXBDSA-N 1 1 276.336 1.631 20 10 CDCDMO CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1cnc[nH]1 ZINC000935948586 772412364 /nfs/dbraw/zinc/41/23/64/772412364.db2.gz PHDWXWKVHKNHLP-UHFFFAOYSA-N 1 1 294.351 1.850 20 10 CDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@](CO)(COC)C2)c1 ZINC000825158536 772598480 /nfs/dbraw/zinc/59/84/80/772598480.db2.gz OZTSBZWPOBTJQO-MRXNPFEDSA-N 1 1 295.379 1.622 20 10 CDCDMO C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000702602009 772641989 /nfs/dbraw/zinc/64/19/89/772641989.db2.gz FGRGQSXTSVPGGZ-ZDUSSCGKSA-N 1 1 270.760 1.202 20 10 CDCDMO C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000702602009 772641991 /nfs/dbraw/zinc/64/19/91/772641991.db2.gz FGRGQSXTSVPGGZ-ZDUSSCGKSA-N 1 1 270.760 1.202 20 10 CDCDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000797414118 772660196 /nfs/dbraw/zinc/66/01/96/772660196.db2.gz VCCYEWNQBKJJSZ-INIZCTEOSA-N 1 1 292.379 1.667 20 10 CDCDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cccc(O)c1O ZINC000300548683 772662189 /nfs/dbraw/zinc/66/21/89/772662189.db2.gz NRBNEPDHRJZTKV-LLVKDONJSA-N 1 1 278.352 1.654 20 10 CDCDMO Cc1cccc(O)c1C[NH+]1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000876688702 772723757 /nfs/dbraw/zinc/72/37/57/772723757.db2.gz VYOASUSSSKUQLJ-RDJZCZTQSA-N 1 1 290.407 1.732 20 10 CDCDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180227511 772819974 /nfs/dbraw/zinc/81/99/74/772819974.db2.gz LIFHYZRUKWZYNF-JTQLQIEISA-N 1 1 266.316 1.619 20 10 CDCDMO CCOc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)c(O)c1 ZINC000802660833 772931914 /nfs/dbraw/zinc/93/19/14/772931914.db2.gz XIYSVLRZOMPPHR-AWEZNQCLSA-N 1 1 269.316 1.697 20 10 CDCDMO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000104901000 772961825 /nfs/dbraw/zinc/96/18/25/772961825.db2.gz RYONOWQHLZZYIR-GWCFXTLKSA-N 1 1 278.352 1.672 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1O ZINC000794716391 772976422 /nfs/dbraw/zinc/97/64/22/772976422.db2.gz RWSWYYYKIMEDOZ-OAHLLOKOSA-N 1 1 278.352 1.407 20 10 CDCDMO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1c(O)cccc1F ZINC000886625772 773013416 /nfs/dbraw/zinc/01/34/16/773013416.db2.gz ZSRMNIPJKYHRPY-NXEZZACHSA-N 1 1 266.316 1.708 20 10 CDCDMO Cc1cc(O)c(CN2CC[N@H+](C)C[C@@H]2CO)cc1Cl ZINC000877643862 773039156 /nfs/dbraw/zinc/03/91/56/773039156.db2.gz KITNTGDYMWHAQV-GFCCVEGCSA-N 1 1 284.787 1.462 20 10 CDCDMO COc1cccc(O)c1C[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000817412269 773298476 /nfs/dbraw/zinc/29/84/76/773298476.db2.gz HMOXKOWUZKHURU-NWDGAFQWSA-N 1 1 265.353 1.851 20 10 CDCDMO C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843052128 773301843 /nfs/dbraw/zinc/30/18/43/773301843.db2.gz GUBUPQQJMZZELM-SECBINFHSA-N 1 1 299.758 1.995 20 10 CDCDMO C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843052128 773301851 /nfs/dbraw/zinc/30/18/51/773301851.db2.gz GUBUPQQJMZZELM-SECBINFHSA-N 1 1 299.758 1.995 20 10 CDCDMO COc1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(O)c1 ZINC000794391066 773356667 /nfs/dbraw/zinc/35/66/67/773356667.db2.gz UDGQBFWWLXPFDH-TXEJJXNPSA-N 1 1 292.379 1.890 20 10 CDCDMO Cc1[nH+]ccn1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841772348 773501259 /nfs/dbraw/zinc/50/12/59/773501259.db2.gz ZNFOSGVXIRIXNW-UHFFFAOYSA-N 1 1 287.367 1.316 20 10 CDCDMO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1c(O)cccc1F ZINC000886612255 773514970 /nfs/dbraw/zinc/51/49/70/773514970.db2.gz HDTDCXNTKBPTSY-VIFPVBQESA-N 1 1 290.360 1.073 20 10 CDCDMO COC(=O)Cc1ccc(C[N@@H+](C)CC2CC2)c(O)c1 ZINC001249171129 912460090 /nfs/dbraw/zinc/46/00/90/912460090.db2.gz AFTXNVRSEBUFGI-UHFFFAOYSA-N 1 1 263.337 1.950 20 10 CDCDMO Oc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)cc1O ZINC001233483365 912819535 /nfs/dbraw/zinc/81/95/35/912819535.db2.gz XGMXBCWTTHJNMN-NXEZZACHSA-N 1 1 271.288 1.098 20 10 CDCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)cc1O ZINC001233483368 912823261 /nfs/dbraw/zinc/82/32/61/912823261.db2.gz XGMXBCWTTHJNMN-ZJUUUORDSA-N 1 1 271.288 1.098 20 10 CDCDMO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CN(C)C)c(OC)c1 ZINC001141028320 899328059 /nfs/dbraw/zinc/32/80/59/899328059.db2.gz KQLMABIMWSNOSV-LBPRGKRZSA-N 1 1 294.395 1.935 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2CN(C)C)c(OC)c1 ZINC001141028320 899328066 /nfs/dbraw/zinc/32/80/66/899328066.db2.gz KQLMABIMWSNOSV-LBPRGKRZSA-N 1 1 294.395 1.935 20 10 CDCDMO CC[N@H+](Cc1ccc2c(c1)OCCN2C)[C@@H](C)C(=O)OC ZINC001141145340 899786762 /nfs/dbraw/zinc/78/67/62/899786762.db2.gz AATLCRBNDKLQCG-LBPRGKRZSA-N 1 1 292.379 1.899 20 10 CDCDMO CC[N@@H+](Cc1ccc2c(c1)OCCN2C)[C@@H](C)C(=O)OC ZINC001141145340 899786765 /nfs/dbraw/zinc/78/67/65/899786765.db2.gz AATLCRBNDKLQCG-LBPRGKRZSA-N 1 1 292.379 1.899 20 10 CDCDMO [NH3+][C@]12C[C@H]1CN(Cc1cc(F)cc(Cl)c1O)C2 ZINC001236025293 914570020 /nfs/dbraw/zinc/57/00/20/914570020.db2.gz LBFLPCBBKLSTGU-UFBFGSQYSA-N 1 1 256.708 1.718 20 10 CDCDMO COCC(=O)NC1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137837464 936418809 /nfs/dbraw/zinc/41/88/09/936418809.db2.gz HWYNQYAHEYXJKU-UHFFFAOYSA-N 1 1 296.342 1.258 20 10 CDCDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1c(O)cccc1F ZINC001137841780 936420222 /nfs/dbraw/zinc/42/02/22/936420222.db2.gz VBVMUYJSQYTECX-QWRGUYRKSA-N 1 1 250.317 1.810 20 10 CDCDMO NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237947975 917668752 /nfs/dbraw/zinc/66/87/52/917668752.db2.gz VSBIXBLRVPNQQS-QMMMGPOBSA-N 1 1 286.734 1.882 20 10 CDCDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237947975 917668758 /nfs/dbraw/zinc/66/87/58/917668758.db2.gz VSBIXBLRVPNQQS-QMMMGPOBSA-N 1 1 286.734 1.882 20 10 CDCDMO COc1cc(C[N@H+]2C[C@@H](CO)CC[C@H]2C)cc(O)c1O ZINC001204342989 917891788 /nfs/dbraw/zinc/89/17/88/917891788.db2.gz PBUBWQXCKUTTSS-MNOVXSKESA-N 1 1 281.352 1.699 20 10 CDCDMO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138130527 936476266 /nfs/dbraw/zinc/47/62/66/936476266.db2.gz BXFUZHRFXJMIJI-LBPRGKRZSA-N 1 1 266.316 1.584 20 10 CDCDMO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138130527 936476270 /nfs/dbraw/zinc/47/62/70/936476270.db2.gz BXFUZHRFXJMIJI-LBPRGKRZSA-N 1 1 266.316 1.584 20 10 CDCDMO CN(C)c1ncc(C[N@H+]2CCc3cccc(O)c3C2)cn1 ZINC001138351026 936524685 /nfs/dbraw/zinc/52/46/85/936524685.db2.gz FASCFJWNCUENHA-UHFFFAOYSA-N 1 1 284.363 1.807 20 10 CDCDMO COc1cccc(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC001203596841 919268807 /nfs/dbraw/zinc/26/88/07/919268807.db2.gz ONJRLJPRIKXOTD-OCCSQVGLSA-N 1 1 276.380 1.927 20 10 CDCDMO COc1cccc(C[N@@H+]2CCC[C@@H]3CN(C)C[C@@H]32)c1O ZINC001203596841 919268817 /nfs/dbraw/zinc/26/88/17/919268817.db2.gz ONJRLJPRIKXOTD-OCCSQVGLSA-N 1 1 276.380 1.927 20 10 CDCDMO COc1cccc(C[N@H+]2CCC[C@@H]3CN(C)C[C@@H]32)c1O ZINC001203596841 919268834 /nfs/dbraw/zinc/26/88/34/919268834.db2.gz ONJRLJPRIKXOTD-OCCSQVGLSA-N 1 1 276.380 1.927 20 10 CDCDMO Cc1cc(C)c(CNC(=O)[C@H]2CCC[N@H+](C)C2)c(O)c1 ZINC001186364590 919998623 /nfs/dbraw/zinc/99/86/23/919998623.db2.gz QTVRGRDETXWKHC-ZDUSSCGKSA-N 1 1 276.380 1.967 20 10 CDCDMO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1cc(C)ccc1O ZINC001140624291 936732585 /nfs/dbraw/zinc/73/25/85/936732585.db2.gz OWRKJOCIYBMVGO-AWEZNQCLSA-N 1 1 293.363 1.855 20 10 CDCDMO COC(=O)CC[C@H]1COCC[N@H+]1Cc1cc(C)ccc1O ZINC001140624291 936732586 /nfs/dbraw/zinc/73/25/86/936732586.db2.gz OWRKJOCIYBMVGO-AWEZNQCLSA-N 1 1 293.363 1.855 20 10 CDCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)c1O ZINC001140744102 936748803 /nfs/dbraw/zinc/74/88/03/936748803.db2.gz LYWZCMOGIBRESC-ZUZCIYMTSA-N 1 1 265.353 1.999 20 10 CDCDMO Cc1c(O)ccc(C[N@@H+]2CCc3cnn(C)c3C2)c1O ZINC001140747548 936749740 /nfs/dbraw/zinc/74/97/40/936749740.db2.gz FIPSJTHZWYWTGS-UHFFFAOYSA-N 1 1 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/nfs/dbraw/zinc/31/25/21/619312521.db2.gz VSKCZFRGGHMGAO-GARJFASQSA-N 1 1 278.352 1.498 20 10 CDCDMO COc1ccc(O)c(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1 ZINC000895119134 619312525 /nfs/dbraw/zinc/31/25/25/619312525.db2.gz VSKCZFRGGHMGAO-GARJFASQSA-N 1 1 278.352 1.498 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c1 ZINC000895332626 619570916 /nfs/dbraw/zinc/57/09/16/619570916.db2.gz XBXBMGRAIFLJQR-GXTWGEPZSA-N 1 1 251.326 1.018 20 10 CDCDMO COc1ccc(O)c(CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000896360516 620072201 /nfs/dbraw/zinc/07/22/01/620072201.db2.gz DZSWMPYFSGNBOK-CYBMUJFWSA-N 1 1 292.379 1.890 20 10 CDCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCN2C)ccc1[N+](=O)[O-] ZINC000896593566 620160345 /nfs/dbraw/zinc/16/03/45/620160345.db2.gz BXQQZXALOUZKPR-JTQLQIEISA-N 1 1 281.312 1.103 20 10 CDCDMO COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(O)c1OC ZINC000897676708 621063522 /nfs/dbraw/zinc/06/35/22/621063522.db2.gz WKHDICZDABVODS-ONGXEEELSA-N 1 1 267.325 1.222 20 10 CDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H]3COCC[C@@H]31)OCO2 ZINC000902626137 625052109 /nfs/dbraw/zinc/05/21/09/625052109.db2.gz OFFLQMUIFXWXGJ-XHDPSFHLSA-N 1 1 293.319 1.111 20 10 CDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H]3COCC[C@@H]31)OCO2 ZINC000902626137 625052111 /nfs/dbraw/zinc/05/21/11/625052111.db2.gz OFFLQMUIFXWXGJ-XHDPSFHLSA-N 1 1 293.319 1.111 20 10 CDCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722735 626064053 /nfs/dbraw/zinc/06/40/53/626064053.db2.gz OGXOMVAPIZCXNK-OAHLLOKOSA-N 1 1 290.407 1.983 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](C3OCCO3)C2)c1O ZINC000905694894 626941233 /nfs/dbraw/zinc/94/12/33/626941233.db2.gz KMWZDUPBYNSXMA-GFCCVEGCSA-N 1 1 293.363 1.904 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1 ZINC000154125631 632052084 /nfs/dbraw/zinc/05/20/84/632052084.db2.gz QZCNBXSOEXZMDK-ZDUSSCGKSA-N 1 1 298.408 1.214 20 10 CDCDMO CN1CCC2(CC[NH+](Cc3c(O)cccc3F)CC2)C1=O ZINC001137840391 1167031159 /nfs/dbraw/zinc/03/11/59/1167031159.db2.gz ZDLQCTSUHYLTBR-UHFFFAOYSA-N 1 1 292.354 1.976 20 10 CDCDMO CCO[C@@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@H]1C[NH3+] ZINC001578157814 1171820582 /nfs/dbraw/zinc/82/05/82/1171820582.db2.gz XZCIUSWRWDLQJG-UKRRQHHQSA-N 1 1 294.395 1.505 20 10 CDCDMO C[C@@H](O)[C@H]([NH3+])C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001579419600 1172172843 /nfs/dbraw/zinc/17/28/43/1172172843.db2.gz BTFXDRTVRCVLRD-ANLVUFKYSA-N 1 1 293.150 1.023 20 10 CDCDMO O=C(c1ccncc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000155336619 1178159003 /nfs/dbraw/zinc/15/90/03/1178159003.db2.gz FFSOHERPXZDCAK-UHFFFAOYSA-N 1 1 297.358 1.745 20 10 CDCDMO CNC[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000853249574 773805294 /nfs/dbraw/zinc/80/52/94/773805294.db2.gz RJYHVZJJPLJQQJ-ZDUSSCGKSA-N 1 1 277.412 1.862 20 10 CDCDMO C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000762788752 773852398 /nfs/dbraw/zinc/85/23/98/773852398.db2.gz QLRDZGWSYLPOIA-YGRLFVJLSA-N 1 1 295.339 1.018 20 10 CDCDMO C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000762788752 773852402 /nfs/dbraw/zinc/85/24/02/773852402.db2.gz QLRDZGWSYLPOIA-YGRLFVJLSA-N 1 1 295.339 1.018 20 10 CDCDMO CN(C)C(=O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858087230 773975479 /nfs/dbraw/zinc/97/54/79/773975479.db2.gz BGGUTCHRQYWQQO-UHFFFAOYSA-N 1 1 271.311 1.209 20 10 CDCDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1c(F)ccc(O)c1O ZINC000825771652 774054365 /nfs/dbraw/zinc/05/43/65/774054365.db2.gz YUPVRTAHSJWSDO-SNVBAGLBSA-N 1 1 294.326 1.451 20 10 CDCDMO COc1cc(O)c(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000775985538 774162119 /nfs/dbraw/zinc/16/21/19/774162119.db2.gz MURKAWZMANLBFC-NWDGAFQWSA-N 1 1 294.395 1.934 20 10 CDCDMO COc1cc(O)c(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)cc1OC ZINC000775985538 774162122 /nfs/dbraw/zinc/16/21/22/774162122.db2.gz MURKAWZMANLBFC-NWDGAFQWSA-N 1 1 294.395 1.934 20 10 CDCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)cc1OC ZINC000775985538 774162123 /nfs/dbraw/zinc/16/21/23/774162123.db2.gz MURKAWZMANLBFC-NWDGAFQWSA-N 1 1 294.395 1.934 20 10 CDCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(C)n2)c1 ZINC000389833991 774197252 /nfs/dbraw/zinc/19/72/52/774197252.db2.gz CFRAYIBVWHYFGY-VIFPVBQESA-N 1 1 262.313 1.380 20 10 CDCDMO CCc1cccc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1O ZINC000848916734 774322222 /nfs/dbraw/zinc/32/22/22/774322222.db2.gz LQWDUIZQYGICMM-CQSZACIVSA-N 1 1 276.380 1.865 20 10 CDCDMO CCn1nccc1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045802 774348215 /nfs/dbraw/zinc/34/82/15/774348215.db2.gz QJSDFGJOHKMHTL-MRXNPFEDSA-N 1 1 287.411 1.759 20 10 CDCDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000817412052 774353585 /nfs/dbraw/zinc/35/35/85/774353585.db2.gz BUZGNPVEKLVEHM-QWRGUYRKSA-N 1 1 279.336 1.571 20 10 CDCDMO COc1ccc(O)c(CN2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000131457268 774586042 /nfs/dbraw/zinc/58/60/42/774586042.db2.gz WXSGRLGZVMKQLB-PWSUYJOCSA-N 1 1 250.342 1.712 20 10 CDCDMO COc1c(O)c(C[NH2+]C[C@](C)(O)C2CC2)ccc1[N+](=O)[O-] ZINC000775013308 774622727 /nfs/dbraw/zinc/62/27/27/774622727.db2.gz UUWZSMDOPITOHQ-AWEZNQCLSA-N 1 1 296.323 1.560 20 10 CDCDMO CC[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(F)cc1O ZINC000796695565 774819747 /nfs/dbraw/zinc/81/97/47/774819747.db2.gz QDWMOGLHBMWWDF-YPMHNXCESA-N 1 1 269.316 1.987 20 10 CDCDMO CC(=O)NCC[N@@H+](C)Cc1c(O)cccc1Cl ZINC000308309815 774870917 /nfs/dbraw/zinc/87/09/17/774870917.db2.gz QPHNGHUCRQBPLP-UHFFFAOYSA-N 1 1 256.733 1.614 20 10 CDCDMO CC(=O)NCC[N@H+](C)Cc1c(O)cccc1Cl ZINC000308309815 774870918 /nfs/dbraw/zinc/87/09/18/774870918.db2.gz QPHNGHUCRQBPLP-UHFFFAOYSA-N 1 1 256.733 1.614 20 10 CDCDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000855162046 775122705 /nfs/dbraw/zinc/12/27/05/775122705.db2.gz UFSSTWHZKIDSFU-LLVKDONJSA-N 1 1 292.379 1.948 20 10 CDCDMO Cc1ccc(C[NH+]2CCN(CC(C)(C)O)CC2)c(O)c1 ZINC000876679178 775287390 /nfs/dbraw/zinc/28/73/90/775287390.db2.gz NAHRVKZQJUALIK-UHFFFAOYSA-N 1 1 278.396 1.589 20 10 CDCDMO C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000922055265 775495098 /nfs/dbraw/zinc/49/50/98/775495098.db2.gz OGTAQPLCLBKDRX-SWLSCSKDSA-N 1 1 290.411 1.817 20 10 CDCDMO COCC[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708453469 775498325 /nfs/dbraw/zinc/49/83/25/775498325.db2.gz GWFJICAOVBXYKQ-SNVBAGLBSA-N 1 1 261.268 1.157 20 10 CDCDMO Cc1ccc(C[N@H+]2CCc3c(ncn3C)C2)c(O)c1 ZINC000876514575 775941852 /nfs/dbraw/zinc/94/18/52/775941852.db2.gz QQFMPQSRMQQWRO-UHFFFAOYSA-N 1 1 257.337 1.992 20 10 CDCDMO Cc1ccc(C[N@@H+]2CCc3c(ncn3C)C2)c(O)c1 ZINC000876514575 775941868 /nfs/dbraw/zinc/94/18/68/775941868.db2.gz QQFMPQSRMQQWRO-UHFFFAOYSA-N 1 1 257.337 1.992 20 10 CDCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1(C)COC1 ZINC000863296488 776237129 /nfs/dbraw/zinc/23/71/29/776237129.db2.gz MUGQHTAVYPRZBC-ZDUSSCGKSA-N 1 1 279.336 1.286 20 10 CDCDMO Cc1ccc(CN2CCC([N@@H+](C)CCCO)CC2)c(O)c1 ZINC000876736427 776301644 /nfs/dbraw/zinc/30/16/44/776301644.db2.gz LADUERHMDFICAD-UHFFFAOYSA-N 1 1 292.423 1.979 20 10 CDCDMO COc1cccc(O)c1CN1CCC(C)([NH3+])CC1 ZINC000843103471 776315504 /nfs/dbraw/zinc/31/55/04/776315504.db2.gz BOXPCTIGFODSAN-UHFFFAOYSA-N 1 1 250.342 1.714 20 10 CDCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1(O)CCOCC1 ZINC000790958854 776317119 /nfs/dbraw/zinc/31/71/19/776317119.db2.gz BMHAYRLCIWVVFT-UHFFFAOYSA-N 1 1 289.734 1.816 20 10 CDCDMO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(O)c1O ZINC000781015562 776686506 /nfs/dbraw/zinc/68/65/06/776686506.db2.gz WXFIDDHGQBWNPL-WDEREUQCSA-N 1 1 278.352 1.571 20 10 CDCDMO Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(O)c1O ZINC000781015562 776686514 /nfs/dbraw/zinc/68/65/14/776686514.db2.gz WXFIDDHGQBWNPL-WDEREUQCSA-N 1 1 278.352 1.571 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1 ZINC000827699118 776828778 /nfs/dbraw/zinc/82/87/78/776828778.db2.gz FFRGTTWZIBJZOE-IAQYHMDHSA-N 1 1 265.353 1.851 20 10 CDCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cccc2OC)[C@@H]1C ZINC000787421507 777048132 /nfs/dbraw/zinc/04/81/32/777048132.db2.gz STHJNGAUVINHGA-GHMZBOCLSA-N 1 1 279.336 1.784 20 10 CDCDMO COCC[C@@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886604991 777058432 /nfs/dbraw/zinc/05/84/32/777058432.db2.gz HJSRVFWNDSIJIQ-UWVGGRQHSA-N 1 1 257.305 1.579 20 10 CDCDMO Cc1cccc(O)c1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000877332000 777289180 /nfs/dbraw/zinc/28/91/80/777289180.db2.gz WLXVOZLDHKWTHR-ZDUSSCGKSA-N 1 1 262.353 1.217 20 10 CDCDMO COc1ccc(N2CCC([NH2+]C[C@@H](C)N)CC2)cc1 ZINC000817971533 777621762 /nfs/dbraw/zinc/62/17/62/777621762.db2.gz NUUPSEKMOMUVSQ-GFCCVEGCSA-N 1 1 263.385 1.601 20 10 CDCDMO Cc1cc(Cl)cc([C@H](C)NC[C@H](O)C[NH+](C)C)c1O ZINC000808693997 777727787 /nfs/dbraw/zinc/72/77/87/777727787.db2.gz XHULROOXHYNYJO-JQWIXIFHSA-N 1 1 286.803 1.927 20 10 CDCDMO Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c(O)c1O ZINC000817679120 777781967 /nfs/dbraw/zinc/78/19/67/777781967.db2.gz RCSFOWIEVXEBDL-LLVKDONJSA-N 1 1 278.352 1.572 20 10 CDCDMO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000810173352 778041921 /nfs/dbraw/zinc/04/19/21/778041921.db2.gz ATWSXHJFCKVLAG-HUUCEWRRSA-N 1 1 291.439 1.951 20 10 CDCDMO CCCC[C@H](C[NH3+])NCc1cc2c(cc1O)OCO2 ZINC000841029230 778069998 /nfs/dbraw/zinc/06/99/98/778069998.db2.gz MVKZDSKSPMRWFS-LLVKDONJSA-N 1 1 266.341 1.728 20 10 CDCDMO COc1cccc(C[N@H+]2CC[C@H](CCCO)C2)c1O ZINC000825338006 778201988 /nfs/dbraw/zinc/20/19/88/778201988.db2.gz KTQLPUXQEJCPMY-LBPRGKRZSA-N 1 1 265.353 1.995 20 10 CDCDMO COc1cccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827141579 778344888 /nfs/dbraw/zinc/34/48/88/778344888.db2.gz UVTMFRYBEVQSLH-WCQYABFASA-N 1 1 290.363 1.501 20 10 CDCDMO CC[NH+]1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841961283 778360080 /nfs/dbraw/zinc/36/00/80/778360080.db2.gz DOLIUCFSLFDVJD-UHFFFAOYSA-N 1 1 276.384 1.158 20 10 CDCDMO Cc1ccc(O)c(CNC(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000925432930 778404949 /nfs/dbraw/zinc/40/49/49/778404949.db2.gz ZZSMTTDGEZRHIX-GFCCVEGCSA-N 1 1 263.341 1.204 20 10 CDCDMO COc1c(O)c(C[NH2+][C@H]2CO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000843431798 778461335 /nfs/dbraw/zinc/46/13/35/778461335.db2.gz DSYVIHIFNVQZQG-WCBMZHEXSA-N 1 1 282.296 1.576 20 10 CDCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000179863170 778473519 /nfs/dbraw/zinc/47/35/19/778473519.db2.gz WEXXYABQIHURMB-AWEZNQCLSA-N 1 1 276.380 1.744 20 10 CDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000179863170 778473542 /nfs/dbraw/zinc/47/35/42/778473542.db2.gz WEXXYABQIHURMB-AWEZNQCLSA-N 1 1 276.380 1.744 20 10 CDCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CO)C3)cc2)CC1 ZINC000775669059 778662578 /nfs/dbraw/zinc/66/25/78/778662578.db2.gz DDUGKDPSCLJBKH-MRXNPFEDSA-N 1 1 289.423 1.253 20 10 CDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](CO)C3)cc2)CC1 ZINC000775669059 778662590 /nfs/dbraw/zinc/66/25/90/778662590.db2.gz DDUGKDPSCLJBKH-MRXNPFEDSA-N 1 1 289.423 1.253 20 10 CDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@H](CO)C3)cc2)CC1 ZINC000775669059 778662611 /nfs/dbraw/zinc/66/26/11/778662611.db2.gz DDUGKDPSCLJBKH-MRXNPFEDSA-N 1 1 289.423 1.253 20 10 CDCDMO Cc1cc(O)c(C[N@H+]2C[C@H](CO)OC(C)(C)C2)cc1C ZINC000817412305 778705358 /nfs/dbraw/zinc/70/53/58/778705358.db2.gz IOEHEQHSINSJSZ-CQSZACIVSA-N 1 1 279.380 1.981 20 10 CDCDMO CN(Cc1c(O)ccc(Cl)c1F)[C@@H]1CC[NH2+]C1 ZINC000843049359 779034686 /nfs/dbraw/zinc/03/46/86/779034686.db2.gz LNSUVXPCUCRKCZ-MRVPVSSYSA-N 1 1 258.724 1.978 20 10 CDCDMO CN(C)c1ccc(C[NH2+]Cc2cn(C)cn2)cc1F ZINC000808384074 779098390 /nfs/dbraw/zinc/09/83/90/779098390.db2.gz ARGYAMSUVXYMBS-UHFFFAOYSA-N 1 1 262.332 1.915 20 10 CDCDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@@H]2N1 ZINC000827132759 779206074 /nfs/dbraw/zinc/20/60/74/779206074.db2.gz OFIFAWZOQHSRKG-MFKMUULPSA-N 1 1 278.327 1.632 20 10 CDCDMO CCc1cccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)c1O ZINC000848906007 779274280 /nfs/dbraw/zinc/27/42/80/779274280.db2.gz PLVLKWHZYHQMFR-RISCZKNCSA-N 1 1 265.353 1.536 20 10 CDCDMO [NH3+][C@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000390301010 779358757 /nfs/dbraw/zinc/35/87/57/779358757.db2.gz CNGQGRCHMANUJE-VIFPVBQESA-N 1 1 271.158 1.688 20 10 CDCDMO COc1ccc(O)c(CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC000114543503 779438632 /nfs/dbraw/zinc/43/86/32/779438632.db2.gz GAGOXIGOJHKWOL-UHFFFAOYSA-N 1 1 266.341 1.357 20 10 CDCDMO CN1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816548825 779500946 /nfs/dbraw/zinc/50/09/46/779500946.db2.gz UMELMSHVPSCHSQ-SECBINFHSA-N 1 1 258.724 1.978 20 10 CDCDMO Cc1cccc(C[N@@H+](C)C[C@@H]2COCCO2)c1O ZINC000827140596 779651162 /nfs/dbraw/zinc/65/11/62/779651162.db2.gz LYODELCCRDBGAL-CYBMUJFWSA-N 1 1 251.326 1.548 20 10 CDCDMO Cc1[nH+]ccn1CC(=O)NCc1cc(Cl)ccc1O ZINC000857548512 779836434 /nfs/dbraw/zinc/83/64/34/779836434.db2.gz MAJHZYNPSKGDPS-UHFFFAOYSA-N 1 1 279.727 1.867 20 10 CDCDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C)c(O)c2O)C1 ZINC000780918478 780083601 /nfs/dbraw/zinc/08/36/01/780083601.db2.gz UXPNTFYYXQBKFC-GFCCVEGCSA-N 1 1 292.379 1.868 20 10 CDCDMO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC001140055993 894764995 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/nfs/dbraw/zinc/71/17/15/939711715.db2.gz YXLJXQSWPHDHII-UHFFFAOYSA-N 1 1 272.304 1.757 20 10 CDCDMO CC[N@H+]1CCCN(Cc2ccc(O)cc2O)CC1 ZINC001204271708 939750409 /nfs/dbraw/zinc/75/04/09/939750409.db2.gz CFMHHROXAGQGHO-UHFFFAOYSA-N 1 1 250.342 1.625 20 10 CDCDMO CCN1CCC[N@H+](Cc2ccc(O)cc2O)CC1 ZINC001204271708 939750413 /nfs/dbraw/zinc/75/04/13/939750413.db2.gz CFMHHROXAGQGHO-UHFFFAOYSA-N 1 1 250.342 1.625 20 10 CDCDMO CCN1CCC[N@@H+](Cc2ccc(O)cc2O)CC1 ZINC001204271708 939750414 /nfs/dbraw/zinc/75/04/14/939750414.db2.gz CFMHHROXAGQGHO-UHFFFAOYSA-N 1 1 250.342 1.625 20 10 CDCDMO COc1cc(C[N@H+]2CC[C@](C)(CO)C2)cc(O)c1O ZINC001204343842 939757595 /nfs/dbraw/zinc/75/75/95/939757595.db2.gz TTYDTEVCMVCOIT-AWEZNQCLSA-N 1 1 267.325 1.311 20 10 CDCDMO COc1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)cc(O)c1O ZINC001204344803 939758292 /nfs/dbraw/zinc/75/82/92/939758292.db2.gz ZBRZEBNOEUAGTL-KOLCDFICSA-N 1 1 267.325 1.309 20 10 CDCDMO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001205229852 939839815 /nfs/dbraw/zinc/83/98/15/939839815.db2.gz PVDXTSQQKVPGJF-CQSZACIVSA-N 1 1 284.787 1.721 20 10 CDCDMO [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001205229852 939839818 /nfs/dbraw/zinc/83/98/18/939839818.db2.gz PVDXTSQQKVPGJF-CQSZACIVSA-N 1 1 284.787 1.721 20 10 CDCDMO CC(C)c1ccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205972759 939961890 /nfs/dbraw/zinc/96/18/90/939961890.db2.gz ARVOESOFKOROFF-UKRRQHHQSA-N 1 1 264.369 1.410 20 10 CDCDMO Cc1cccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)c1O ZINC001206183063 939993177 /nfs/dbraw/zinc/99/31/77/939993177.db2.gz FETYTILFGQIPHI-CHWSQXEVSA-N 1 1 252.333 1.962 20 10 CDCDMO Cc1cccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c1O ZINC001206183063 939993180 /nfs/dbraw/zinc/99/31/80/939993180.db2.gz FETYTILFGQIPHI-CHWSQXEVSA-N 1 1 252.333 1.962 20 10 CDCDMO C[N@H+]1CCC2(CN(C(=O)c3ccc(O)c(O)c3Cl)C2)C1 ZINC001276527142 940184965 /nfs/dbraw/zinc/18/49/65/940184965.db2.gz GXWFPROCEXDLRH-UHFFFAOYSA-N 1 1 296.754 1.529 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3C[C@]32C(N)=O)cc1 ZINC001276958986 941734015 /nfs/dbraw/zinc/73/40/15/941734015.db2.gz XQDDUTQFXRHWFH-SWLSCSKDSA-N 1 1 259.353 1.202 20 10 CDCDMO COc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1F ZINC001277009924 941810064 /nfs/dbraw/zinc/81/00/64/941810064.db2.gz OWKYWCGIRRGSJC-OCCSQVGLSA-N 1 1 266.316 1.354 20 10 CDCDMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC001231594516 942939365 /nfs/dbraw/zinc/93/93/65/942939365.db2.gz KAUHHUQLFHQMDV-CQSZACIVSA-N 1 1 262.353 1.753 20 10 CDCDMO COc1cc(CN2CCn3c(C)[nH+]cc3C2)c(O)cc1O ZINC001231633685 942949529 /nfs/dbraw/zinc/94/95/29/942949529.db2.gz SUTJEFBSOXPRNN-UHFFFAOYSA-N 1 1 289.335 1.627 20 10 CDCDMO COc1cc(C[N@H+]2CCC[C@H](C(C)=O)C2)c(O)cc1O ZINC001231637340 942954238 /nfs/dbraw/zinc/95/42/38/942954238.db2.gz JLWDDXPEHRWZED-NSHDSACASA-N 1 1 279.336 1.907 20 10 CDCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(OC)c(O)cc2O)C[C@@H]1C ZINC001231639856 942955986 /nfs/dbraw/zinc/95/59/86/942955986.db2.gz MCIPWMIDWZVUQX-ONGXEEELSA-N 1 1 295.335 1.347 20 10 CDCDMO COc1cc(N(C)C)ccc1CN(C)[C@@H]1CC[N@@H+](C)C1 ZINC001231854066 943032124 /nfs/dbraw/zinc/03/21/24/943032124.db2.gz YBATXGNAAMLAKO-OAHLLOKOSA-N 1 1 277.412 1.897 20 10 CDCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c1O ZINC001233287505 943531405 /nfs/dbraw/zinc/53/14/05/943531405.db2.gz SYDWESBJMAJTLH-GHMZBOCLSA-N 1 1 289.734 1.959 20 10 CDCDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1O)C[C@H](O)CO ZINC001233416423 943581707 /nfs/dbraw/zinc/58/17/07/943581707.db2.gz HMCLKCXAGBZNSQ-VIFPVBQESA-N 1 1 279.258 1.196 20 10 CDCDMO C[N@H+](Cc1cccc(C(F)(F)F)c1O)C[C@H](O)CO ZINC001233416423 943581710 /nfs/dbraw/zinc/58/17/10/943581710.db2.gz HMCLKCXAGBZNSQ-VIFPVBQESA-N 1 1 279.258 1.196 20 10 CDCDMO C[C@H]1CCC[N@@H+](Cc2cc(O)c(O)cc2O)[C@@H]1CO ZINC001233482778 943590517 /nfs/dbraw/zinc/59/05/17/943590517.db2.gz BRJNPSFQMNVNMS-GXSJLCMTSA-N 1 1 267.325 1.396 20 10 CDCDMO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233482750 943591425 /nfs/dbraw/zinc/59/14/25/943591425.db2.gz ATUVDJXOVBLBDN-ZJUUUORDSA-N 1 1 267.325 1.396 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCCO1 ZINC001233482992 943591509 /nfs/dbraw/zinc/59/15/09/943591509.db2.gz KEBSBWJGHIOOPV-SECBINFHSA-N 1 1 253.298 1.414 20 10 CDCDMO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485760 943594580 /nfs/dbraw/zinc/59/45/80/943594580.db2.gz JUXMSDBGCNDVPP-ONGXEEELSA-N 1 1 295.335 1.434 20 10 CDCDMO [O-]c1c(Cl)cc(F)cc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234989613 943997347 /nfs/dbraw/zinc/99/73/47/943997347.db2.gz ASOHKRREROLKRW-CQSZACIVSA-N 1 1 299.777 1.322 20 10 CDCDMO CCc1ccc(C[N@H+]2CCN(C)[C@H](C(=O)OC)C2)c(O)c1 ZINC001236792369 944571223 /nfs/dbraw/zinc/57/12/23/944571223.db2.gz QFYIHCDMJWKKGE-AWEZNQCLSA-N 1 1 292.379 1.244 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](NC(C)=O)C2)c(Cl)c1 ZINC001236808613 944575364 /nfs/dbraw/zinc/57/53/64/944575364.db2.gz PUMDZDAZVKEWAW-SNVBAGLBSA-N 1 1 298.770 1.765 20 10 CDCDMO COc1cc(C)c(C[N@H+]2CCN(C(C)=O)C[C@@H]2C)c(O)c1 ZINC001236820513 944581609 /nfs/dbraw/zinc/58/16/09/944581609.db2.gz MKTGXMZMVRWABA-LBPRGKRZSA-N 1 1 292.379 1.762 20 10 CDCDMO CC(=O)NC1C[NH+](Cc2cc3ccccc3cc2O)C1 ZINC001236834690 944588375 /nfs/dbraw/zinc/58/83/75/944588375.db2.gz AVBFLRQMNIUAFX-UHFFFAOYSA-N 1 1 270.332 1.866 20 10 CDCDMO CC(C)c1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c(O)c1 ZINC001237046632 944646770 /nfs/dbraw/zinc/64/67/70/944646770.db2.gz UFZNGNLUSNZHNP-ZBFHGGJFSA-N 1 1 279.380 1.691 20 10 CDCDMO Cc1cccc(O)c1C[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001237485436 944810236 /nfs/dbraw/zinc/81/02/36/944810236.db2.gz PDQPXXMRJPPWQN-NWDGAFQWSA-N 1 1 253.317 1.853 20 10 CDCDMO COc1cc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c(O)c(OC)c1 ZINC001237675475 944921414 /nfs/dbraw/zinc/92/14/14/944921414.db2.gz XVLHXWDXQJYKTK-JQWIXIFHSA-N 1 1 299.342 1.562 20 10 CDCDMO COc1cc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)c(O)c(OC)c1 ZINC001237675475 944921422 /nfs/dbraw/zinc/92/14/22/944921422.db2.gz XVLHXWDXQJYKTK-JQWIXIFHSA-N 1 1 299.342 1.562 20 10 CDCDMO Cc1cc(F)cc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c1O ZINC001238057167 945041855 /nfs/dbraw/zinc/04/18/55/945041855.db2.gz JDGGNEUNNLFSLS-NWDGAFQWSA-N 1 1 257.280 1.744 20 10 CDCDMO Cc1cc(F)cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC001238069002 945047605 /nfs/dbraw/zinc/04/76/05/945047605.db2.gz HLRXZYPWMNYBAK-CYBMUJFWSA-N 1 1 278.327 1.646 20 10 CDCDMO Cc1cc(F)cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC001238069002 945047613 /nfs/dbraw/zinc/04/76/13/945047613.db2.gz HLRXZYPWMNYBAK-CYBMUJFWSA-N 1 1 278.327 1.646 20 10 CDCDMO Cc1cc(F)cc(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)c1O ZINC001238071692 945050733 /nfs/dbraw/zinc/05/07/33/945050733.db2.gz ZHUDAYVJAZGLGA-CQSZACIVSA-N 1 1 294.370 1.745 20 10 CDCDMO COC(=O)Cc1ccc(C[N@@H+]2CCC23COC3)c(O)c1 ZINC001249201272 949451447 /nfs/dbraw/zinc/45/14/47/949451447.db2.gz MLLRQPSENUFJHK-UHFFFAOYSA-N 1 1 277.320 1.082 20 10 CDCDMO COC(=O)Cc1ccc(C[N@H+]2CCC23COC3)c(O)c1 ZINC001249201272 949451470 /nfs/dbraw/zinc/45/14/70/949451470.db2.gz MLLRQPSENUFJHK-UHFFFAOYSA-N 1 1 277.320 1.082 20 10 CDCDMO C[C@@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CCN1C ZINC001324693843 953523923 /nfs/dbraw/zinc/52/39/23/953523923.db2.gz RUCRDIQNPWTGDK-MRVPVSSYSA-N 1 1 268.288 1.013 20 10 CDCDMO COCCO[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308688585 956565155 /nfs/dbraw/zinc/56/51/55/956565155.db2.gz JTXFYCUQOIGTHG-LLVKDONJSA-N 1 1 287.306 1.908 20 10 CDCDMO COCCO[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308688585 956565169 /nfs/dbraw/zinc/56/51/69/956565169.db2.gz JTXFYCUQOIGTHG-LLVKDONJSA-N 1 1 287.306 1.908 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC001308773951 956579148 /nfs/dbraw/zinc/57/91/48/956579148.db2.gz CKMWRYWQOGLKCR-RISCZKNCSA-N 1 1 262.353 1.537 20 10 CDCDMO COc1ccc(O)c(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC001308773951 956579155 /nfs/dbraw/zinc/57/91/55/956579155.db2.gz CKMWRYWQOGLKCR-RISCZKNCSA-N 1 1 262.353 1.537 20 10 CDCDMO COc1ccc(O)c(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC001308773951 956579160 /nfs/dbraw/zinc/57/91/60/956579160.db2.gz CKMWRYWQOGLKCR-RISCZKNCSA-N 1 1 262.353 1.537 20 10 CDCDMO COc1ccc(N2CCCN(c3cc(N)[nH+]cn3)CC2)cc1 ZINC001321565879 959854232 /nfs/dbraw/zinc/85/42/32/959854232.db2.gz FBKGXZZIHWBJLK-UHFFFAOYSA-N 1 1 299.378 1.784 20 10 CDCDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001335726728 959992643 /nfs/dbraw/zinc/99/26/43/959992643.db2.gz WRCVGTCKTWMKGW-AWEZNQCLSA-N 1 1 290.411 1.752 20 10 CDCDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC001356228817 969360781 /nfs/dbraw/zinc/36/07/81/969360781.db2.gz VDLSJTXOJPHEFC-CQSZACIVSA-N 1 1 261.369 1.759 20 10 CDCDMO C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001593207342 994217279 /nfs/dbraw/zinc/21/72/79/994217279.db2.gz CIYZQAXEWNNKOO-QPUJVOFHSA-N 1 1 264.325 1.478 20 10 CDCDMO CC(=O)c1cc(F)cc(C[N@H+](C)CC(C)(CO)CO)c1[O-] ZINC000135931369 361773109 /nfs/dbraw/zinc/77/31/09/361773109.db2.gz XMZUZHYBPLAVDC-UHFFFAOYSA-N 1 1 299.342 1.157 20 10 CDCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CC(C)(CO)CO)c1O ZINC000135931369 361773118 /nfs/dbraw/zinc/77/31/18/361773118.db2.gz XMZUZHYBPLAVDC-UHFFFAOYSA-N 1 1 299.342 1.157 20 10 CDCDMO Cc1ccc(O)c(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000188747249 357933420 /nfs/dbraw/zinc/93/34/20/357933420.db2.gz IHXUCYMHJGJQSH-AWEZNQCLSA-N 1 1 292.423 1.978 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CCN(CC(C)(C)O)C[C@@H]2C)c1 ZINC000188747249 357933422 /nfs/dbraw/zinc/93/34/22/357933422.db2.gz IHXUCYMHJGJQSH-AWEZNQCLSA-N 1 1 292.423 1.978 20 10 CDCDMO Cc1ccc(O)c(C[N@@H+]2CCN(CC(C)(C)O)C[C@@H]2C)c1 ZINC000188747249 357933427 /nfs/dbraw/zinc/93/34/27/357933427.db2.gz IHXUCYMHJGJQSH-AWEZNQCLSA-N 1 1 292.423 1.978 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)c1 ZINC000277588876 366533835 /nfs/dbraw/zinc/53/38/35/366533835.db2.gz UQUXAIGDQYQMCE-SGTLLEGYSA-N 1 1 267.394 1.901 20 10 CDCDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000235743374 361168111 /nfs/dbraw/zinc/16/81/11/361168111.db2.gz 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ZMFUMJBOZDXVHP-NSHDSACASA-N 1 1 252.289 1.242 20 10 CDCDMO Cc1cc(O)c(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1C ZINC000091864518 260487293 /nfs/dbraw/zinc/48/72/93/260487293.db2.gz VTHFLRZCXPUERP-ZDUSSCGKSA-N 1 1 275.352 1.218 20 10 CDCDMO NC(=O)[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000157159838 261141570 /nfs/dbraw/zinc/14/15/70/261141570.db2.gz ASXHBPFXXRXYSV-QMMMGPOBSA-N 1 1 254.717 1.353 20 10 CDCDMO CC1(C)C(=O)NCCN1Cc1cccc(F)c1[O-] ZINC000272284474 328199610 /nfs/dbraw/zinc/19/96/10/328199610.db2.gz NDHFDBAWQYFDIE-UHFFFAOYSA-N 1 1 252.289 1.242 20 10 CDCDMO Oc1ccccc1CNc1c[nH+]ccc1-n1ccnn1 ZINC000377398796 329014217 /nfs/dbraw/zinc/01/42/17/329014217.db2.gz CXLHLLNHBSGCDI-UHFFFAOYSA-N 1 1 267.292 1.980 20 10 CDCDMO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000377831695 329031279 /nfs/dbraw/zinc/03/12/79/329031279.db2.gz APLPYXOERZSJGP-LBPRGKRZSA-N 1 1 265.309 1.156 20 10 CDCDMO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccccc1O ZINC000377831695 329031280 /nfs/dbraw/zinc/03/12/80/329031280.db2.gz APLPYXOERZSJGP-LBPRGKRZSA-N 1 1 265.309 1.156 20 10 CDCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1COCCN1 ZINC000530246864 333529724 /nfs/dbraw/zinc/52/97/24/333529724.db2.gz LMBWXKARMLDSOL-MRVPVSSYSA-N 1 1 274.723 1.263 20 10 CDCDMO CCOCCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278829158 519897827 /nfs/dbraw/zinc/89/78/27/519897827.db2.gz IMNVGTSHFXRMQK-UHFFFAOYSA-N 1 1 284.312 1.825 20 10 CDCDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000276512647 521655786 /nfs/dbraw/zinc/65/57/86/521655786.db2.gz DYOFCGLOLQKXSI-VIFPVBQESA-N 1 1 282.315 1.451 20 10 CDCDMO COc1c(O)c(C[N@H+]2CCOC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000364857216 521869737 /nfs/dbraw/zinc/86/97/37/521869737.db2.gz KFMQMPVRBKXUIE-SNVBAGLBSA-N 1 1 296.323 1.777 20 10 CDCDMO COc1c(O)c(C[N@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278194998 521871404 /nfs/dbraw/zinc/87/14/04/521871404.db2.gz IMSFCEJQARYUSB-SNVBAGLBSA-N 1 1 296.323 1.920 20 10 CDCDMO COc1c(O)c(C[N@@H+](CCO)C2CC2)ccc1[N+](=O)[O-] ZINC000278161746 521871965 /nfs/dbraw/zinc/87/19/65/521871965.db2.gz DOOBRTFEWRJYQV-UHFFFAOYSA-N 1 1 282.296 1.266 20 10 CDCDMO CN1CCN(CCC[N@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000289505827 522755000 /nfs/dbraw/zinc/75/50/00/522755000.db2.gz UEOWVIBWVHMUCT-UHFFFAOYSA-N 1 1 295.402 1.601 20 10 CDCDMO CN1CCN(CCC[N@@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000289505827 522755009 /nfs/dbraw/zinc/75/50/09/522755009.db2.gz UEOWVIBWVHMUCT-UHFFFAOYSA-N 1 1 295.402 1.601 20 10 CDCDMO CC[C@@H]([NH2+][C@@H](CO)COC)c1ccc(F)cc1O ZINC000290076156 522920067 /nfs/dbraw/zinc/92/00/67/522920067.db2.gz GMOSFRRARKXJMD-CMPLNLGQSA-N 1 1 257.305 1.579 20 10 CDCDMO CC[C@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278480319 523460423 /nfs/dbraw/zinc/46/04/23/523460423.db2.gz JHMIDJVUXJPFEA-CQSZACIVSA-N 1 1 298.339 1.950 20 10 CDCDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000093899020 524080528 /nfs/dbraw/zinc/08/05/28/524080528.db2.gz YDXALPJZYHLQJO-LBPRGKRZSA-N 1 1 264.369 1.823 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000276754792 524744103 /nfs/dbraw/zinc/74/41/03/524744103.db2.gz FZWPHYMSYWGNTH-ZDUSSCGKSA-N 1 1 290.363 1.598 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1CO ZINC000276724662 524996105 /nfs/dbraw/zinc/99/61/05/524996105.db2.gz AOGAFNCAKKULDF-YPMHNXCESA-N 1 1 266.360 1.952 20 10 CDCDMO O=C(NCC[NH+]1CCSCC1)NCc1ccccc1O ZINC000264781112 526323498 /nfs/dbraw/zinc/32/34/98/526323498.db2.gz BQGXFBKGAGVARL-UHFFFAOYSA-N 1 1 295.408 1.240 20 10 CDCDMO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)c(O)c1 ZINC000769326822 576345987 /nfs/dbraw/zinc/34/59/87/576345987.db2.gz HUKUIBPUTHTDGQ-HNNXBMFYSA-N 1 1 292.379 1.747 20 10 CDCDMO CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)c(O)c1 ZINC000769326822 576345988 /nfs/dbraw/zinc/34/59/88/576345988.db2.gz HUKUIBPUTHTDGQ-HNNXBMFYSA-N 1 1 292.379 1.747 20 10 CDCDMO CCOc1ccc(C[N@@H+]2CCO[C@H](COC)C2)c(O)c1 ZINC000769460477 576355875 /nfs/dbraw/zinc/35/58/75/576355875.db2.gz JRXWRXKISDMXPI-AWEZNQCLSA-N 1 1 281.352 1.638 20 10 CDCDMO CCOc1ccc(C[N@H+]2CCO[C@H](COC)C2)c(O)c1 ZINC000769460477 576355877 /nfs/dbraw/zinc/35/58/77/576355877.db2.gz JRXWRXKISDMXPI-AWEZNQCLSA-N 1 1 281.352 1.638 20 10 CDCDMO CN1CCO[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]21 ZINC000769484165 576358177 /nfs/dbraw/zinc/35/81/77/576358177.db2.gz SMAHRYVYNGUWAL-OCCSQVGLSA-N 1 1 282.771 1.560 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)C2CC2)c1 ZINC000756570594 576996485 /nfs/dbraw/zinc/99/64/85/576996485.db2.gz WSCJUJRPTKFOKT-QFYYESIMSA-N 1 1 293.363 1.990 20 10 CDCDMO Cc1ccc(O)c(C[N@H+](C)CCNC(=O)N(C)C)c1 ZINC000757865014 577058539 /nfs/dbraw/zinc/05/85/39/577058539.db2.gz JZBXHMUBYQPVLP-UHFFFAOYSA-N 1 1 265.357 1.404 20 10 CDCDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000040620423 617443067 /nfs/dbraw/zinc/44/30/67/617443067.db2.gz MECQABBKHXLVDN-AWEZNQCLSA-N 1 1 275.396 1.658 20 10 CDCDMO COc1ccc(C[N@@H+](C)CCCCO)c(O)c1OC ZINC000893949635 618217170 /nfs/dbraw/zinc/21/71/70/618217170.db2.gz TZTJIBSPRYFKKG-UHFFFAOYSA-N 1 1 269.341 1.614 20 10 CDCDMO CC1(NCc2cc3c(cc2O)OCO3)CC[NH2+]CC1 ZINC000841065620 618679845 /nfs/dbraw/zinc/67/98/45/618679845.db2.gz RILYDSVQNZZUCK-UHFFFAOYSA-N 1 1 264.325 1.353 20 10 CDCDMO C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)[C@H]1CO ZINC000894535243 618946794 /nfs/dbraw/zinc/94/67/94/618946794.db2.gz XSCGLRUSTLZYDO-UFBFGSQYSA-N 1 1 257.280 1.873 20 10 CDCDMO C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)[C@H]1CO ZINC000894535243 618946797 /nfs/dbraw/zinc/94/67/97/618946797.db2.gz XSCGLRUSTLZYDO-UFBFGSQYSA-N 1 1 257.280 1.873 20 10 CDCDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(OC)c(OC)c1O ZINC000894640632 619001383 /nfs/dbraw/zinc/00/13/83/619001383.db2.gz GPCJHRJNAXTMTR-ZDUSSCGKSA-N 1 1 294.395 1.935 20 10 CDCDMO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894640632 619001384 /nfs/dbraw/zinc/00/13/84/619001384.db2.gz GPCJHRJNAXTMTR-ZDUSSCGKSA-N 1 1 294.395 1.935 20 10 CDCDMO CC[C@H]1CN(C)CC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894640632 619001385 /nfs/dbraw/zinc/00/13/85/619001385.db2.gz GPCJHRJNAXTMTR-ZDUSSCGKSA-N 1 1 294.395 1.935 20 10 CDCDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(OC)c(OC)c1O ZINC000894640630 619001447 /nfs/dbraw/zinc/00/14/47/619001447.db2.gz GPCJHRJNAXTMTR-CYBMUJFWSA-N 1 1 294.395 1.935 20 10 CDCDMO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894640630 619001448 /nfs/dbraw/zinc/00/14/48/619001448.db2.gz GPCJHRJNAXTMTR-CYBMUJFWSA-N 1 1 294.395 1.935 20 10 CDCDMO CC[C@@H]1CN(C)CC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894640630 619001450 /nfs/dbraw/zinc/00/14/50/619001450.db2.gz GPCJHRJNAXTMTR-CYBMUJFWSA-N 1 1 294.395 1.935 20 10 CDCDMO COc1cccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000895784799 619841418 /nfs/dbraw/zinc/84/14/18/619841418.db2.gz MMIMCOYMRYMGTD-UHTWSYAYSA-N 1 1 263.337 1.604 20 10 CDCDMO CC[N@@H+](CCC(=O)NC)Cc1cccc(C)c1O ZINC000897710589 621084406 /nfs/dbraw/zinc/08/44/06/621084406.db2.gz XVXMGPKRXSIEGB-UHFFFAOYSA-N 1 1 250.342 1.659 20 10 CDCDMO CCOC[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045826 621588695 /nfs/dbraw/zinc/58/86/95/621588695.db2.gz QYEFEDNWTVKUMW-SWLSCSKDSA-N 1 1 265.401 1.767 20 10 CDCDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCCc1ccc(N)cc1)CC2 ZINC000911783807 629500932 /nfs/dbraw/zinc/50/09/32/629500932.db2.gz ZBXSQEWSWSFUMG-CQSZACIVSA-N 1 1 298.390 1.695 20 10 CDCDMO CC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000916645137 632046918 /nfs/dbraw/zinc/04/69/18/632046918.db2.gz SHPJRPXVNDGCBO-AWEZNQCLSA-N 1 1 263.337 1.962 20 10 CDCDMO CC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000916645137 632046923 /nfs/dbraw/zinc/04/69/23/632046923.db2.gz SHPJRPXVNDGCBO-AWEZNQCLSA-N 1 1 263.337 1.962 20 10 CDCDMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000179691330 1182218557 /nfs/dbraw/zinc/21/85/57/1182218557.db2.gz DFXWYZOQVBVOLK-CQSZACIVSA-N 1 1 262.353 1.801 20 10 CDCDMO C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817937548 818263536 /nfs/dbraw/zinc/26/35/36/818263536.db2.gz XQBGEBMODWLWOG-LBPRGKRZSA-N 1 1 297.830 1.992 20 10 CDCDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000840957155 818276105 /nfs/dbraw/zinc/27/61/05/818276105.db2.gz GJDFRMYNZIDNHX-SNVBAGLBSA-N 1 1 282.771 1.956 20 10 CDCDMO c1cc(N2CCOCC2)ccc1C[N@H+](C1CC1)C1COC1 ZINC000824472564 818320745 /nfs/dbraw/zinc/32/07/45/818320745.db2.gz VDQYEJFJTSAOMR-UHFFFAOYSA-N 1 1 288.391 1.886 20 10 CDCDMO c1cc(N2CCOCC2)ccc1C[N@@H+](C1CC1)C1COC1 ZINC000824472564 818320756 /nfs/dbraw/zinc/32/07/56/818320756.db2.gz VDQYEJFJTSAOMR-UHFFFAOYSA-N 1 1 288.391 1.886 20 10 CDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000824576530 818338231 /nfs/dbraw/zinc/33/82/31/818338231.db2.gz NFHWBRGFHKKOQB-CYBMUJFWSA-N 1 1 278.352 1.973 20 10 CDCDMO CC1(C)C[NH2+]CC[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000841073055 818493798 /nfs/dbraw/zinc/49/37/98/818493798.db2.gz PJYUOJSBZJTBLU-AWEZNQCLSA-N 1 1 278.352 1.599 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2CCO)cc1OC ZINC000779202638 818539284 /nfs/dbraw/zinc/53/92/84/818539284.db2.gz RFONORADUBCHTR-GFCCVEGCSA-N 1 1 281.352 1.756 20 10 CDCDMO COC(=O)CN1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000785810158 818581576 /nfs/dbraw/zinc/58/15/76/818581576.db2.gz SNSRTLUZPGTSRG-UHFFFAOYSA-N 1 1 291.395 1.043 20 10 CDCDMO CO[C@@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000785561580 818721544 /nfs/dbraw/zinc/72/15/44/818721544.db2.gz YIVUWVHIZIXWKV-AWEZNQCLSA-N 1 1 277.412 1.563 20 10 CDCDMO O[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000816667956 818729089 /nfs/dbraw/zinc/72/90/89/818729089.db2.gz AOBIICZZWJQNEU-KRWDZBQOSA-N 1 1 290.407 1.870 20 10 CDCDMO CN(C)c1cc[nH+]c(N(C)Cc2ccccc2O)n1 ZINC000786796534 818962077 /nfs/dbraw/zinc/96/20/77/818962077.db2.gz GUZUAGHMDXZBBJ-UHFFFAOYSA-N 1 1 258.325 1.885 20 10 CDCDMO CCOc1cccc(C[N@@H+](C)CCC[NH2+]C)c1O ZINC000124792524 819010914 /nfs/dbraw/zinc/01/09/14/819010914.db2.gz GBCTXNSXNLZQDB-UHFFFAOYSA-N 1 1 252.358 1.832 20 10 CDCDMO CCOc1cccc(CN(C)CCC[NH2+]C)c1O ZINC000124792524 819010921 /nfs/dbraw/zinc/01/09/21/819010921.db2.gz GBCTXNSXNLZQDB-UHFFFAOYSA-N 1 1 252.358 1.832 20 10 CDCDMO CN1CCN(c2ccc(C[N@H+](C)CC(C)(C)O)cc2)CC1 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C[C@H](CCO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000776209410 819189684 /nfs/dbraw/zinc/18/96/84/819189684.db2.gz VOLNOQQNMOHZBJ-CQSZACIVSA-N 1 1 277.412 1.299 20 10 CDCDMO C[N@H+]1CCN(C(=O)Nc2ccc(N)cc2)CC1(C)C ZINC000104362891 819301360 /nfs/dbraw/zinc/30/13/60/819301360.db2.gz PBOGVIADPRIZBH-UHFFFAOYSA-N 1 1 262.357 1.827 20 10 CDCDMO CCOc1cccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c1O ZINC000190054722 819383624 /nfs/dbraw/zinc/38/36/24/819383624.db2.gz HQMYMKVUAUJYOH-YPMHNXCESA-N 1 1 265.353 1.994 20 10 CDCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2O)CC12COC2 ZINC000824490036 819811885 /nfs/dbraw/zinc/81/18/85/819811885.db2.gz SPNCBTOKMOCZJR-CYBMUJFWSA-N 1 1 291.347 1.404 20 10 CDCDMO COc1cccc(C[N@H+]2CCCC[C@H]2CNC(C)=O)c1O ZINC000877675487 819828466 /nfs/dbraw/zinc/82/84/66/819828466.db2.gz RISPDXWYSWEKCW-AWEZNQCLSA-N 1 1 292.379 1.891 20 10 CDCDMO COC1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877580781 819865668 /nfs/dbraw/zinc/86/56/68/819865668.db2.gz YJTSFVPEKUURHF-UHFFFAOYSA-N 1 1 276.380 1.478 20 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C[C@H]([NH2+]C[C@]1(O)CCOC1)c1c(O)cccc1F ZINC000886556977 832791325 /nfs/dbraw/zinc/79/13/25/832791325.db2.gz OFRSFNVNTMVQRI-TVQRCGJNSA-N 1 1 255.289 1.333 20 10 CDCDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000825278768 832791593 /nfs/dbraw/zinc/79/15/93/832791593.db2.gz IFYBRTVCYDAXLK-ZDUSSCGKSA-N 1 1 277.368 1.628 20 10 CDCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](C)O)cc1 ZINC000844401125 832805320 /nfs/dbraw/zinc/80/53/20/832805320.db2.gz HXAUYPBIFQIBSC-GFCCVEGCSA-N 1 1 252.358 1.444 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1 ZINC000249781506 832814699 /nfs/dbraw/zinc/81/46/99/832814699.db2.gz CYWPBHSFQUMRHU-GXFFZTMASA-N 1 1 251.326 1.604 20 10 CDCDMO COc1cccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1O ZINC000311701303 832837440 /nfs/dbraw/zinc/83/74/40/832837440.db2.gz MAJHWMPXYDRVRI-WCQYABFASA-N 1 1 262.353 1.585 20 10 CDCDMO CCOc1ccc(C[N@@H+](C)CC2CC(O)C2)c(O)c1 ZINC000785984242 833774348 /nfs/dbraw/zinc/77/43/48/833774348.db2.gz KLWLTEHBWNPETQ-UHFFFAOYSA-N 1 1 265.353 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Cc1c(/C=C/C(=O)N2CC[NH2+]Cc3ccccc32)cnn1C ZINC000493169651 253388512 /nfs/dbraw/zinc/38/85/12/253388512.db2.gz VXBWFUQGJAPUGU-BQYQJAHWSA-N 1 1 296.374 1.878 20 10 CDCDMO COc1cccc(C[N@H+]2CC[C@H](CC(N)=O)C2)c1O ZINC000368132106 267146476 /nfs/dbraw/zinc/14/64/76/267146476.db2.gz DNVYQNSYRQCYDT-SNVBAGLBSA-N 1 1 264.325 1.098 20 10 CDCDMO COc1cccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1O ZINC000282801576 328243474 /nfs/dbraw/zinc/24/34/74/328243474.db2.gz RYPAHYRTGFDTHD-LLVKDONJSA-N 1 1 285.365 1.020 20 10 CDCDMO COc1cccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c1O ZINC000282801576 328243475 /nfs/dbraw/zinc/24/34/75/328243475.db2.gz RYPAHYRTGFDTHD-LLVKDONJSA-N 1 1 285.365 1.020 20 10 CDCDMO COc1cccc(C[N@H+]2CC[C@H](NC(C)=O)C2)c1O ZINC000228357051 1161399395 /nfs/dbraw/zinc/39/93/95/1161399395.db2.gz LUFOLAQLIDFCAJ-LBPRGKRZSA-N 1 1 264.325 1.111 20 10 CDCDMO COC[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000211400524 522475143 /nfs/dbraw/zinc/47/51/43/522475143.db2.gz XPPZYGRDRRWSEA-LLVKDONJSA-N 1 1 251.326 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299.392 1.410 20 10 CDCDMO CCOc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000768138541 576260443 /nfs/dbraw/zinc/26/04/43/576260443.db2.gz OJSLYWNGWFVYQN-LBPRGKRZSA-N 1 1 299.392 1.410 20 10 CDCDMO CCOc1ccc(C[N@@H+](CC(N)=O)C(C)C)c(O)c1 ZINC000768179590 576262738 /nfs/dbraw/zinc/26/27/38/576262738.db2.gz GUDRUTWTXICUKY-UHFFFAOYSA-N 1 1 266.341 1.487 20 10 CDCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCSC1 ZINC000768466317 576287859 /nfs/dbraw/zinc/28/78/59/576287859.db2.gz YSXVPUUAGYEUKC-GWCFXTLKSA-N 1 1 281.377 1.755 20 10 CDCDMO CCOc1ccc(O)c(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000769205220 576337369 /nfs/dbraw/zinc/33/73/69/576337369.db2.gz FOFYSYTUKAGDHA-ZDUSSCGKSA-N 1 1 290.363 1.598 20 10 CDCDMO CCOc1ccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)c(O)c1 ZINC000763650791 576745429 /nfs/dbraw/zinc/74/54/29/576745429.db2.gz ZSUFWAZFAXNCCX-MPBGBICISA-N 1 1 297.420 1.991 20 10 CDCDMO CCOc1ccc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)c(O)c1 ZINC000763650791 576745432 /nfs/dbraw/zinc/74/54/32/576745432.db2.gz ZSUFWAZFAXNCCX-MPBGBICISA-N 1 1 297.420 1.991 20 10 CDCDMO COc1cccc(O)c1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000763646831 576745713 /nfs/dbraw/zinc/74/57/13/576745713.db2.gz COYWJUMGMHMFED-JEOXALJRSA-N 1 1 283.393 1.601 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000763646831 576745715 /nfs/dbraw/zinc/74/57/15/576745715.db2.gz COYWJUMGMHMFED-JEOXALJRSA-N 1 1 283.393 1.601 20 10 CDCDMO CN(C)c1ccc(C[N@@H+](CC(N)=O)C2CCCC2)cc1 ZINC000746153096 576757669 /nfs/dbraw/zinc/75/76/69/576757669.db2.gz QAZPEWYURLUFLI-UHFFFAOYSA-N 1 1 275.396 1.983 20 10 CDCDMO CCNC(=O)C[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000754722022 576912195 /nfs/dbraw/zinc/91/21/95/576912195.db2.gz AKBWWFIFLHTODL-UHFFFAOYSA-N 1 1 250.342 1.577 20 10 CDCDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)C(=O)N(C)C ZINC000756740412 577002605 /nfs/dbraw/zinc/00/26/05/577002605.db2.gz VRBOIMBYSCLNBB-JGVFFNPUSA-N 1 1 272.295 1.798 20 10 CDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891651402 617522639 /nfs/dbraw/zinc/52/26/39/617522639.db2.gz QLBPPIZOEAACEM-NSHDSACASA-N 1 1 295.335 1.404 20 10 CDCDMO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000893918960 618175942 /nfs/dbraw/zinc/17/59/42/618175942.db2.gz PSBQLZDDVQHVMH-LBPRGKRZSA-N 1 1 279.336 1.847 20 10 CDCDMO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000893918960 618175951 /nfs/dbraw/zinc/17/59/51/618175951.db2.gz PSBQLZDDVQHVMH-LBPRGKRZSA-N 1 1 279.336 1.847 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](CCO)C2CC2)c1O ZINC000893943985 618209386 /nfs/dbraw/zinc/20/93/86/618209386.db2.gz JPODIHGSYUGANU-UHFFFAOYSA-N 1 1 251.326 1.666 20 10 CDCDMO COc1cc(C)cc(C[NH+]2CCN(C[C@H](C)O)CC2)c1O ZINC000894001141 618242263 /nfs/dbraw/zinc/24/22/63/618242263.db2.gz JGAZYLVWRXHNQS-ZDUSSCGKSA-N 1 1 294.395 1.208 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](C)CCN2CCCC2=O)c1O ZINC000894017933 618244114 /nfs/dbraw/zinc/24/41/14/618244114.db2.gz SZNKAGSDFCJDSD-UHFFFAOYSA-N 1 1 292.379 1.763 20 10 CDCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841041437 618677219 /nfs/dbraw/zinc/67/72/19/618677219.db2.gz CCMIAXVSMWXKMX-LLVKDONJSA-N 1 1 292.383 1.054 20 10 CDCDMO COc1cc(C)cc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)c1O ZINC000894539061 618949812 /nfs/dbraw/zinc/94/98/12/618949812.db2.gz WZZMQDOWAVJWKE-AAEUAGOBSA-N 1 1 281.352 1.291 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)c1O ZINC000894539061 618949817 /nfs/dbraw/zinc/94/98/17/618949817.db2.gz WZZMQDOWAVJWKE-AAEUAGOBSA-N 1 1 281.352 1.291 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](C)C[C@@H](O)C2CC2)c1O ZINC000894776522 619045829 /nfs/dbraw/zinc/04/58/29/619045829.db2.gz HAMMPNHCSNJVLK-CYBMUJFWSA-N 1 1 265.353 1.912 20 10 CDCDMO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894782608 619058491 /nfs/dbraw/zinc/05/84/91/619058491.db2.gz MOHJSAJESHINJB-GFCCVEGCSA-N 1 1 289.322 1.888 20 10 CDCDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894782608 619058492 /nfs/dbraw/zinc/05/84/92/619058492.db2.gz MOHJSAJESHINJB-GFCCVEGCSA-N 1 1 289.322 1.888 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1O ZINC000897684232 621072636 /nfs/dbraw/zinc/07/26/36/621072636.db2.gz LKFJZRRRAGGMSV-YGRLFVJLSA-N 1 1 252.333 1.704 20 10 CDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)[C@@H]1C ZINC000787422032 621557085 /nfs/dbraw/zinc/55/70/85/621557085.db2.gz XSOPCUOZIJXTHP-SKDRFNHKSA-N 1 1 267.300 1.915 20 10 CDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](C3OCCO3)C1)OCO2 ZINC000905694217 626941083 /nfs/dbraw/zinc/94/10/83/626941083.db2.gz FJVMGHDARPEMMJ-SNVBAGLBSA-N 1 1 293.319 1.316 20 10 CDCDMO CN(Cc1ccccc1O)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001591147445 1173581774 /nfs/dbraw/zinc/58/17/74/1173581774.db2.gz LCBYEWRXLUTOJT-UHFFFAOYSA-N 1 1 282.307 1.604 20 10 CDCDMO COc1ccc(CN2CC[N@H+]3CCC[C@H]3C2)c(O)c1 ZINC000245872064 1180785855 /nfs/dbraw/zinc/78/58/55/1180785855.db2.gz GZLLNDCGGIFQNB-ZDUSSCGKSA-N 1 1 262.353 1.681 20 10 CDCDMO COc1cccc(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)c1O ZINC000814173831 1164054381 /nfs/dbraw/zinc/05/43/81/1164054381.db2.gz QVTDBHAOVMZZAB-WCQYABFASA-N 1 1 262.353 1.537 20 10 CDCDMO COc1cccc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c1O ZINC000814173831 1164054388 /nfs/dbraw/zinc/05/43/88/1164054388.db2.gz QVTDBHAOVMZZAB-WCQYABFASA-N 1 1 262.353 1.537 20 10 CDCDMO COc1cccc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c1O ZINC000814173831 1164054395 /nfs/dbraw/zinc/05/43/95/1164054395.db2.gz QVTDBHAOVMZZAB-WCQYABFASA-N 1 1 262.353 1.537 20 10 CDCDMO Nc1nc(N)[nH+]c(NCCCSc2nccs2)n1 ZINC000858408103 711839770 /nfs/dbraw/zinc/83/97/70/711839770.db2.gz LXFZGORYOPTHSK-UHFFFAOYSA-N 1 1 283.386 1.087 20 10 CDCDMO CC[C@H]([NH2+][C@H](C)c1c(O)cccc1F)C(=O)NC ZINC000886622027 711849065 /nfs/dbraw/zinc/84/90/65/711849065.db2.gz IWEAIJDQDOKKML-SCZZXKLOSA-N 1 1 254.305 1.707 20 10 CDCDMO CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(N)cc1 ZINC000054108838 711885624 /nfs/dbraw/zinc/88/56/24/711885624.db2.gz NCQAUECFDLBABJ-UHFFFAOYSA-N 1 1 250.346 1.731 20 10 CDCDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc2c(cc1O)OCO2 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CCOc1cccc(C[NH2+]Cc2ncnn2CC)c1O ZINC000793345950 712140350 /nfs/dbraw/zinc/14/03/50/712140350.db2.gz KQFIWWFHPUCSBO-UHFFFAOYSA-N 1 1 276.340 1.692 20 10 CDCDMO C[C@@H]1[C@H](C)N(Cc2cc3c(cc2O)OCO3)CC[N@@H+]1C ZINC000775986193 712142889 /nfs/dbraw/zinc/14/28/89/712142889.db2.gz POSRHYJHQFIUBI-MNOVXSKESA-N 1 1 278.352 1.645 20 10 CDCDMO C[C@@H]1[C@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)CCN1C ZINC000775986193 712142891 /nfs/dbraw/zinc/14/28/91/712142891.db2.gz POSRHYJHQFIUBI-MNOVXSKESA-N 1 1 278.352 1.645 20 10 CDCDMO C[C@@H]1[C@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)CCN1C ZINC000775986193 712142893 /nfs/dbraw/zinc/14/28/93/712142893.db2.gz POSRHYJHQFIUBI-MNOVXSKESA-N 1 1 278.352 1.645 20 10 CDCDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000788271163 712185089 /nfs/dbraw/zinc/18/50/89/712185089.db2.gz ZRXYGLVTBLFNBD-RHSMWYFYSA-N 1 1 289.423 1.394 20 10 CDCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000788271163 712185093 /nfs/dbraw/zinc/18/50/93/712185093.db2.gz 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/nfs/dbraw/zinc/34/35/99/712343599.db2.gz SVWJHEXURBIVLR-LBPRGKRZSA-N 1 1 280.755 1.852 20 10 CDCDMO COc1ccc(O)c([C@H](C)NC[C@@H]([NH3+])C2CC2)c1 ZINC000817965773 712366037 /nfs/dbraw/zinc/36/60/37/712366037.db2.gz VBYFWBHJQCGXLN-TVQRCGJNSA-N 1 1 250.342 1.789 20 10 CDCDMO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](N)C2CC2)c1 ZINC000817965773 712366040 /nfs/dbraw/zinc/36/60/40/712366040.db2.gz VBYFWBHJQCGXLN-TVQRCGJNSA-N 1 1 250.342 1.789 20 10 CDCDMO CCC[N@@H+](CC(N)=O)Cc1cc(OC)c(OC)cc1O ZINC000814177906 712413492 /nfs/dbraw/zinc/41/34/92/712413492.db2.gz UGMXJOIYNPRPAN-UHFFFAOYSA-N 1 1 282.340 1.107 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c1 ZINC000872125493 712434478 /nfs/dbraw/zinc/43/44/78/712434478.db2.gz BHFJMYBTJMSHJD-NHCYSSNCSA-N 1 1 279.336 1.600 20 10 CDCDMO C[C@@H](NC(=O)NCc1ccccc1O)C1=CC[N@@H+](C)CC1 ZINC000781370301 712438298 /nfs/dbraw/zinc/43/82/98/712438298.db2.gz IJKBJPAKJIUBMS-GFCCVEGCSA-N 1 1 289.379 1.842 20 10 CDCDMO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1 ZINC000857084455 712441817 /nfs/dbraw/zinc/44/18/17/712441817.db2.gz QLNKFPOKJKHOAQ-BXKDBHETSA-N 1 1 266.316 1.803 20 10 CDCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)cc1OC ZINC000827700632 712445156 /nfs/dbraw/zinc/44/51/56/712445156.db2.gz WAQAESVXLMTRCN-ZBEGNZNMSA-N 1 1 295.379 1.860 20 10 CDCDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000778923712 712447886 /nfs/dbraw/zinc/44/78/86/712447886.db2.gz QVGWIVVNSHOADZ-LLVKDONJSA-N 1 1 264.325 1.198 20 10 CDCDMO O=C1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCN12 ZINC000226563801 712679763 /nfs/dbraw/zinc/67/97/63/712679763.db2.gz DIKCFJABJCYXCR-GFCCVEGCSA-N 1 1 264.300 1.338 20 10 CDCDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCN12 ZINC000226563801 712679764 /nfs/dbraw/zinc/67/97/64/712679764.db2.gz DIKCFJABJCYXCR-GFCCVEGCSA-N 1 1 264.300 1.338 20 10 CDCDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876746793 712698489 /nfs/dbraw/zinc/69/84/89/712698489.db2.gz XGBPQTXCWHKHCG-CQSZACIVSA-N 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/nfs/dbraw/zinc/20/10/59/895201059.db2.gz VZFBFWLCHFOIIQ-LBPRGKRZSA-N 1 1 251.326 1.202 20 10 CDCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H](O)CC2)c1O ZINC001140742168 898157776 /nfs/dbraw/zinc/15/77/76/898157776.db2.gz JIHKAWJVUHBARK-LBPRGKRZSA-N 1 1 251.326 1.753 20 10 CDCDMO CC(C)(C)c1ccc(C[N@H+]2CCOC[C@H](O)C2)c(O)c1 ZINC001235673811 914278804 /nfs/dbraw/zinc/27/88/04/914278804.db2.gz ACYJMRKSHCSTOG-CQSZACIVSA-N 1 1 279.380 1.883 20 10 CDCDMO Oc1ccc(O)c(C[N@@H+]2CC[C@H](N3CCCC3)C2)c1 ZINC001141160244 899833553 /nfs/dbraw/zinc/83/35/53/899833553.db2.gz URCPOIQFIGCPDB-ZDUSSCGKSA-N 1 1 262.353 1.768 20 10 CDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H](N3CCCC3)C2)c1 ZINC001141160244 899833560 /nfs/dbraw/zinc/83/35/60/899833560.db2.gz URCPOIQFIGCPDB-ZDUSSCGKSA-N 1 1 262.353 1.768 20 10 CDCDMO COc1cc(C)c(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)c1 ZINC001181373427 917024061 /nfs/dbraw/zinc/02/40/61/917024061.db2.gz OHJFDVZPWWNMBM-GASCZTMLSA-N 1 1 281.352 1.555 20 10 CDCDMO 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CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C ZINC000781001860 678015352 /nfs/dbraw/zinc/01/53/52/678015352.db2.gz QMVMLMUJYBWVGH-NEPJUHHUSA-N 1 1 292.379 1.961 20 10 CDCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1Cl ZINC000824943756 678099677 /nfs/dbraw/zinc/09/96/77/678099677.db2.gz SESBRUVAZRNJPV-SNVBAGLBSA-N 1 1 283.759 1.597 20 10 CDCDMO Oc1c(F)cc(F)cc1C[NH2+]CCN1CCC(O)CC1 ZINC000708453512 678302012 /nfs/dbraw/zinc/30/20/12/678302012.db2.gz HXZHJIZLBYOYQD-UHFFFAOYSA-N 1 1 286.322 1.217 20 10 CDCDMO COc1ccc(O)c(C[N@H+](C)C2CCN(OC)CC2)c1 ZINC000835076572 678329813 /nfs/dbraw/zinc/32/98/13/678329813.db2.gz RUGCIFMJKVIIDR-UHFFFAOYSA-N 1 1 280.368 1.858 20 10 CDCDMO C[C@@H](CNCc1ccc(N2CCOCC2)cc1)C[NH+](C)C ZINC000386723501 678346308 /nfs/dbraw/zinc/34/63/08/678346308.db2.gz SQXOUXCMDXEBAG-HNNXBMFYSA-N 1 1 291.439 1.811 20 10 CDCDMO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)CN(C)C ZINC000386723501 678346311 /nfs/dbraw/zinc/34/63/11/678346311.db2.gz SQXOUXCMDXEBAG-HNNXBMFYSA-N 1 1 291.439 1.811 20 10 CDCDMO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CC(=O)N1 ZINC000840132357 678393025 /nfs/dbraw/zinc/39/30/25/678393025.db2.gz IDFAMSUUHMFTNP-JTQLQIEISA-N 1 1 271.320 1.261 20 10 CDCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CC(=O)N1 ZINC000840132357 678393028 /nfs/dbraw/zinc/39/30/28/678393028.db2.gz IDFAMSUUHMFTNP-JTQLQIEISA-N 1 1 271.320 1.261 20 10 CDCDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c(O)c1 ZINC000877437052 678395842 /nfs/dbraw/zinc/39/58/42/678395842.db2.gz UEXIIDUHKLCDNO-YPMHNXCESA-N 1 1 262.353 1.786 20 10 CDCDMO CCc1cccc(C[N@H+]2CCCC[C@H]2C(N)=O)c1O ZINC000848881590 678397400 /nfs/dbraw/zinc/39/74/00/678397400.db2.gz YRIMZBHARAHRBT-ZDUSSCGKSA-N 1 1 262.353 1.794 20 10 CDCDMO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1c(O)cccc1F ZINC000886519599 678419588 /nfs/dbraw/zinc/41/95/88/678419588.db2.gz YWXIORIFGDGNBG-SCZZXKLOSA-N 1 1 252.289 1.461 20 10 CDCDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876727708 678427777 /nfs/dbraw/zinc/42/77/77/678427777.db2.gz 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/nfs/dbraw/zinc/77/54/16/678775416.db2.gz AVSOTTHFJCJIET-UHFFFAOYSA-N 1 1 290.367 1.616 20 10 CDCDMO C[NH2+][C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000843045526 678785298 /nfs/dbraw/zinc/78/52/98/678785298.db2.gz UNNYRVQYJUFOOR-SNVBAGLBSA-N 1 1 258.724 1.978 20 10 CDCDMO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccccc1O ZINC000779214521 678800832 /nfs/dbraw/zinc/80/08/32/678800832.db2.gz AEOUXZLEZSDBJR-CYBMUJFWSA-N 1 1 262.353 1.835 20 10 CDCDMO CCOc1cccc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c1O ZINC000862427562 678848421 /nfs/dbraw/zinc/84/84/21/678848421.db2.gz AXIHPFONZSUBTN-CYBMUJFWSA-N 1 1 292.379 1.844 20 10 CDCDMO COc1c(O)c(C[NH2+][C@]2(C)CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775060701 678936678 /nfs/dbraw/zinc/93/66/78/678936678.db2.gz MFDHIDVLFSOGRQ-YMTOWFKASA-N 1 1 296.323 1.966 20 10 CDCDMO COc1ccc(N(C)CC[N@@H+](C)Cn2cnnc2)cc1 ZINC000844726839 678936833 /nfs/dbraw/zinc/93/68/33/678936833.db2.gz YBODHFJYCUCDMN-UHFFFAOYSA-N 1 1 275.356 1.312 20 10 CDCDMO C[C@H](CNC(=O)NCCc1ccc(N)cc1)[N@@H+](C)C1CC1 ZINC000841791476 678992195 /nfs/dbraw/zinc/99/21/95/678992195.db2.gz XXUCGIKCXDLWTO-GFCCVEGCSA-N 1 1 290.411 1.593 20 10 CDCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000824625910 679053675 /nfs/dbraw/zinc/05/36/75/679053675.db2.gz PCVWGHWDKADFBX-LLVKDONJSA-N 1 1 257.717 1.239 20 10 CDCDMO CCN1CCN(c2ccc(C[NH2+]C[C@H](C)O)cc2F)CC1 ZINC000819033111 679096592 /nfs/dbraw/zinc/09/65/92/679096592.db2.gz NIEKCHNTEOLZGF-ZDUSSCGKSA-N 1 1 295.402 1.438 20 10 CDCDMO COCC[C@@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886604993 679115137 /nfs/dbraw/zinc/11/51/37/679115137.db2.gz HJSRVFWNDSIJIQ-ZJUUUORDSA-N 1 1 257.305 1.579 20 10 CDCDMO CON(C)CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883172082 679121787 /nfs/dbraw/zinc/12/17/87/679121787.db2.gz UFIPQMIEOBCAQT-UHFFFAOYSA-N 1 1 292.427 1.021 20 10 CDCDMO C[N@H+]1C[C@@H]2CN(C(=O)C3=CC(=O)CS3)C[C@]2(C)C1 ZINC000887926223 679139623 /nfs/dbraw/zinc/13/96/23/679139623.db2.gz AIWGFXISJDXQMY-RNCFNFMXSA-N 1 1 266.366 1.477 20 10 CDCDMO COc1cc(O)c(CN(C)C[C@H]2CCC[N@H+]2C)cc1OC ZINC000817374132 679171151 /nfs/dbraw/zinc/17/11/51/679171151.db2.gz IDWZMPKRCXYTIC-CYBMUJFWSA-N 1 1 294.395 1.935 20 10 CDCDMO COc1cc(O)c(C[N@H+](C)C[C@H]2CCCN2C)cc1OC ZINC000817374132 679171153 /nfs/dbraw/zinc/17/11/53/679171153.db2.gz IDWZMPKRCXYTIC-CYBMUJFWSA-N 1 1 294.395 1.935 20 10 CDCDMO COc1cc(O)c(C[N@@H+](C)C[C@H]2CCCN2C)cc1OC ZINC000817374132 679171155 /nfs/dbraw/zinc/17/11/55/679171155.db2.gz IDWZMPKRCXYTIC-CYBMUJFWSA-N 1 1 294.395 1.935 20 10 CDCDMO CN(C)c1ccc(C[N@@H+](C)C2(CO)CCOCC2)cc1F ZINC000827907689 679362431 /nfs/dbraw/zinc/36/24/31/679362431.db2.gz GMRLHPKIDPOQNX-UHFFFAOYSA-N 1 1 296.386 1.865 20 10 CDCDMO Cc1cc(C[N@H+]2CC[C@H](CC(N)=O)C2)ccc1N(C)C ZINC000815119843 679434364 /nfs/dbraw/zinc/43/43/64/679434364.db2.gz HVXXGMPWYZZWTJ-CQSZACIVSA-N 1 1 275.396 1.758 20 10 CDCDMO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(F)cc1O ZINC000817976051 679462375 /nfs/dbraw/zinc/46/23/75/679462375.db2.gz FCZXIVUPTQIKGT-LSJOCFKGSA-N 1 1 256.296 1.882 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000840915814 679468166 /nfs/dbraw/zinc/46/81/66/679468166.db2.gz FRBHDIMGGVMOJD-OAHLLOKOSA-N 1 1 289.379 1.697 20 10 CDCDMO CC[N@H+](CCS(C)(=O)=O)Cc1c(C)cccc1O ZINC000876783773 679500108 /nfs/dbraw/zinc/50/01/08/679500108.db2.gz MHPUXIFRVBGAHV-UHFFFAOYSA-N 1 1 271.382 1.567 20 10 CDCDMO CC[N@@H+](CCS(C)(=O)=O)Cc1c(C)cccc1O ZINC000876783773 679500110 /nfs/dbraw/zinc/50/01/10/679500110.db2.gz MHPUXIFRVBGAHV-UHFFFAOYSA-N 1 1 271.382 1.567 20 10 CDCDMO COc1cc(O)c(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000775985537 679563499 /nfs/dbraw/zinc/56/34/99/679563499.db2.gz MURKAWZMANLBFC-NEPJUHHUSA-N 1 1 294.395 1.934 20 10 CDCDMO COc1cc(O)c(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)cc1OC ZINC000775985537 679563502 /nfs/dbraw/zinc/56/35/02/679563502.db2.gz MURKAWZMANLBFC-NEPJUHHUSA-N 1 1 294.395 1.934 20 10 CDCDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)cc1OC ZINC000775985537 679563504 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ZINC001140623625 897199826 /nfs/dbraw/zinc/19/98/26/897199826.db2.gz YOLKYSQCSISYCB-ZDUSSCGKSA-N 1 1 260.337 1.507 20 10 CDCDMO CCC(=O)N1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140742003 898158026 /nfs/dbraw/zinc/15/80/26/898158026.db2.gz GXOAYBFIHHUYOD-UHFFFAOYSA-N 1 1 278.352 1.460 20 10 CDCDMO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001270703473 904966653 /nfs/dbraw/zinc/96/66/53/904966653.db2.gz MYJPKFZJUFSJNZ-CDBNLRSOSA-N 1 1 288.347 1.416 20 10 CDCDMO Oc1cc(F)c(F)cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC001142520442 908845832 /nfs/dbraw/zinc/84/58/32/908845832.db2.gz JPWARIDDCAHAOV-NSHDSACASA-N 1 1 268.307 1.950 20 10 CDCDMO [NH3+][C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CC[C@@H]1F ZINC001206182580 912042390 /nfs/dbraw/zinc/04/23/90/912042390.db2.gz BSJALNMOAPYQJA-NWDGAFQWSA-N 1 1 282.315 1.352 20 10 CDCDMO Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)ccc1N(C)C ZINC001139670199 936333022 /nfs/dbraw/zinc/33/30/22/936333022.db2.gz ZNCFLUGYOIKAFV-GXTWGEPZSA-N 1 1 252.333 1.576 20 10 CDCDMO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)ccc1N(C)C ZINC001139670199 936333027 /nfs/dbraw/zinc/33/30/27/936333027.db2.gz ZNCFLUGYOIKAFV-GXTWGEPZSA-N 1 1 252.333 1.576 20 10 CDCDMO COc1cc(CN2CC[N@@H+](C)C(C)(C)C2)cc(O)c1O ZINC001204346813 917975083 /nfs/dbraw/zinc/97/50/83/917975083.db2.gz ZYNGPXZZQFOBLI-UHFFFAOYSA-N 1 1 280.368 1.632 20 10 CDCDMO CC[N@H+]1CCO[C@@H]2CN(Cc3cccc(F)c3O)C[C@@H]2C1 ZINC001138126493 936475094 /nfs/dbraw/zinc/47/50/94/936475094.db2.gz CCHOEVKGYYAUTQ-DZGCQCFKSA-N 1 1 294.370 1.684 20 10 CDCDMO Cc1c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c2ccccc2n1C ZINC001138258077 936503410 /nfs/dbraw/zinc/50/34/10/936503410.db2.gz KNXTUKFTZJZTQV-OAHLLOKOSA-N 1 1 287.363 1.173 20 10 CDCDMO Cc1c(C[N@H+]2CCO[C@@H](C(N)=O)C2)c2ccccc2n1C ZINC001138258077 936503413 /nfs/dbraw/zinc/50/34/13/936503413.db2.gz KNXTUKFTZJZTQV-OAHLLOKOSA-N 1 1 287.363 1.173 20 10 CDCDMO CN1CCCc2cc(C[N@H+]3CC[C@]4(CCNC4=O)C3)ccc21 ZINC001138355223 936525281 /nfs/dbraw/zinc/52/52/81/936525281.db2.gz 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/nfs/dbraw/zinc/72/71/55/679727155.db2.gz QQMPOMLBECXNTD-LLVKDONJSA-N 1 1 278.352 1.572 20 10 CDCDMO CN(C)c1ccc(CN(C)C(=O)c2ncoc2C[NH3+])cc1 ZINC000884305634 679723913 /nfs/dbraw/zinc/72/39/13/679723913.db2.gz BHPAZJYVGBSFOQ-UHFFFAOYSA-N 1 1 288.351 1.472 20 10 CDCDMO CC(=O)N[C@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876580083 679768468 /nfs/dbraw/zinc/76/84/68/679768468.db2.gz DWVMHOYAOHZAIX-ZDUSSCGKSA-N 1 1 262.353 1.801 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@]1(C)CO ZINC000827700246 679769360 /nfs/dbraw/zinc/76/93/60/679769360.db2.gz QTMRAKFJFMXELJ-YGRLFVJLSA-N 1 1 253.317 1.982 20 10 CDCDMO COc1ccc(N(C)CC[N@@H+](C)CC[S@@](C)=O)cc1 ZINC000844401846 679811222 /nfs/dbraw/zinc/81/12/22/679811222.db2.gz NRDXSBTYFNYKMM-LJQANCHMSA-N 1 1 284.425 1.442 20 10 CDCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000877467155 679805973 /nfs/dbraw/zinc/80/59/73/679805973.db2.gz XARBFBWGOBECKK-SLEUVZQESA-N 1 1 274.364 1.786 20 10 CDCDMO COC(=O)C1(C)C[NH+](Cc2cc(OC)c(OC)cc2O)C1 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COc1cc(O)c(C[NH2+][C@@H]2CCCC[C@H]2N)cc1OC ZINC000818431929 681752767 /nfs/dbraw/zinc/75/27/67/681752767.db2.gz WQEZJVCXFGHUAS-VXGBXAGGSA-N 1 1 280.368 1.769 20 10 CDCDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cccc(C)c3O)C[C@@H]21 ZINC000814173177 681794863 /nfs/dbraw/zinc/79/48/63/681794863.db2.gz HKVFQYLKYFBQRG-ITGUQSILSA-N 1 1 261.321 1.551 20 10 CDCDMO CC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000228357038 681975570 /nfs/dbraw/zinc/97/55/70/681975570.db2.gz ORVMCUFZCWBHAF-NSHDSACASA-N 1 1 252.289 1.242 20 10 CDCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000228357038 681975574 /nfs/dbraw/zinc/97/55/74/681975574.db2.gz ORVMCUFZCWBHAF-NSHDSACASA-N 1 1 252.289 1.242 20 10 CDCDMO CCc1cccc(C[N@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)c1O ZINC000848919864 682119576 /nfs/dbraw/zinc/11/95/76/682119576.db2.gz UAHCCJZVTOPGPB-ZIAGYGMSSA-N 1 1 293.363 1.310 20 10 CDCDMO C[C@H]1C[NH2+]CCN1Cc1c(O)ccc(Cl)c1F ZINC000843046922 682168068 /nfs/dbraw/zinc/16/80/68/682168068.db2.gz FLHSZUQFNSJZGI-QMMMGPOBSA-N 1 1 258.724 1.978 20 10 CDCDMO CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817944761 682342637 /nfs/dbraw/zinc/34/26/37/682342637.db2.gz LKCNLIINWYQWPD-AWEZNQCLSA-N 1 1 297.830 1.992 20 10 CDCDMO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1c(O)cccc1F ZINC000886643394 682365553 /nfs/dbraw/zinc/36/55/53/682365553.db2.gz SVLZKSJAMWECAQ-GHMZBOCLSA-N 1 1 268.332 1.513 20 10 CDCDMO COc1cc(O)c(CN2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000843050994 682367007 /nfs/dbraw/zinc/36/70/07/682367007.db2.gz CXMNJHCDDMFUPZ-PWSUYJOCSA-N 1 1 280.368 1.579 20 10 CDCDMO C[C@]1(C(N)=O)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708397270 682371696 /nfs/dbraw/zinc/37/16/96/682371696.db2.gz AMDKDLQSZMSBFX-ZDUSSCGKSA-N 1 1 270.279 1.368 20 10 CDCDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708397270 682371698 /nfs/dbraw/zinc/37/16/98/682371698.db2.gz AMDKDLQSZMSBFX-ZDUSSCGKSA-N 1 1 270.279 1.368 20 10 CDCDMO Oc1cc2c(cc1C[N@@H+]1CCc3n[nH]cc3C1)OCO2 ZINC000857876542 682421928 /nfs/dbraw/zinc/42/19/28/682421928.db2.gz DNKUDYVRVHKWCV-UHFFFAOYSA-N 1 1 273.292 1.402 20 10 CDCDMO Oc1cc2c(cc1C[N@H+]1CCc3n[nH]cc3C1)OCO2 ZINC000857876542 682421930 /nfs/dbraw/zinc/42/19/30/682421930.db2.gz DNKUDYVRVHKWCV-UHFFFAOYSA-N 1 1 273.292 1.402 20 10 CDCDMO Cc1ccc(CN2CC[NH+](C[C@H](C)O)CC2)c(O)c1 ZINC000876686760 682509711 /nfs/dbraw/zinc/50/97/11/682509711.db2.gz ICGJSGNBHVXPHL-ZDUSSCGKSA-N 1 1 264.369 1.199 20 10 CDCDMO Oc1cccc2c1[C@H]([NH2+]Cc1nnnn1CC1CC1)CC2 ZINC000834770747 682510201 /nfs/dbraw/zinc/51/02/01/682510201.db2.gz XJGLFFMMZQCSIK-GFCCVEGCSA-N 1 1 285.351 1.566 20 10 CDCDMO CC[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000873723223 682812138 /nfs/dbraw/zinc/81/21/38/682812138.db2.gz WMIQKYGYEIQTJN-UHFFFAOYSA-N 1 1 289.339 1.627 20 10 CDCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2cc(C)ccc2O)C1 ZINC000862760971 682853475 /nfs/dbraw/zinc/85/34/75/682853475.db2.gz YFRYQCLRMJWKQM-CQSZACIVSA-N 1 1 278.352 1.038 20 10 CDCDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2cc(C)ccc2O)C1 ZINC000862760971 682853476 /nfs/dbraw/zinc/85/34/76/682853476.db2.gz YFRYQCLRMJWKQM-CQSZACIVSA-N 1 1 278.352 1.038 20 10 CDCDMO Cc1cc(C[N@@H+]2CCC(=O)N(C)CC2)ccc1N(C)C ZINC000852577496 683220982 /nfs/dbraw/zinc/22/09/82/683220982.db2.gz GRKGFQMOEZIESD-UHFFFAOYSA-N 1 1 275.396 1.725 20 10 CDCDMO C[C@@H](O)CCC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000788523405 683248056 /nfs/dbraw/zinc/24/80/56/683248056.db2.gz CAOOAYBUQITJOK-OAHLLOKOSA-N 1 1 291.439 1.689 20 10 CDCDMO CO[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1O ZINC000825016793 683322246 /nfs/dbraw/zinc/32/22/46/683322246.db2.gz IPIXTTOLZSIDCN-ZIAGYGMSSA-N 1 1 268.332 1.083 20 10 CDCDMO Cc1cc(CN2CCCO[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923378986 683388754 /nfs/dbraw/zinc/38/87/54/683388754.db2.gz MRSBZJIIABIGHE-HNNXBMFYSA-N 1 1 277.412 1.611 20 10 CDCDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877178010 683395808 /nfs/dbraw/zinc/39/58/08/683395808.db2.gz YUDJRRYDLOLECH-ZDUSSCGKSA-N 1 1 298.408 1.214 20 10 CDCDMO COc1ccc(CNC(=O)C[N@@H+](C)C2CCC2)c(O)c1 ZINC000863912887 683689878 /nfs/dbraw/zinc/68/98/78/683689878.db2.gz SKADEVKRHZLXGW-UHFFFAOYSA-N 1 1 278.352 1.501 20 10 CDCDMO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1c(O)cccc1F ZINC000886502620 683691451 /nfs/dbraw/zinc/69/14/51/683691451.db2.gz HMWKXUKCLNOCPS-SNVBAGLBSA-N 1 1 296.342 1.464 20 10 CDCDMO CN1CCN(Cc2cc(Cl)cc(F)c2O)[C@@H](C[NH3+])C1 ZINC000843122930 683774278 /nfs/dbraw/zinc/77/42/78/683774278.db2.gz XEIMJZRHAYIFQT-NSHDSACASA-N 1 1 287.766 1.259 20 10 CDCDMO C[C@@H](CNC(=O)Nc1ccc(N)cc1)C[NH+]1CCOCC1 ZINC000841300791 683834604 /nfs/dbraw/zinc/83/46/04/683834604.db2.gz VCUDZYHVIVHUNM-LBPRGKRZSA-N 1 1 292.383 1.359 20 10 CDCDMO C[N@H+]1CC[C@@H]2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C[C@@H]21 ZINC000836847747 683874678 /nfs/dbraw/zinc/87/46/78/683874678.db2.gz CZZDGPHWRNEIAG-NZTAEXDXSA-N 1 1 288.347 1.274 20 10 CDCDMO Cc1cccc(C[N@@H+](CC(N)=O)C2CCCC2)c1O ZINC000124530830 683880185 /nfs/dbraw/zinc/88/01/85/683880185.db2.gz UWHHKXNYNHNJEZ-UHFFFAOYSA-N 1 1 262.353 1.931 20 10 CDCDMO CC[N@@H+](C)C[C@@H](O)CSc1ncc(C(=O)OC)s1 ZINC000848674070 683901929 /nfs/dbraw/zinc/90/19/29/683901929.db2.gz KCJOKJDNUHYOJC-MRVPVSSYSA-N 1 1 290.410 1.334 20 10 CDCDMO CCOc1cccc(CNCC2([NH3+])CCC2)c1O ZINC000841049984 684002912 /nfs/dbraw/zinc/00/29/12/684002912.db2.gz BARRWBOQSRMVLM-UHFFFAOYSA-N 1 1 250.342 1.762 20 10 CDCDMO CCOc1cccc(C[NH2+]CC2(N)CCC2)c1O ZINC000841049984 684002917 /nfs/dbraw/zinc/00/29/17/684002917.db2.gz BARRWBOQSRMVLM-UHFFFAOYSA-N 1 1 250.342 1.762 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](O)CC1 ZINC000816667757 684069211 /nfs/dbraw/zinc/06/92/11/684069211.db2.gz VXRXEFUOLXOOAF-NSHDSACASA-N 1 1 251.326 1.748 20 10 CDCDMO C[C@@H](CCO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000776209409 684069889 /nfs/dbraw/zinc/06/98/89/684069889.db2.gz VOLNOQQNMOHZBJ-AWEZNQCLSA-N 1 1 277.412 1.299 20 10 CDCDMO CCc1cccc(CNC[C@H](O)C[NH+]2CCCC2)c1O ZINC000848895778 684101758 /nfs/dbraw/zinc/10/17/58/684101758.db2.gz XPPZAGSANASRFB-HNNXBMFYSA-N 1 1 278.396 1.501 20 10 CDCDMO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(F)ccc1O ZINC000179970672 684147429 /nfs/dbraw/zinc/14/74/29/684147429.db2.gz FQKJREFHLRNGSJ-UHFFFAOYSA-N 1 1 268.332 1.832 20 10 CDCDMO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883016011 684193952 /nfs/dbraw/zinc/19/39/52/684193952.db2.gz LADWRZFLKBWPBQ-LDYMZIIASA-N 1 1 284.306 1.804 20 10 CDCDMO O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140055053 894749364 /nfs/dbraw/zinc/74/93/64/894749364.db2.gz FUOBPDPVOHDOTK-UHFFFAOYSA-N 1 1 291.282 1.291 20 10 CDCDMO C/C(=C\C=C\N)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001167434335 895683625 /nfs/dbraw/zinc/68/36/25/895683625.db2.gz JLCJLGKAPPERII-MMDXLWBZSA-N 1 1 286.423 1.904 20 10 CDCDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001140948211 898958800 /nfs/dbraw/zinc/95/88/00/898958800.db2.gz YHXBFUCTPUQVFV-LSDHHAIUSA-N 1 1 265.353 1.266 20 10 CDCDMO NCc1cc(NCCc2cc(O)c(O)cc2O)cc[nH+]1 ZINC001168006636 905360967 /nfs/dbraw/zinc/36/09/67/905360967.db2.gz ZJFLAIODOAJAIU-UHFFFAOYSA-N 1 1 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COc1cc(C[N@H+]2CCC(=O)C(C)(C)C2)c(O)cc1O ZINC001231637636 942953391 /nfs/dbraw/zinc/95/33/91/942953391.db2.gz PCQASGJVMGIADG-UHFFFAOYSA-N 1 1 279.336 1.907 20 10 CDCDMO COc1cc(C[N@@H+]2CCN(C(C)=O)[C@H](C)C2)c(O)cc1O ZINC001231639283 942956364 /nfs/dbraw/zinc/95/63/64/942956364.db2.gz NWIKSRGCJODGQS-SNVBAGLBSA-N 1 1 294.351 1.159 20 10 CDCDMO COc1cc(C[N@H+]2CCN(C(C)=O)[C@H](C)C2)c(O)cc1O ZINC001231639283 942956367 /nfs/dbraw/zinc/95/63/67/942956367.db2.gz NWIKSRGCJODGQS-SNVBAGLBSA-N 1 1 294.351 1.159 20 10 CDCDMO Cc1cc(C)c(C[N@H+]2CCOC[C@@](C)(O)C2)c(O)c1 ZINC001231843391 943025407 /nfs/dbraw/zinc/02/54/07/943025407.db2.gz XPIJQIAMICQMKG-HNNXBMFYSA-N 1 1 265.353 1.592 20 10 CDCDMO C[C@H]1COCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233011058 943461859 /nfs/dbraw/zinc/46/18/59/943461859.db2.gz YMCIPSDHJPAUMG-SECBINFHSA-N 1 1 253.298 1.272 20 10 CDCDMO C[C@H]1COCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233011058 943461856 /nfs/dbraw/zinc/46/18/56/943461856.db2.gz YMCIPSDHJPAUMG-SECBINFHSA-N 1 1 253.298 1.272 20 10 CDCDMO CC(C)[N@@H+](CCCO)Cc1cc(O)c(O)c(O)c1 ZINC001233014044 943462968 /nfs/dbraw/zinc/46/29/68/943462968.db2.gz XLMPBXUGRPQETG-UHFFFAOYSA-N 1 1 255.314 1.396 20 10 CDCDMO O=C1NC2(CO1)CC[NH+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233335732 943548928 /nfs/dbraw/zinc/54/89/28/943548928.db2.gz ITUYMWHOTNRHKT-UHFFFAOYSA-N 1 1 298.289 1.745 20 10 CDCDMO C[N@@H+](Cc1cccnc1)Cc1cc(O)c(O)cc1O ZINC001233482623 943590728 /nfs/dbraw/zinc/59/07/28/943590728.db2.gz VMAWAGIEGKPZKQ-UHFFFAOYSA-N 1 1 260.293 1.830 20 10 CDCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@](O)(CF)CC2)cc1O ZINC001233483095 943593154 /nfs/dbraw/zinc/59/31/54/943593154.db2.gz NPACWRHYZDINSI-AWEZNQCLSA-N 1 1 285.315 1.490 20 10 CDCDMO Oc1cc(O)c(C[N@@H+]2CCOCC23CCC3)cc1O ZINC001233485856 943594054 /nfs/dbraw/zinc/59/40/54/943594054.db2.gz NMQDDRYHVJYLAG-UHFFFAOYSA-N 1 1 265.309 1.558 20 10 CDCDMO Oc1cc(O)c(C[N@H+]2CCOCC23CCC3)cc1O ZINC001233485856 943594056 /nfs/dbraw/zinc/59/40/56/943594056.db2.gz NMQDDRYHVJYLAG-UHFFFAOYSA-N 1 1 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COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001308699447 956563773 /nfs/dbraw/zinc/56/37/73/956563773.db2.gz PYQAYLMQQYXKES-KBPBESRZSA-N 1 1 293.363 1.624 20 10 CDCDMO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1O ZINC001308886872 956597244 /nfs/dbraw/zinc/59/72/44/956597244.db2.gz RJTKVWMQIGYWMS-SSDOTTSWSA-N 1 1 274.267 1.168 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](CCO)C2CCOCC2)c1O ZINC001332005138 957394976 /nfs/dbraw/zinc/39/49/76/957394976.db2.gz RFYJLEQFPHUJCG-UHFFFAOYSA-N 1 1 295.379 1.683 20 10 CDCDMO Nc1nsc(N2CC[NH+](Cc3ccc(N)cc3)CC2)n1 ZINC001336116213 960211071 /nfs/dbraw/zinc/21/10/71/960211071.db2.gz CYJYKJUCTDCTQU-UHFFFAOYSA-N 1 1 290.396 1.025 20 10 CDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)C2CC2)cc1 ZINC000047921502 342145966 /nfs/dbraw/zinc/14/59/66/342145966.db2.gz VPXGFTYOJDCFFF-UHFFFAOYSA-N 1 1 275.396 1.805 20 10 CDCDMO COCCO[C@@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000188826116 357941621 /nfs/dbraw/zinc/94/16/21/357941621.db2.gz QLKBCEXGWBZTCX-CYBMUJFWSA-N 1 1 281.352 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/nfs/dbraw/zinc/25/60/60/328256060.db2.gz HHYJNJIGYWYUDJ-CQSZACIVSA-N 1 1 253.317 1.997 20 10 CDCDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(O)c1O ZINC000271324432 482834849 /nfs/dbraw/zinc/83/48/49/482834849.db2.gz YBUXKGJDRPLKHW-STQMWFEESA-N 1 1 290.363 1.763 20 10 CDCDMO COc1c(O)c(C[N@H+](C)CC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000278162041 521865428 /nfs/dbraw/zinc/86/54/28/521865428.db2.gz DSBJFLVTJTVWPU-SECBINFHSA-N 1 1 284.312 1.512 20 10 CDCDMO COc1c(O)c(C[N@@H+](C)CC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000278162041 521865438 /nfs/dbraw/zinc/86/54/38/521865438.db2.gz DSBJFLVTJTVWPU-SECBINFHSA-N 1 1 284.312 1.512 20 10 CDCDMO COc1c(O)c(C[NH2+]CC(C)(C)N(C)C)ccc1[N+](=O)[O-] ZINC000278863290 521874484 /nfs/dbraw/zinc/87/44/84/521874484.db2.gz MDXDIZQTKXYUFM-UHFFFAOYSA-N 1 1 297.355 1.739 20 10 CDCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000278629490 521879430 /nfs/dbraw/zinc/87/94/30/521879430.db2.gz GQLWXFBCZAELTP-JTQLQIEISA-N 1 1 296.323 1.825 20 10 CDCDMO COc1c(O)c(C[NH2+][C@@H]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278473434 521879956 /nfs/dbraw/zinc/87/99/56/521879956.db2.gz HYPDIBDVUOVWGQ-MWLCHTKSSA-N 1 1 296.323 1.966 20 10 CDCDMO COCC[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000291171649 521889870 /nfs/dbraw/zinc/88/98/70/521889870.db2.gz DRINJTZKCMZFED-MRXNPFEDSA-N 1 1 278.396 1.990 20 10 CDCDMO COCC[C@@H]1COCC[N@H+]1Cc1cc(C)ccc1O ZINC000291243691 521891466 /nfs/dbraw/zinc/89/14/66/521891466.db2.gz LLNSBFLKDVJOEW-CQSZACIVSA-N 1 1 265.353 1.938 20 10 CDCDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(F)ccc1O ZINC000130872136 524865710 /nfs/dbraw/zinc/86/57/10/524865710.db2.gz SDDNZXWSWPBPCH-XYZCENFISA-N 1 1 259.346 1.730 20 10 CDCDMO COc1cccc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000280310943 525953420 /nfs/dbraw/zinc/95/34/20/525953420.db2.gz PRHCBDQMZGVPFE-MLGOLLRUSA-N 1 1 293.363 1.781 20 10 CDCDMO O=C(NCc1ccccc1O)[C@H]1CCC[N@H+]1C1CC1 ZINC000279974855 526755834 /nfs/dbraw/zinc/75/58/34/526755834.db2.gz UOJZGFUBLZKSEQ-CYBMUJFWSA-N 1 1 260.337 1.635 20 10 CDCDMO Cc1[nH+]ccn1CCCNC(=O)c1cccc(O)c1O ZINC000280246602 527421124 /nfs/dbraw/zinc/42/11/24/527421124.db2.gz SILKXWJFUCFBHZ-UHFFFAOYSA-N 1 1 275.308 1.423 20 10 CDCDMO Nc1ccc(CC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000037812709 527475680 /nfs/dbraw/zinc/47/56/80/527475680.db2.gz FPJOIVUGSIDCGD-OAHLLOKOSA-N 1 1 273.380 1.508 20 10 CDCDMO CCOc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)c(O)c1 ZINC000770384351 575443853 /nfs/dbraw/zinc/44/38/53/575443853.db2.gz XNQAYNGIZQMKGO-LBPRGKRZSA-N 1 1 264.325 1.111 20 10 CDCDMO CCOc1ccc(O)c(C[N@@H+](CC)CC(=O)NC)c1 ZINC000768309082 576270840 /nfs/dbraw/zinc/27/08/40/576270840.db2.gz XPVTVXLKLWQVJY-UHFFFAOYSA-N 1 1 266.341 1.359 20 10 CDCDMO CCOc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c(O)c1 ZINC000769206535 576337351 /nfs/dbraw/zinc/33/73/51/576337351.db2.gz OZQXNXILVQXDIX-ZDUSSCGKSA-N 1 1 290.363 1.598 20 10 CDCDMO COc1cccc(O)c1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000769403915 576352081 /nfs/dbraw/zinc/35/20/81/576352081.db2.gz JSKDVANNAIHODQ-LBPRGKRZSA-N 1 1 264.369 1.784 20 10 CDCDMO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC000748558277 576917206 /nfs/dbraw/zinc/91/72/06/576917206.db2.gz XIHFZZYHULIGJQ-OAHLLOKOSA-N 1 1 275.396 1.805 20 10 CDCDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000753030717 577141194 /nfs/dbraw/zinc/14/11/94/577141194.db2.gz VXZYNBKZWHTKHP-WMADIVHISA-N 1 1 292.379 1.956 20 10 CDCDMO Oc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000823733589 599423352 /nfs/dbraw/zinc/42/33/52/599423352.db2.gz ZYUXVKOIBMRODG-UHFFFAOYSA-N 1 1 271.280 1.455 20 10 CDCDMO CCOc1cccc(C[N@@H+]2CCO[C@H](CF)C2)c1O ZINC000840954007 617747477 /nfs/dbraw/zinc/74/74/77/617747477.db2.gz FKSKNHRWFDNCMO-GFCCVEGCSA-N 1 1 269.316 1.961 20 10 CDCDMO CCOc1cccc(C[N@H+]2CCO[C@H](CF)C2)c1O ZINC000840954007 617747479 /nfs/dbraw/zinc/74/74/79/617747479.db2.gz FKSKNHRWFDNCMO-GFCCVEGCSA-N 1 1 269.316 1.961 20 10 CDCDMO COc1cc(C)cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1O ZINC000894055111 618313527 /nfs/dbraw/zinc/31/35/27/618313527.db2.gz 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/nfs/dbraw/zinc/46/45/66/618464566.db2.gz ADTJFSHECRAGGH-UHFFFAOYSA-N 1 1 261.369 1.383 20 10 CDCDMO Cc1cc(C[N@H+]2CCCNC(=O)C2)ccc1N(C)C ZINC000815033139 618464572 /nfs/dbraw/zinc/46/45/72/618464572.db2.gz ADTJFSHECRAGGH-UHFFFAOYSA-N 1 1 261.369 1.383 20 10 CDCDMO Cc1cc(O)c(CN2CCCO[C@H](C[NH3+])C2)cc1C ZINC000841101504 618682876 /nfs/dbraw/zinc/68/28/76/618682876.db2.gz WGOOJFZFFTYSSY-CQSZACIVSA-N 1 1 264.369 1.559 20 10 CDCDMO C[NH2+]CCN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843057661 618691417 /nfs/dbraw/zinc/69/14/17/618691417.db2.gz QIQMNOSZLNUIQP-UHFFFAOYSA-N 1 1 276.428 1.090 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1O ZINC000894535229 618946818 /nfs/dbraw/zinc/94/68/18/618946818.db2.gz XIDUTNCLMSYFAP-YPMHNXCESA-N 1 1 265.353 1.912 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2C[C@H](O)C(C)(C)C2)c1O ZINC000894595150 618986223 /nfs/dbraw/zinc/98/62/23/618986223.db2.gz HMCNKFPWYRLKLU-ZDUSSCGKSA-N 1 1 265.353 1.912 20 10 CDCDMO Cc1ccc(O)c(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1 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/nfs/dbraw/zinc/67/80/39/618678039.db2.gz UPRVKYODKDBDJF-UHFFFAOYSA-N 1 1 269.776 1.040 20 10 CDCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccnc2)cc1 ZINC000841043957 618678523 /nfs/dbraw/zinc/67/85/23/618678523.db2.gz RTFGAKWEGRTKSG-MRXNPFEDSA-N 1 1 270.380 1.937 20 10 CDCDMO COc1c([O-])c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057109 618691359 /nfs/dbraw/zinc/69/13/59/618691359.db2.gz BEYFKKPAIHRKSQ-NXEZZACHSA-N 1 1 295.339 1.478 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)cc1F ZINC000895332193 619578294 /nfs/dbraw/zinc/57/82/94/619578294.db2.gz SFXVSDQDHRJMHX-SWLSCSKDSA-N 1 1 282.359 1.209 20 10 CDCDMO Oc1cc2c(cc1C[N@H+]1C[C@@H]3[C@H](O)CC[C@@H]3C1)OCO2 ZINC000895785630 619841504 /nfs/dbraw/zinc/84/15/04/619841504.db2.gz YGHXGHHDAARPAC-ADEWGFFLSA-N 1 1 277.320 1.324 20 10 CDCDMO Cc1cccc(C[N@H+]2CC[C@H](C3OCCO3)C2)c1O ZINC000896387750 620082026 /nfs/dbraw/zinc/08/20/26/620082026.db2.gz UTGUPIGBAKHRNL-ZDUSSCGKSA-N 1 1 263.337 1.895 20 10 CDCDMO C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1O ZINC000897680250 621067423 /nfs/dbraw/zinc/06/74/23/621067423.db2.gz HMHWUNUXDNFXHE-HQJQHLMTSA-N 1 1 259.708 1.997 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1O ZINC000897680250 621067430 /nfs/dbraw/zinc/06/74/30/621067430.db2.gz HMHWUNUXDNFXHE-HQJQHLMTSA-N 1 1 259.708 1.997 20 10 CDCDMO C[C@@H]1C[NH2+]C[C@H]1NCc1cc(Cl)cc(F)c1O ZINC000903963916 626171144 /nfs/dbraw/zinc/17/11/44/626171144.db2.gz JKWXBPLSPTWUMX-RDDDGLTNSA-N 1 1 258.724 1.882 20 10 CDCDMO COc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC000211550767 1175784136 /nfs/dbraw/zinc/78/41/36/1175784136.db2.gz UYGLXVFJTWMADY-GFCCVEGCSA-N 1 1 276.336 1.207 20 10 CDCDMO CC(C)[N@@H+](C)C[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000380598298 730473828 /nfs/dbraw/zinc/47/38/28/730473828.db2.gz YYTUAZQITGHMGV-NSHDSACASA-N 1 1 280.368 1.939 20 10 CDCDMO CC(C)[N@H+](C)C[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000380598298 730473829 /nfs/dbraw/zinc/47/38/29/730473829.db2.gz YYTUAZQITGHMGV-NSHDSACASA-N 1 1 280.368 1.939 20 10 CDCDMO CCN(Cc1c(O)ccc(Cl)c1F)[C@H]1CCNC1=O ZINC000799737736 730486971 /nfs/dbraw/zinc/48/69/71/730486971.db2.gz MCMGBJZQICULKJ-JTQLQIEISA-N 1 1 286.734 1.895 20 10 CDCDMO COC[C@H](O)CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886558820 730490227 /nfs/dbraw/zinc/49/02/27/730490227.db2.gz STYODXOFNABPRB-NXEZZACHSA-N 1 1 257.305 1.579 20 10 CDCDMO C[N@@H+](CCC(N)=O)Cc1cc(Br)ccc1O ZINC000382163248 730590733 /nfs/dbraw/zinc/59/07/33/730590733.db2.gz IGJNYFSBBXDSEH-UHFFFAOYSA-N 1 1 287.157 1.462 20 10 CDCDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H](C)CO1 ZINC000844733775 730711830 /nfs/dbraw/zinc/71/18/30/730711830.db2.gz XSGFAEJORQVGHL-IXPVHAAZSA-N 1 1 293.363 1.817 20 10 CDCDMO Cc1cccc(O)c1C[NH+]1CCN(CC[S@](C)=O)CC1 ZINC000876762169 730874702 /nfs/dbraw/zinc/87/47/02/730874702.db2.gz ASKIYESMHWRUNJ-FQEVSTJZSA-N 1 1 296.436 1.197 20 10 CDCDMO Cc1ccc(C[N@H+](C)[C@]2(CO)CCOC2)c(O)c1 ZINC000877649233 730882495 /nfs/dbraw/zinc/88/24/95/730882495.db2.gz QWJOPZCLDCSSAA-AWEZNQCLSA-N 1 1 251.326 1.284 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCN(C)C[C@H]1CO ZINC000877645005 730948008 /nfs/dbraw/zinc/94/80/08/730948008.db2.gz XWTCEPIDJBJDIX-INIZCTEOSA-N 1 1 277.412 1.169 20 10 CDCDMO Cc1cc(N(C)C)ccc1CN1CC[N@H+](C)C[C@H]1CO ZINC000877645005 730948012 /nfs/dbraw/zinc/94/80/12/730948012.db2.gz XWTCEPIDJBJDIX-INIZCTEOSA-N 1 1 277.412 1.169 20 10 CDCDMO Cc1cc(N(C)C)ccc1CN1CC[N@@H+](C)C[C@H]1CO ZINC000877645005 730948014 /nfs/dbraw/zinc/94/80/14/730948014.db2.gz XWTCEPIDJBJDIX-INIZCTEOSA-N 1 1 277.412 1.169 20 10 CDCDMO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708466700 731063839 /nfs/dbraw/zinc/06/38/39/731063839.db2.gz ULWADCKMFUTUNN-RDDDGLTNSA-N 1 1 277.336 1.872 20 10 CDCDMO COc1cccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000827119555 731122847 /nfs/dbraw/zinc/12/28/47/731122847.db2.gz NFOULAPZHNGIKT-CQSZACIVSA-N 1 1 292.379 1.307 20 10 CDCDMO CN(C)C(=O)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000132120020 731161839 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[NH3+][C@@H]1CCCC[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000818431448 731325224 /nfs/dbraw/zinc/32/52/24/731325224.db2.gz NDMAJQHCQMPEAN-GHMZBOCLSA-N 1 1 264.325 1.480 20 10 CDCDMO COC[C@H]1CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000816636921 731346348 /nfs/dbraw/zinc/34/63/48/731346348.db2.gz LXBXFNPETDXPCW-QGZVFWFLSA-N 1 1 289.423 1.659 20 10 CDCDMO COC[C@H]1CC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000816636921 731346351 /nfs/dbraw/zinc/34/63/51/731346351.db2.gz LXBXFNPETDXPCW-QGZVFWFLSA-N 1 1 289.423 1.659 20 10 CDCDMO CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)c1O ZINC000249367993 731372750 /nfs/dbraw/zinc/37/27/50/731372750.db2.gz OPWKFOGHZPMMTG-DGCLKSJQSA-N 1 1 281.352 1.373 20 10 CDCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c1O ZINC000249367993 731372759 /nfs/dbraw/zinc/37/27/59/731372759.db2.gz OPWKFOGHZPMMTG-DGCLKSJQSA-N 1 1 281.352 1.373 20 10 CDCDMO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886644827 731415348 /nfs/dbraw/zinc/41/53/48/731415348.db2.gz LNOCEYWDLXIVHH-BDAKNGLRSA-N 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Cc1cccc(O)c1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000877516016 732588267 /nfs/dbraw/zinc/58/82/67/732588267.db2.gz ARWSHCVQAOHUAI-CABCVRRESA-N 1 1 290.407 1.996 20 10 CDCDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cccc(O)c1O ZINC000812394667 732612724 /nfs/dbraw/zinc/61/27/24/732612724.db2.gz UYOIHYFYBOFDPM-NSHDSACASA-N 1 1 280.368 1.948 20 10 CDCDMO O=C1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@H]2N1 ZINC000827132758 732618795 /nfs/dbraw/zinc/61/87/95/732618795.db2.gz OFIFAWZOQHSRKG-GXFFZTMASA-N 1 1 278.327 1.632 20 10 CDCDMO CCOc1ccc(C[N@@H+](C)CC2(O)CCOCC2)c(O)c1 ZINC000783715642 732744943 /nfs/dbraw/zinc/74/49/43/732744943.db2.gz NRLXRDLYWLIUTE-UHFFFAOYSA-N 1 1 295.379 1.764 20 10 CDCDMO OC[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000092764110 732785925 /nfs/dbraw/zinc/78/59/25/732785925.db2.gz XBECTEBRQKMCTD-SECBINFHSA-N 1 1 286.169 1.969 20 10 CDCDMO OC[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000092764110 732785928 /nfs/dbraw/zinc/78/59/28/732785928.db2.gz XBECTEBRQKMCTD-SECBINFHSA-N 1 1 286.169 1.969 20 10 CDCDMO COC[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000933328844 732814978 /nfs/dbraw/zinc/81/49/78/732814978.db2.gz DNGXGJOWWMCPFF-OAHLLOKOSA-N 1 1 278.396 1.908 20 10 CDCDMO COC[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000933328844 732814982 /nfs/dbraw/zinc/81/49/82/732814982.db2.gz DNGXGJOWWMCPFF-OAHLLOKOSA-N 1 1 278.396 1.908 20 10 CDCDMO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccnn1C ZINC000817944256 732845286 /nfs/dbraw/zinc/84/52/86/732845286.db2.gz YNQMTKDYVOHDKG-IUODEOHRSA-N 1 1 287.411 1.837 20 10 CDCDMO C[C@@H]1C[NH+](Cc2ccccc2O)C[C@@H](C)S1=O ZINC000792192043 732846905 /nfs/dbraw/zinc/84/69/05/732846905.db2.gz JPLBRWAXQGJNPD-GHMZBOCLSA-N 1 1 253.367 1.734 20 10 CDCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCCNC(=O)C2)c1 ZINC000872824815 733124464 /nfs/dbraw/zinc/12/44/64/733124464.db2.gz DCNCYWYQIBAKNV-UHFFFAOYSA-N 1 1 292.379 1.717 20 10 CDCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCCNC(=O)C2)c1 ZINC000872824815 733124471 /nfs/dbraw/zinc/12/44/71/733124471.db2.gz DCNCYWYQIBAKNV-UHFFFAOYSA-N 1 1 292.379 1.717 20 10 CDCDMO COc1cccc(C[N@H+]2C[C@H](O)CC[C@H]2C)c1O ZINC000817414995 733126541 /nfs/dbraw/zinc/12/65/41/733126541.db2.gz QJQAWYLHTRQNQF-ZYHUDNBSSA-N 1 1 251.326 1.746 20 10 CDCDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877555743 1166055793 /nfs/dbraw/zinc/05/57/93/1166055793.db2.gz ADVVWLRSBSMYCK-OAHLLOKOSA-N 1 1 292.423 1.850 20 10 CDCDMO CC1(O)CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233010189 912671579 /nfs/dbraw/zinc/67/15/79/912671579.db2.gz MWLRNSTWXOTYJA-UHFFFAOYSA-N 1 1 253.298 1.150 20 10 CDCDMO CN1CC[C@]2(CCC[N@H+]2Cc2ccccc2O)C1=O ZINC001272619635 914191796 /nfs/dbraw/zinc/19/17/96/914191796.db2.gz XIRINVWDJBERJU-OAHLLOKOSA-N 1 1 260.337 1.589 20 10 CDCDMO Nc1ccc(NCCc2cc(O)c(O)cc2O)c[nH+]1 ZINC001168006078 905352920 /nfs/dbraw/zinc/35/29/20/905352920.db2.gz RQKWJKFZEPBVFN-UHFFFAOYSA-N 1 1 261.281 1.435 20 10 CDCDMO [NH3+][C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 ZINC000715764891 921335075 /nfs/dbraw/zinc/33/50/75/921335075.db2.gz 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/nfs/dbraw/zinc/97/36/63/740973663.db2.gz AAISCBIXOLMQLC-UHFFFAOYSA-N 1 1 296.323 1.968 20 10 CDCDMO Cc1cc(N(C)C)ccc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846068468 741073328 /nfs/dbraw/zinc/07/33/28/741073328.db2.gz SYXFWWSKBKHKAQ-QGZVFWFLSA-N 1 1 289.423 1.312 20 10 CDCDMO O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000779499308 741127927 /nfs/dbraw/zinc/12/79/27/741127927.db2.gz MVHQIPPQHAQEOG-DBGMKRSLSA-N 1 1 288.347 1.464 20 10 CDCDMO CCc1cccc(C[N@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC000848881589 741135545 /nfs/dbraw/zinc/13/55/45/741135545.db2.gz YRIMZBHARAHRBT-CYBMUJFWSA-N 1 1 262.353 1.794 20 10 CDCDMO O=C1NCCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000839195276 741213890 /nfs/dbraw/zinc/21/38/90/741213890.db2.gz FTMCRDFSTBVLMQ-MRVPVSSYSA-N 1 1 286.734 1.801 20 10 CDCDMO C[C@H]1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2c1c(F)ccc2O ZINC000817978035 741426168 /nfs/dbraw/zinc/42/61/68/741426168.db2.gz UMMYPQOLKLNXKC-CDMIMJJDSA-N 1 1 262.328 1.887 20 10 CDCDMO Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(O)c1O ZINC000819719331 741434645 /nfs/dbraw/zinc/43/46/45/741434645.db2.gz UDLIUWKKUFAYGT-WCQYABFASA-N 1 1 290.363 1.572 20 10 CDCDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1c(F)ccc(O)c1O ZINC000828833424 741538228 /nfs/dbraw/zinc/53/82/28/741538228.db2.gz GCNFVOMQSWBACA-VIFPVBQESA-N 1 1 282.315 1.451 20 10 CDCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CNC(=O)C1 ZINC000851792069 741848696 /nfs/dbraw/zinc/84/86/96/741848696.db2.gz KBFRFUSZNGZCGM-LBPRGKRZSA-N 1 1 262.353 1.740 20 10 CDCDMO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840936020 741865848 /nfs/dbraw/zinc/86/58/48/741865848.db2.gz DEGQYQXFXAUZOO-HNNXBMFYSA-N 1 1 291.395 1.008 20 10 CDCDMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840936020 741865849 /nfs/dbraw/zinc/86/58/49/741865849.db2.gz DEGQYQXFXAUZOO-HNNXBMFYSA-N 1 1 291.395 1.008 20 10 CDCDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC000388089431 741874584 /nfs/dbraw/zinc/87/45/84/741874584.db2.gz CRWJOQMZBQSRKT-ISVAXAHUSA-N 1 1 267.300 1.547 20 10 CDCDMO C[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)S(C)(=O)=O ZINC000886555337 741918219 /nfs/dbraw/zinc/91/82/19/741918219.db2.gz PVQDDSZDQQUZJT-BDAKNGLRSA-N 1 1 275.345 1.615 20 10 CDCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C(=O)N(C)C ZINC000062745932 741928902 /nfs/dbraw/zinc/92/89/02/741928902.db2.gz HXWFWYVFNGHKTM-DTWKUNHWSA-N 1 1 254.305 1.659 20 10 CDCDMO NC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000841028584 742360769 /nfs/dbraw/zinc/36/07/69/742360769.db2.gz PXOWFUFIJCVUQY-HNNXBMFYSA-N 1 1 293.386 1.489 20 10 CDCDMO CC1(C)C[N@@H+](Cc2ccccc2O)C[C@@H](CO)O1 ZINC000817413439 742388988 /nfs/dbraw/zinc/38/89/88/742388988.db2.gz XWDOZUZYMXQSCK-LBPRGKRZSA-N 1 1 251.326 1.364 20 10 CDCDMO CCn1nc(C)c(C[NH2+]Cc2cccc(C)c2O)n1 ZINC000822494498 739323674 /nfs/dbraw/zinc/32/36/74/739323674.db2.gz QEASGQMJGAKYPO-UHFFFAOYSA-N 1 1 260.341 1.910 20 10 CDCDMO CC[C@@H](NCC[NH2+]CCOC)c1ccc(C)cc1O ZINC000817965100 739399101 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COc1c(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000872267225 741041448 /nfs/dbraw/zinc/04/14/48/741041448.db2.gz URGYANGMEWXDCI-PHIMTYICSA-N 1 1 294.307 1.387 20 10 CDCDMO COc1c(O)c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000872267225 741041450 /nfs/dbraw/zinc/04/14/50/741041450.db2.gz URGYANGMEWXDCI-PHIMTYICSA-N 1 1 294.307 1.387 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)cc1 ZINC000878984632 741052291 /nfs/dbraw/zinc/05/22/91/741052291.db2.gz VYLQBCXTOIMZLC-LSDHHAIUSA-N 1 1 264.369 1.070 20 10 CDCDMO C[N@@H+](CC(=O)NCCc1ccc(O)c(O)c1)CC(C)(C)C ZINC000821061850 741152824 /nfs/dbraw/zinc/15/28/24/741152824.db2.gz YPAUHMGKYSDTDY-UHFFFAOYSA-N 1 1 294.395 1.734 20 10 CDCDMO [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000312315701 741266863 /nfs/dbraw/zinc/26/68/63/741266863.db2.gz AXXFINGJVOKTCM-GFCCVEGCSA-N 1 1 295.814 1.525 20 10 CDCDMO [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000312315701 741266866 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[NH3+]C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843048531 745645489 /nfs/dbraw/zinc/64/54/89/745645489.db2.gz FZHMDOACDZRPCK-AWEZNQCLSA-N 1 1 293.386 1.443 20 10 CDCDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2O)C1 ZINC000179587506 745773033 /nfs/dbraw/zinc/77/30/33/745773033.db2.gz FGNRIJCXRJWWBU-CYBMUJFWSA-N 1 1 262.353 1.692 20 10 CDCDMO Cc1ccc(C[NH+]2CCN([C@H]3CCC[C@H]3O)CC2)c(O)c1 ZINC000876686947 745803823 /nfs/dbraw/zinc/80/38/23/745803823.db2.gz CDAGDVGROJKUER-JKSUJKDBSA-N 1 1 290.407 1.732 20 10 CDCDMO COCCOC1C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877140374 745860033 /nfs/dbraw/zinc/86/00/33/745860033.db2.gz SRYOFADERGVHHN-UHFFFAOYSA-N 1 1 251.326 1.548 20 10 CDCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cnc(N)s2)cc1 ZINC000843126698 745873448 /nfs/dbraw/zinc/87/34/48/745873448.db2.gz UNXMJYVYODGNOI-ZDUSSCGKSA-N 1 1 291.424 1.581 20 10 CDCDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)CCO)cc1OC ZINC000846109088 745874941 /nfs/dbraw/zinc/87/49/41/745874941.db2.gz CUDIUAXGLMNZGF-SNVBAGLBSA-N 1 1 269.341 1.612 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C[N@H+]1CCN(C(=O)NCCc2ccc(N)cc2)CC1(C)C ZINC000892039809 617434855 /nfs/dbraw/zinc/43/48/55/617434855.db2.gz ZNMLOQIJFOFCNU-UHFFFAOYSA-N 1 1 290.411 1.547 20 10 CDCDMO OCC[N@@H+](Cc1cc(F)cc(F)c1O)CC1CC1 ZINC000893976281 618232779 /nfs/dbraw/zinc/23/27/79/618232779.db2.gz QGOIBDYRAOOKDK-UHFFFAOYSA-N 1 1 257.280 1.875 20 10 CDCDMO OCC[N@H+](Cc1cc(F)cc(F)c1O)CC1CC1 ZINC000893976281 618232782 /nfs/dbraw/zinc/23/27/82/618232782.db2.gz QGOIBDYRAOOKDK-UHFFFAOYSA-N 1 1 257.280 1.875 20 10 CDCDMO COc1cc(C)cc(C[NH+]2CCN(C[C@@H](C)O)CC2)c1O ZINC000894001140 618242543 /nfs/dbraw/zinc/24/25/43/618242543.db2.gz JGAZYLVWRXHNQS-CYBMUJFWSA-N 1 1 294.395 1.208 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000822503043 618548059 /nfs/dbraw/zinc/54/80/59/618548059.db2.gz DBFVSGFRZRGVOB-CYBMUJFWSA-N 1 1 288.351 1.829 20 10 CDCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccccn2)cc1 ZINC000841042329 618677901 /nfs/dbraw/zinc/67/79/01/618677901.db2.gz IEEQIPCDDVWDAF-MRXNPFEDSA-N 1 1 270.380 1.937 20 10 CDCDMO COc1ccc(C[N@@H+](C)C[C@H](O)C2CC2)c(O)c1OC ZINC000894472761 618901977 /nfs/dbraw/zinc/90/19/77/618901977.db2.gz WBUJHTABCUQMQT-LBPRGKRZSA-N 1 1 281.352 1.612 20 10 CDCDMO C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)[C@H]1CO ZINC000894535240 618946921 /nfs/dbraw/zinc/94/69/21/618946921.db2.gz XSCGLRUSTLZYDO-PELKAZGASA-N 1 1 257.280 1.873 20 10 CDCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)[C@H]1CO ZINC000894535240 618946923 /nfs/dbraw/zinc/94/69/23/618946923.db2.gz XSCGLRUSTLZYDO-PELKAZGASA-N 1 1 257.280 1.873 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000895389196 619628595 /nfs/dbraw/zinc/62/85/95/619628595.db2.gz NTXHJPNFPOBFLM-ZDUSSCGKSA-N 1 1 292.379 1.762 20 10 CDCDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c(O)c1OC ZINC000895515602 619705887 /nfs/dbraw/zinc/70/58/87/619705887.db2.gz WPIQZJWFKBEPMB-WCQYABFASA-N 1 1 295.379 1.860 20 10 CDCDMO O=C1NCCC2(CC[NH+](Cc3cccc(F)c3O)CC2)O1 ZINC000897013790 620346050 /nfs/dbraw/zinc/34/60/50/620346050.db2.gz 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C[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000129474040 754442140 /nfs/dbraw/zinc/44/21/40/754442140.db2.gz KNAJTQXBIGTJQU-QGZVFWFLSA-N 1 1 290.407 1.870 20 10 CDCDMO CCc1cccc(C[N@@H+](C)[C@]2(CO)CCOC2)c1O ZINC000862428962 754666706 /nfs/dbraw/zinc/66/67/06/754666706.db2.gz YBGOMDWGBOXBLA-HNNXBMFYSA-N 1 1 265.353 1.538 20 10 CDCDMO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000883355492 754749277 /nfs/dbraw/zinc/74/92/77/754749277.db2.gz RWLNUMNNXUSZRO-WCQYABFASA-N 1 1 292.379 1.924 20 10 CDCDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000846989749 754755625 /nfs/dbraw/zinc/75/56/25/754755625.db2.gz UCXQBKHUOLFQJE-LBPRGKRZSA-N 1 1 292.379 1.963 20 10 CDCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(O)(CO)CC2)c1O ZINC000313726602 754819137 /nfs/dbraw/zinc/81/91/37/754819137.db2.gz RXOSKROOHSRLPI-UHFFFAOYSA-N 1 1 297.326 1.053 20 10 CDCDMO [NH3+]C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000841028209 754862497 /nfs/dbraw/zinc/86/24/97/754862497.db2.gz LXKGEZMNTZTGRI-LLVKDONJSA-N 1 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C[C@H]1C[N@@H+](Cc2cc(O)ccc2O)CC[C@@]1(C)O ZINC001141156365 899822323 /nfs/dbraw/zinc/82/23/23/899822323.db2.gz KUPXNIQOZKLBFP-IINYFYTJSA-N 1 1 251.326 1.691 20 10 CDCDMO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(O)ccc1O ZINC001141155923 899822643 /nfs/dbraw/zinc/82/26/43/899822643.db2.gz AUVNKNSPZKWZBP-WDEREUQCSA-N 1 1 251.326 1.691 20 10 CDCDMO COC[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)CCO1 ZINC000093529571 908251093 /nfs/dbraw/zinc/25/10/93/908251093.db2.gz NASNRYZNVIBYEA-ZDUSSCGKSA-N 1 1 267.325 1.248 20 10 CDCDMO COC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2O)CCO1 ZINC000093529571 908251107 /nfs/dbraw/zinc/25/11/07/908251107.db2.gz NASNRYZNVIBYEA-ZDUSSCGKSA-N 1 1 267.325 1.248 20 10 CDCDMO COc1ccc(O)c(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)c1 ZINC001206156327 911200468 /nfs/dbraw/zinc/20/04/68/911200468.db2.gz QCEDAGXYLDXWET-STQMWFEESA-N 1 1 268.332 1.662 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c1 ZINC001206156327 911200484 /nfs/dbraw/zinc/20/04/84/911200484.db2.gz QCEDAGXYLDXWET-STQMWFEESA-N 1 1 268.332 1.662 20 10 CDCDMO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@H](F)CC2)c(OC)c1 ZINC001206175318 911923776 /nfs/dbraw/zinc/92/37/76/911923776.db2.gz UFDZUUBFXCSMLE-CHWSQXEVSA-N 1 1 298.358 1.671 20 10 CDCDMO COc1cc(C[N@H+]2CCC[C@@](C)(O)C2)c(O)c(OC)c1 ZINC001237675715 917542197 /nfs/dbraw/zinc/54/21/97/917542197.db2.gz FHMZQOJJZBHAIH-OAHLLOKOSA-N 1 1 281.352 1.756 20 10 CDCDMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(F)c1O ZINC001138126943 936474852 /nfs/dbraw/zinc/47/48/52/936474852.db2.gz NRCRFRGFRVQLRW-CHWSQXEVSA-N 1 1 278.327 1.726 20 10 CDCDMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(F)c1O ZINC001138126943 936474856 /nfs/dbraw/zinc/47/48/56/936474856.db2.gz NRCRFRGFRVQLRW-CHWSQXEVSA-N 1 1 278.327 1.726 20 10 CDCDMO Cc1c(C[N@@H+](C)C[C@H](O)CO)c2ccccc2n1C ZINC001138254478 936502622 /nfs/dbraw/zinc/50/26/22/936502622.db2.gz YWCNWGMSMXBONA-LBPRGKRZSA-N 1 1 262.353 1.272 20 10 CDCDMO CN1CCCc2cc(C[N@@H+]3CC[C@@H](O)[C@@H](F)C3)ccc21 ZINC001138354609 936524962 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COc1cc(C[N@H+]2CC[C@H](NC(C)=O)C2)c(O)cc1C ZINC000817367091 783860516 /nfs/dbraw/zinc/86/05/16/783860516.db2.gz BDJPDUNWMSVRAD-ZDUSSCGKSA-N 1 1 278.352 1.420 20 10 CDCDMO CN1CCN(c2ccc(C[NH2+]CCF)cc2)CC1 ZINC000798087054 784105240 /nfs/dbraw/zinc/10/52/40/784105240.db2.gz DKDMOSBZBOKYEK-UHFFFAOYSA-N 1 1 251.349 1.498 20 10 CDCDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)ccc(O)c1O ZINC000825481483 784117027 /nfs/dbraw/zinc/11/70/27/784117027.db2.gz KQVKRGZCWREKCO-NXEZZACHSA-N 1 1 294.326 1.594 20 10 CDCDMO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000816653610 784189193 /nfs/dbraw/zinc/18/91/93/784189193.db2.gz AOYZPPGHHQJMAN-TXEJJXNPSA-N 1 1 264.369 1.925 20 10 CDCDMO COc1cccc(O)c1CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000816653610 784189201 /nfs/dbraw/zinc/18/92/01/784189201.db2.gz AOYZPPGHHQJMAN-TXEJJXNPSA-N 1 1 264.369 1.925 20 10 CDCDMO COc1cccc(O)c1CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000816653610 784189208 /nfs/dbraw/zinc/18/92/08/784189208.db2.gz 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ZINC000890760405 617321362 /nfs/dbraw/zinc/32/13/62/617321362.db2.gz QYHVFYBKBPICIX-JTQLQIEISA-N 1 1 268.744 1.614 20 10 CDCDMO COc1ccc(C[N@H+]2CC[C@](C)(O)C2)c(O)c1OC ZINC000892186546 617537902 /nfs/dbraw/zinc/53/79/02/617537902.db2.gz XYDKZEXTDDGICP-AWEZNQCLSA-N 1 1 267.325 1.366 20 10 CDCDMO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000893978938 618232882 /nfs/dbraw/zinc/23/28/82/618232882.db2.gz YUBFDBAJIFICKU-NSHDSACASA-N 1 1 284.306 1.900 20 10 CDCDMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000893978938 618232885 /nfs/dbraw/zinc/23/28/85/618232885.db2.gz YUBFDBAJIFICKU-NSHDSACASA-N 1 1 284.306 1.900 20 10 CDCDMO COc1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)c1OC ZINC000894004952 618243326 /nfs/dbraw/zinc/24/33/26/618243326.db2.gz DJBSEIMGXJWKCQ-BETUJISGSA-N 1 1 297.351 1.255 20 10 CDCDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000927768738 618652527 /nfs/dbraw/zinc/65/25/27/618652527.db2.gz TZOPCXDPYAZEFC-AWEZNQCLSA-N 1 1 261.369 1.758 20 10 CDCDMO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CC[C@H]1O ZINC000894497753 618917947 /nfs/dbraw/zinc/91/79/47/618917947.db2.gz PXGURUNVHIQPHX-QPUJVOFHSA-N 1 1 257.280 1.873 20 10 CDCDMO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CC[C@H]1O ZINC000894497753 618917949 /nfs/dbraw/zinc/91/79/49/618917949.db2.gz PXGURUNVHIQPHX-QPUJVOFHSA-N 1 1 257.280 1.873 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CCNC(=O)C[C@H]2C)c1O ZINC000894783253 619058531 /nfs/dbraw/zinc/05/85/31/619058531.db2.gz RSGVNCYXVKAMGR-LLVKDONJSA-N 1 1 278.352 1.420 20 10 CDCDMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3O)C2)[nH]1 ZINC000895007538 619205416 /nfs/dbraw/zinc/20/54/16/619205416.db2.gz FABVKUSNNJCJIS-LBPRGKRZSA-N 1 1 258.325 1.808 20 10 CDCDMO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccccc3O)C2)n1 ZINC000895007538 619205417 /nfs/dbraw/zinc/20/54/17/619205417.db2.gz FABVKUSNNJCJIS-LBPRGKRZSA-N 1 1 258.325 1.808 20 10 CDCDMO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccccc3O)C2)n1 ZINC000895007538 619205418 /nfs/dbraw/zinc/20/54/18/619205418.db2.gz FABVKUSNNJCJIS-LBPRGKRZSA-N 1 1 258.325 1.808 20 10 CDCDMO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3O)C2)n[nH]1 ZINC000895007538 619205419 /nfs/dbraw/zinc/20/54/19/619205419.db2.gz FABVKUSNNJCJIS-LBPRGKRZSA-N 1 1 258.325 1.808 20 10 CDCDMO Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3O)C2)n[nH]1 ZINC000895007538 619205421 /nfs/dbraw/zinc/20/54/21/619205421.db2.gz FABVKUSNNJCJIS-LBPRGKRZSA-N 1 1 258.325 1.808 20 10 CDCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H]2C)c1 ZINC000788269443 619325882 /nfs/dbraw/zinc/32/58/82/619325882.db2.gz NRFLFQBXIVWNQJ-ZYHUDNBSSA-N 1 1 251.326 1.746 20 10 CDCDMO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1COCCO1 ZINC000895259247 619503369 /nfs/dbraw/zinc/50/33/69/619503369.db2.gz JDDKNHZRDYMXQD-LLVKDONJSA-N 1 1 273.279 1.518 20 10 CDCDMO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1COCCO1 ZINC000895259247 619503375 /nfs/dbraw/zinc/50/33/75/619503375.db2.gz JDDKNHZRDYMXQD-LLVKDONJSA-N 1 1 273.279 1.518 20 10 CDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896379678 620073290 /nfs/dbraw/zinc/07/32/90/620073290.db2.gz CYNIQPRUFTYUMR-LBPRGKRZSA-N 1 1 263.337 1.895 20 10 CDCDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)O ZINC000898125660 621328818 /nfs/dbraw/zinc/32/88/18/621328818.db2.gz KNFOTHDFAWMAKP-AWEZNQCLSA-N 1 1 291.439 1.687 20 10 CDCDMO CN(C)c1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1F ZINC000904420796 626295039 /nfs/dbraw/zinc/29/50/39/626295039.db2.gz FRSIYNQVONMUBI-UONOGXRCSA-N 1 1 277.387 1.933 20 10 CDCDMO CC[N@@H+](Cc1cc(C)ccc1O)[C@@H](C)CS(C)(=O)=O ZINC000093391185 1159675279 /nfs/dbraw/zinc/67/52/79/1159675279.db2.gz GZQYVDSNDCGPLL-LBPRGKRZSA-N 1 1 285.409 1.956 20 10 CDCDMO CC[N@H+](Cc1cc(C)ccc1O)[C@@H](C)CS(C)(=O)=O ZINC000093391185 1159675277 /nfs/dbraw/zinc/67/52/77/1159675277.db2.gz GZQYVDSNDCGPLL-LBPRGKRZSA-N 1 1 285.409 1.956 20 10 CDCDMO COCCC[N@@H+](CCOC)Cc1ccc(N)cc1 ZINC000042408285 1166065257 /nfs/dbraw/zinc/06/52/57/1166065257.db2.gz GMWNKZONORJBFC-UHFFFAOYSA-N 1 1 252.358 1.754 20 10 CDCDMO C[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccccc1O ZINC000879649315 1166392149 /nfs/dbraw/zinc/39/21/49/1166392149.db2.gz NBWVFDBILBHYKX-YPMHNXCESA-N 1 1 264.369 1.498 20 10 CDCDMO O=C(NCc1ccccc1O)[C@H]1[NH2+]CCOc2ccccc21 ZINC001580722340 1172522682 /nfs/dbraw/zinc/52/26/82/1172522682.db2.gz YFCCCYOHJANGFE-INIZCTEOSA-N 1 1 298.342 1.732 20 10 CDCDMO Oc1cccc(Br)c1C[NH2+][C@H]1CNOC1 ZINC001580888630 1172566423 /nfs/dbraw/zinc/56/64/23/1172566423.db2.gz SOLPEZUFSUBFPM-ZETCQYMHSA-N 1 1 273.130 1.148 20 10 CDCDMO CN(C)C(=O)OCC[N@@H+](C)Cc1ccccc1O ZINC000159134484 1178236492 /nfs/dbraw/zinc/23/64/92/1178236492.db2.gz WCVSTUCTMBZNLJ-UHFFFAOYSA-N 1 1 252.314 1.522 20 10 CDCDMO COc1cccc(O)c1C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000814175504 1164056281 /nfs/dbraw/zinc/05/62/81/1164056281.db2.gz JRMCZVDSTLDINY-LLVKDONJSA-N 1 1 299.392 1.267 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000814175504 1164056292 /nfs/dbraw/zinc/05/62/92/1164056292.db2.gz JRMCZVDSTLDINY-LLVKDONJSA-N 1 1 299.392 1.267 20 10 CDCDMO COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877587862 1166063533 /nfs/dbraw/zinc/06/35/33/1166063533.db2.gz SEABURJFVSTREA-AWEZNQCLSA-N 1 1 292.379 1.237 20 10 CDCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)ccc1[N+](=O)[O-] ZINC000278304598 818206317 /nfs/dbraw/zinc/20/63/17/818206317.db2.gz DIFUQWDHGGBHBJ-FOGDFJRCSA-N 1 1 294.307 1.719 20 10 CDCDMO COC[C@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000179445000 818251655 /nfs/dbraw/zinc/25/16/55/818251655.db2.gz XWXOGLCRPMQCFP-CYBMUJFWSA-N 1 1 281.352 1.556 20 10 CDCDMO COC[C@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000179445000 818251671 /nfs/dbraw/zinc/25/16/71/818251671.db2.gz XWXOGLCRPMQCFP-CYBMUJFWSA-N 1 1 281.352 1.556 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1OC ZINC000853591325 818332486 /nfs/dbraw/zinc/33/24/86/818332486.db2.gz PVIRYTIGTJVGEB-AAEUAGOBSA-N 1 1 293.363 1.878 20 10 CDCDMO CN(C)c1ccc(C[N@@H+](C)CC(C)(CO)CO)cc1F ZINC000128057069 818620331 /nfs/dbraw/zinc/62/03/31/818620331.db2.gz FOHOBJLAEQPCCA-UHFFFAOYSA-N 1 1 284.375 1.314 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000818358311 818669963 /nfs/dbraw/zinc/66/99/63/818669963.db2.gz UHAFIMZKCSJFEK-RLCGTCKNSA-N 1 1 265.309 1.353 20 10 CDCDMO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000858579574 818737724 /nfs/dbraw/zinc/73/77/24/818737724.db2.gz FYPZXPHDSVZKAG-BDAKNGLRSA-N 1 1 270.304 1.590 20 10 CDCDMO COc1c(O)c(C[N@H+](C)[C@H](C)CCO)ccc1[N+](=O)[O-] ZINC000846109675 818762569 /nfs/dbraw/zinc/76/25/69/818762569.db2.gz GOGDIHORVLOBIR-SECBINFHSA-N 1 1 284.312 1.512 20 10 CDCDMO COc1c(O)c(C[N@@H+](C)[C@H](C)CCO)ccc1[N+](=O)[O-] ZINC000846109675 818762575 /nfs/dbraw/zinc/76/25/75/818762575.db2.gz GOGDIHORVLOBIR-SECBINFHSA-N 1 1 284.312 1.512 20 10 CDCDMO COCC(COC)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886620693 818800919 /nfs/dbraw/zinc/80/09/19/818800919.db2.gz QEOXOKNCRQGHHL-SECBINFHSA-N 1 1 257.305 1.843 20 10 CDCDMO COc1ccc(O)c(C[NH2+][C@H](C)c2ncnn2C)c1 ZINC000789595591 819180753 /nfs/dbraw/zinc/18/07/53/819180753.db2.gz WGXZLWNZYVAHBV-SECBINFHSA-N 1 1 262.313 1.380 20 10 CDCDMO C[N@@H+](CCCCS(C)(=O)=O)Cc1ccccc1O ZINC000163015834 819206469 /nfs/dbraw/zinc/20/64/69/819206469.db2.gz SCXFPIKMALFBDR-UHFFFAOYSA-N 1 1 271.382 1.649 20 10 CDCDMO CO[C@@]1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCOC1 ZINC000123284544 819214636 /nfs/dbraw/zinc/21/46/36/819214636.db2.gz ZFJCQGSPRHEQRK-QMTHXVAHSA-N 1 1 269.316 1.987 20 10 CDCDMO C[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180765351 819286719 /nfs/dbraw/zinc/28/67/19/819286719.db2.gz XVSWKNUODROATJ-VUDGCMKMSA-N 1 1 290.363 1.569 20 10 CDCDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc(F)ccc1O ZINC000809768645 819346057 /nfs/dbraw/zinc/34/60/57/819346057.db2.gz RPDMGOXESLOVBR-CYBMUJFWSA-N 1 1 271.332 1.749 20 10 CDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000877499253 819353380 /nfs/dbraw/zinc/35/33/80/819353380.db2.gz DIWPXWPTAODJQG-NSHDSACASA-N 1 1 269.366 1.320 20 10 CDCDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877614430 819397040 /nfs/dbraw/zinc/39/70/40/819397040.db2.gz DDJDDIJOWKAFFU-AWEZNQCLSA-N 1 1 292.423 1.850 20 10 CDCDMO COc1c(O)c(C[NH2+][C@]2(C)CCOC2)ccc1[N+](=O)[O-] ZINC000775040154 819414521 /nfs/dbraw/zinc/41/45/21/819414521.db2.gz QIQGPNSKDWHURD-CYBMUJFWSA-N 1 1 282.296 1.578 20 10 CDCDMO COc1cc(O)c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1OC ZINC000783738994 819485663 /nfs/dbraw/zinc/48/56/63/819485663.db2.gz DQSKYJJPXPUWPF-ABAIWWIYSA-N 1 1 279.336 1.224 20 10 CDCDMO Oc1c(F)cc(F)cc1C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000883135161 819568705 /nfs/dbraw/zinc/56/87/05/819568705.db2.gz WSLDCVMKGZCHFZ-BETUJISGSA-N 1 1 298.333 1.623 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000826994571 819800856 /nfs/dbraw/zinc/80/08/56/819800856.db2.gz KWHUXCXVIJIRND-LLVKDONJSA-N 1 1 292.335 1.427 20 10 CDCDMO CCOc1ccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)c(O)c1 ZINC000770350137 819814554 /nfs/dbraw/zinc/81/45/54/819814554.db2.gz FLVGEYUSMQTZIK-BXUZGUMPSA-N 1 1 281.352 1.373 20 10 CDCDMO CCOc1ccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)c(O)c1 ZINC000770350137 819814556 /nfs/dbraw/zinc/81/45/56/819814556.db2.gz FLVGEYUSMQTZIK-BXUZGUMPSA-N 1 1 281.352 1.373 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000857062150 819876019 /nfs/dbraw/zinc/87/60/19/819876019.db2.gz YRVRYROPGWHQKS-NEPJUHHUSA-N 1 1 265.353 1.851 20 10 CDCDMO O=C(CC[NH+]1CCOCC1)NCc1cc(Cl)ccc1O ZINC000846473719 819893969 /nfs/dbraw/zinc/89/39/69/819893969.db2.gz VYGZHGJCWACJHV-UHFFFAOYSA-N 1 1 298.770 1.384 20 10 CDCDMO C[NH+]1CCC(CCO)(NCc2ccc3c(c2)CCO3)CC1 ZINC000848557260 820054204 /nfs/dbraw/zinc/05/42/04/820054204.db2.gz DAEHBWWBOXLGAE-UHFFFAOYSA-N 1 1 290.407 1.558 20 10 CDCDMO [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000312252374 820200633 /nfs/dbraw/zinc/20/06/33/820200633.db2.gz MVRHEISNKXHLCK-AWEZNQCLSA-N 1 1 295.814 1.525 20 10 CDCDMO [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000312252374 820200687 /nfs/dbraw/zinc/20/06/87/820200687.db2.gz MVRHEISNKXHLCK-AWEZNQCLSA-N 1 1 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O=C1NCC[C@]12CC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142513014 937026144 /nfs/dbraw/zinc/02/61/44/937026144.db2.gz SWHQIKYUZBIENP-CQSZACIVSA-N 1 1 282.290 1.382 20 10 CDCDMO COCC[NH+](CCOC)Cc1cc(F)c(F)cc1O ZINC001142502535 937023381 /nfs/dbraw/zinc/02/33/81/937023381.db2.gz RNRYOEIQDBREMK-UHFFFAOYSA-N 1 1 275.295 1.765 20 10 CDCDMO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H](O)c1ccc(O)c(O)c1)C2 ZINC001169078765 927705293 /nfs/dbraw/zinc/70/52/93/927705293.db2.gz GGWDXDPXNZGGRH-JFILPPLUSA-N 1 1 292.379 1.346 20 10 CDCDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H](O)c1ccc(O)c(O)c1)C2 ZINC001169078765 927705305 /nfs/dbraw/zinc/70/53/05/927705305.db2.gz GGWDXDPXNZGGRH-JFILPPLUSA-N 1 1 292.379 1.346 20 10 CDCDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883139678 930150008 /nfs/dbraw/zinc/15/00/08/930150008.db2.gz VUVXHYFSHDHGPI-VXGBXAGGSA-N 1 1 273.279 1.564 20 10 CDCDMO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116443578 937448489 /nfs/dbraw/zinc/44/84/89/937448489.db2.gz 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CDCDMO Cc1cc(F)cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c1O ZINC001238063432 945044271 /nfs/dbraw/zinc/04/42/71/945044271.db2.gz WJMJCWPNGLYLCA-LBPRGKRZSA-N 1 1 287.356 1.459 20 10 CDCDMO Cc1cc(F)cc(C[N@@H+]2CCC3(CN(C)C3)C2)c1O ZINC001238067854 945049393 /nfs/dbraw/zinc/04/93/93/945049393.db2.gz QOJKACPMGHYLGQ-UHFFFAOYSA-N 1 1 264.344 1.977 20 10 CDCDMO NC(=O)C[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308798659 956580706 /nfs/dbraw/zinc/58/07/06/956580706.db2.gz JGIFTWFXYFCYKG-MRVPVSSYSA-N 1 1 270.279 1.368 20 10 CDCDMO NC(=O)C[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308798659 956580718 /nfs/dbraw/zinc/58/07/18/956580718.db2.gz JGIFTWFXYFCYKG-MRVPVSSYSA-N 1 1 270.279 1.368 20 10 CDCDMO CC(C)(C[NH2+]Cc1cc(F)c(F)cc1O)OCCO ZINC001308798497 956581760 /nfs/dbraw/zinc/58/17/60/956581760.db2.gz DNICDIWRMZOALG-UHFFFAOYSA-N 1 1 275.295 1.548 20 10 CDCDMO COc1ccc(C[NH2+][C@H](C)c2ncnn2C)c(O)c1OC ZINC001333716653 958537283 /nfs/dbraw/zinc/53/72/83/958537283.db2.gz FJQGPZDPAITGFR-SECBINFHSA-N 1 1 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CCC[N@H+](CC(=O)OC)Cc1cc(OC)ccc1O ZINC000183377394 391263772 /nfs/dbraw/zinc/26/37/72/391263772.db2.gz JSEDZDHDZAFWQN-UHFFFAOYSA-N 1 1 267.325 1.786 20 10 CDCDMO CCC[N@@H+](CC(=O)OC)Cc1cc(OC)ccc1O ZINC000183377394 391263773 /nfs/dbraw/zinc/26/37/73/391263773.db2.gz JSEDZDHDZAFWQN-UHFFFAOYSA-N 1 1 267.325 1.786 20 10 CDCDMO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185330812 262050986 /nfs/dbraw/zinc/05/09/86/262050986.db2.gz KPVFILIAUXVLQB-VIFPVBQESA-N 1 1 275.345 1.617 20 10 CDCDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000281249105 277254999 /nfs/dbraw/zinc/25/49/99/277254999.db2.gz WZPQYAXEYIWWTM-MRXNPFEDSA-N 1 1 293.386 1.850 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000092218372 327190181 /nfs/dbraw/zinc/19/01/81/327190181.db2.gz FIVFFBYWGXQOFZ-INIZCTEOSA-N 1 1 290.407 1.997 20 10 CDCDMO Cc1cccc(C[NH2+]CCCN2CCN(C)CC2)c1O ZINC000159732366 330850828 /nfs/dbraw/zinc/85/08/28/330850828.db2.gz NXVPLYZPJUXNGW-UHFFFAOYSA-N 1 1 277.412 1.428 20 10 CDCDMO 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/nfs/dbraw/zinc/08/61/25/575086125.db2.gz VFRHVWBOJXSHLH-QMMMGPOBSA-N 1 1 252.339 1.420 20 10 CDCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCOC1 ZINC000768448104 575130413 /nfs/dbraw/zinc/13/04/13/575130413.db2.gz BKRVGTSVDVJQNL-ZWNOBZJWSA-N 1 1 265.309 1.039 20 10 CDCDMO CCOC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771832555 575622767 /nfs/dbraw/zinc/62/27/67/575622767.db2.gz KDFCKSFCGKQGMP-HNNXBMFYSA-N 1 1 291.439 1.953 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](CO)C1 ZINC000771928179 575637894 /nfs/dbraw/zinc/63/78/94/575637894.db2.gz QUAMRBMHPFPTPE-NSHDSACASA-N 1 1 251.326 1.605 20 10 CDCDMO Cn1cc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cn1 ZINC000768438532 576282756 /nfs/dbraw/zinc/28/27/56/576282756.db2.gz BGKJSIMMDIKIJR-CQSZACIVSA-N 1 1 289.335 1.184 20 10 CDCDMO CC[N@@H+](CCC(=O)OC)Cc1c(O)cccc1OC ZINC000768993365 576321530 /nfs/dbraw/zinc/32/15/30/576321530.db2.gz VHZGWLCGGAMPJN-UHFFFAOYSA-N 1 1 267.325 1.786 20 10 CDCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@]2(CO)CCOC2)c1O ZINC000763882452 576762831 /nfs/dbraw/zinc/76/28/31/576762831.db2.gz UFAKTNSAUQGOJA-HNNXBMFYSA-N 1 1 297.326 1.317 20 10 CDCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@]2(CO)CCOC2)c1O ZINC000763882452 576762833 /nfs/dbraw/zinc/76/28/33/576762833.db2.gz UFAKTNSAUQGOJA-HNNXBMFYSA-N 1 1 297.326 1.317 20 10 CDCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@@H]1CN(C)CCO1 ZINC000756759548 577003449 /nfs/dbraw/zinc/00/34/49/577003449.db2.gz MNEDUVBBYOBHLD-RWSFTLGLSA-N 1 1 282.359 1.901 20 10 CDCDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1O ZINC000757663530 577049253 /nfs/dbraw/zinc/04/92/53/577049253.db2.gz CBVROKSKVSKPSN-FZMZJTMJSA-N 1 1 289.379 1.674 20 10 CDCDMO O=C(CC[NH+]1CCOCC1)NCc1cccc(Cl)c1O ZINC000890757888 617320455 /nfs/dbraw/zinc/32/04/55/617320455.db2.gz LXCWGPSQENUUIU-UHFFFAOYSA-N 1 1 298.770 1.384 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000840977852 617984393 /nfs/dbraw/zinc/98/43/93/617984393.db2.gz KLSNYKGFOHXXBF-RYUDHWBXSA-N 1 1 265.353 1.994 20 10 CDCDMO COc1cc(C)cc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)c1O ZINC000894092735 618379433 /nfs/dbraw/zinc/37/94/33/618379433.db2.gz AINYHHWOVOHMLZ-WCQYABFASA-N 1 1 281.352 1.291 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c1O ZINC000894092735 618379441 /nfs/dbraw/zinc/37/94/41/618379441.db2.gz AINYHHWOVOHMLZ-WCQYABFASA-N 1 1 281.352 1.291 20 10 CDCDMO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894430453 618882382 /nfs/dbraw/zinc/88/23/82/618882382.db2.gz FYUIBKLRNKWICK-RKDXNWHRSA-N 1 1 257.280 1.873 20 10 CDCDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894430453 618882385 /nfs/dbraw/zinc/88/23/85/618882385.db2.gz FYUIBKLRNKWICK-RKDXNWHRSA-N 1 1 257.280 1.873 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CCN3CCOC[C@H]3C2)c1O ZINC000894455458 618896866 /nfs/dbraw/zinc/89/68/66/618896866.db2.gz CLIZGPFSUABOLF-CQSZACIVSA-N 1 1 292.379 1.226 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000894538347 618948994 /nfs/dbraw/zinc/94/89/94/618948994.db2.gz JUJABSXTXCVHCO-PWSUYJOCSA-N 1 1 251.326 1.664 20 10 CDCDMO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894545974 618954904 /nfs/dbraw/zinc/95/49/04/618954904.db2.gz ZEKPSQNAARRXJA-GFCCVEGCSA-N 1 1 296.317 1.867 20 10 CDCDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894545974 618954910 /nfs/dbraw/zinc/95/49/10/618954910.db2.gz ZEKPSQNAARRXJA-GFCCVEGCSA-N 1 1 296.317 1.867 20 10 CDCDMO COc1cc(C)cc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)c1O ZINC000894565851 618966295 /nfs/dbraw/zinc/96/62/95/618966295.db2.gz HHIDJBNOJJJGBY-YUNKPMOVSA-N 1 1 297.420 1.910 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)c1O ZINC000894565851 618966297 /nfs/dbraw/zinc/96/62/97/618966297.db2.gz HHIDJBNOJJJGBY-YUNKPMOVSA-N 1 1 297.420 1.910 20 10 CDCDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894992591 619181472 /nfs/dbraw/zinc/18/14/72/619181472.db2.gz KLEZJNRAWAUTEN-VIFPVBQESA-N 1 1 284.306 1.581 20 10 CDCDMO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894992591 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/nfs/dbraw/zinc/67/13/36/576671336.db2.gz BEYUKHFKVFCBPG-LKFCYVNXSA-N 1 1 286.322 1.388 20 10 CDCDMO C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000762784872 576671339 /nfs/dbraw/zinc/67/13/39/576671339.db2.gz BEYUKHFKVFCBPG-LKFCYVNXSA-N 1 1 286.322 1.388 20 10 CDCDMO CCN(C)c1ccc([C@@H](C)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000762790199 576672859 /nfs/dbraw/zinc/67/28/59/576672859.db2.gz YJJWXLFGLTYPOQ-PBHICJAKSA-N 1 1 291.439 1.860 20 10 CDCDMO CCN(C)c1ccc([C@@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762790199 576672862 /nfs/dbraw/zinc/67/28/62/576672862.db2.gz YJJWXLFGLTYPOQ-PBHICJAKSA-N 1 1 291.439 1.860 20 10 CDCDMO COC[C@](C)(O)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756578883 576996782 /nfs/dbraw/zinc/99/67/82/576996782.db2.gz XJHKVDBYIGOJRC-MEBBXXQBSA-N 1 1 297.351 1.227 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(CO)CC2)c1 ZINC000756637721 576997983 /nfs/dbraw/zinc/99/79/83/576997983.db2.gz OZGLYQDJALPAQA-JTQLQIEISA-N 1 1 279.336 1.602 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CCO)C2CC2)c1 ZINC000756739415 577002696 /nfs/dbraw/zinc/00/26/96/577002696.db2.gz NIQHRUWJZGHJDX-HZMBPMFUSA-N 1 1 293.363 1.990 20 10 CDCDMO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)cc1O ZINC000124823295 1175335571 /nfs/dbraw/zinc/33/55/71/1175335571.db2.gz GSLLORKEJKNXNI-LBPRGKRZSA-N 1 1 265.309 1.538 20 10 CDCDMO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC)cc1O ZINC000124823295 1175335576 /nfs/dbraw/zinc/33/55/76/1175335576.db2.gz GSLLORKEJKNXNI-LBPRGKRZSA-N 1 1 265.309 1.538 20 10 CDCDMO COc1ccc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(O)c1OC ZINC000893669268 617819063 /nfs/dbraw/zinc/81/90/63/617819063.db2.gz LSPGNJZXLQRISI-NEPJUHHUSA-N 1 1 294.395 1.934 20 10 CDCDMO COc1ccc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)c(O)c1OC ZINC000893669268 617819065 /nfs/dbraw/zinc/81/90/65/617819065.db2.gz LSPGNJZXLQRISI-NEPJUHHUSA-N 1 1 294.395 1.934 20 10 CDCDMO COc1ccc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)c(O)c1OC ZINC000893669268 617819068 /nfs/dbraw/zinc/81/90/68/617819068.db2.gz 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/nfs/dbraw/zinc/24/99/58/618249958.db2.gz GSAJGTIVORUDCS-TVQRCGJNSA-N 1 1 268.307 1.854 20 10 CDCDMO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CC[C@H]1O ZINC000894497752 618917631 /nfs/dbraw/zinc/91/76/31/618917631.db2.gz PXGURUNVHIQPHX-PRHODGIISA-N 1 1 257.280 1.873 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CC[C@H]1O ZINC000894497752 618917635 /nfs/dbraw/zinc/91/76/35/618917635.db2.gz PXGURUNVHIQPHX-PRHODGIISA-N 1 1 257.280 1.873 20 10 CDCDMO Cc1cccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c1O ZINC000895328492 619567461 /nfs/dbraw/zinc/56/74/61/619567461.db2.gz GPVVOMXBSPBBLH-GXTWGEPZSA-N 1 1 251.326 1.018 20 10 CDCDMO Cc1ccc(C[NH+]2CCN(Cc3nnc[nH]3)CC2)c(O)c1 ZINC000895493630 619694089 /nfs/dbraw/zinc/69/40/89/619694089.db2.gz NOOWDIYPSCZEBD-UHFFFAOYSA-N 1 1 287.367 1.137 20 10 CDCDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC000895574911 619732934 /nfs/dbraw/zinc/73/29/34/619732934.db2.gz AKPOCHVLCWJHRJ-GASCZTMLSA-N 1 1 274.364 1.611 20 10 CDCDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000896960611 620321809 /nfs/dbraw/zinc/32/18/09/620321809.db2.gz NKRCIRCJTQOENL-JTQLQIEISA-N 1 1 267.300 1.916 20 10 CDCDMO COCCNCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000841048116 621593036 /nfs/dbraw/zinc/59/30/36/621593036.db2.gz LPQKYWFDJGEQFI-UHFFFAOYSA-N 1 1 265.401 1.387 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCON)c1 ZINC000902424800 624793530 /nfs/dbraw/zinc/79/35/30/624793530.db2.gz LKDVIZKRGFVDQD-VIFPVBQESA-N 1 1 268.313 1.110 20 10 CDCDMO C[C@H]([NH2+]Cc1ncnn1C)c1ccc(N(C)C)cc1 ZINC000152953311 631432849 /nfs/dbraw/zinc/43/28/49/631432849.db2.gz SNACPDVJCMLFOT-NSHDSACASA-N 1 1 259.357 1.732 20 10 CDCDMO COCC[NH2+]CCN[C@@H](C)c1cc(C)ccc1O ZINC000817964827 633058005 /nfs/dbraw/zinc/05/80/05/633058005.db2.gz KLPJZISKBZDWCP-LBPRGKRZSA-N 1 1 252.358 1.587 20 10 CDCDMO C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1O ZINC001142509050 1160689020 /nfs/dbraw/zinc/68/90/20/1160689020.db2.gz VLCKTOKRVVKPQP-QPUJVOFHSA-N 1 1 257.280 1.873 20 10 CDCDMO C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1O ZINC001142509050 1160689023 /nfs/dbraw/zinc/68/90/23/1160689023.db2.gz VLCKTOKRVVKPQP-QPUJVOFHSA-N 1 1 257.280 1.873 20 10 CDCDMO CN1CCN(c2ccc(C[NH2+]C[C@H]3C[C@H](O)C3)cc2)CC1 ZINC000873178541 1165518281 /nfs/dbraw/zinc/51/82/81/1165518281.db2.gz WUEKMLNXEJDZSV-JCNLHEQBSA-N 1 1 289.423 1.299 20 10 CDCDMO COCC(COC)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000834891097 844055620 /nfs/dbraw/zinc/05/56/20/844055620.db2.gz MXEGQNPGVMVQMN-MRVPVSSYSA-N 1 1 275.295 1.982 20 10 CDCDMO CC(C)[N@@H+](C)CC(=O)N(C)Cc1ccccc1O ZINC000063467596 844533196 /nfs/dbraw/zinc/53/31/96/844533196.db2.gz CVQAGBYMUOZTRT-UHFFFAOYSA-N 1 1 250.342 1.691 20 10 CDCDMO CO[C@@]1(C[NH2+][C@H](C)c2c(O)cccc2F)CCOC1 ZINC000886590135 844587269 /nfs/dbraw/zinc/58/72/69/844587269.db2.gz OLTSWVNONKYMHC-QMTHXVAHSA-N 1 1 269.316 1.987 20 10 CDCDMO CN(C)c1ccc(C[N@@H+](CCO)C2CCN(C)CC2)cc1 ZINC000155505424 843262070 /nfs/dbraw/zinc/26/20/70/843262070.db2.gz SDRLPQGGOJFBHE-UHFFFAOYSA-N 1 1 291.439 1.641 20 10 CDCDMO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1c(O)cccc1F ZINC000886629557 843356112 /nfs/dbraw/zinc/35/61/12/843356112.db2.gz IBXBLDANAMYOSZ-SNVBAGLBSA-N 1 1 278.331 1.943 20 10 CDCDMO CC(=O)NC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000708433460 843548195 /nfs/dbraw/zinc/54/81/95/843548195.db2.gz KAJGYNXJRFTPIR-UHFFFAOYSA-N 1 1 284.306 1.771 20 10 CDCDMO C[C@H]1CN(CC[NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000882984367 843803439 /nfs/dbraw/zinc/80/34/39/843803439.db2.gz FVJZXIFUUHUHPH-JTQLQIEISA-N 1 1 286.322 1.481 20 10 CDCDMO Cc1ccc(O)c(C[NH+]2CCN(CC(C)(C)O)CC2)c1 ZINC000130003341 843812551 /nfs/dbraw/zinc/81/25/51/843812551.db2.gz VAZHZPUBIPSCPS-UHFFFAOYSA-N 1 1 278.396 1.589 20 10 CDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000191520826 844659762 /nfs/dbraw/zinc/65/97/62/844659762.db2.gz UOFFQJCDZAOOTM-YPMHNXCESA-N 1 1 251.326 1.282 20 10 CDCDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000817676301 845078660 /nfs/dbraw/zinc/07/86/60/845078660.db2.gz CXTAXASIWIERBJ-CFNZNRNTSA-N 1 1 290.363 1.664 20 10 CDCDMO Oc1cc(F)c(Cl)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000816522348 845374023 /nfs/dbraw/zinc/37/40/23/845374023.db2.gz VNIJSEAOQWQZAL-AOOOYVTPSA-N 1 1 270.735 1.836 20 10 CDCDMO C[C@@H]([NH2+]CCCN1CCOCC1)c1c(O)cccc1F ZINC000886487745 845506371 /nfs/dbraw/zinc/50/63/71/845506371.db2.gz SMORFNWEFZTGML-GFCCVEGCSA-N 1 1 282.359 1.904 20 10 CDCDMO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1c(O)cccc1F ZINC000886623652 845566642 /nfs/dbraw/zinc/56/66/42/845566642.db2.gz JVAMENPPAOZSHF-LKFCYVNXSA-N 1 1 266.316 1.851 20 10 CDCDMO CCc1cccc(CN2CC[NH+](CCCCO)CC2)c1O ZINC000848885287 845591091 /nfs/dbraw/zinc/59/10/91/845591091.db2.gz SFBVEVUJMXYQJL-UHFFFAOYSA-N 1 1 292.423 1.845 20 10 CDCDMO COC[C@H](O)C[NH2+]Cc1cccc(Br)c1O ZINC000070589448 845810072 /nfs/dbraw/zinc/81/00/72/845810072.db2.gz SEDPTJIINYNOCT-SECBINFHSA-N 1 1 290.157 1.252 20 10 CDCDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H](C)CO1 ZINC000043751529 845871463 /nfs/dbraw/zinc/87/14/63/845871463.db2.gz UHMUUJWNHPGDQI-NXEZZACHSA-N 1 1 265.309 1.730 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H](C)CO1 ZINC000043751529 845871470 /nfs/dbraw/zinc/87/14/70/845871470.db2.gz UHMUUJWNHPGDQI-NXEZZACHSA-N 1 1 265.309 1.730 20 10 CDCDMO CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000709028047 845946527 /nfs/dbraw/zinc/94/65/27/845946527.db2.gz MRCHRGZEXBGQPE-OAHLLOKOSA-N 1 1 279.336 1.978 20 10 CDCDMO CC(C)[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000709028047 845946538 /nfs/dbraw/zinc/94/65/38/845946538.db2.gz MRCHRGZEXBGQPE-OAHLLOKOSA-N 1 1 279.336 1.978 20 10 CDCDMO OC[C@H]1[C@@H]2C[N@H+](Cc3cc(Cl)c(F)cc3O)C[C@H]12 ZINC000816617247 846074605 /nfs/dbraw/zinc/07/46/05/846074605.db2.gz SHWMEPWYHJPRJM-MYJAWHEDSA-N 1 1 271.719 1.855 20 10 CDCDMO OC[C@H]1[C@@H]2C[N@@H+](Cc3cc(Cl)c(F)cc3O)C[C@H]12 ZINC000816617247 846074612 /nfs/dbraw/zinc/07/46/12/846074612.db2.gz SHWMEPWYHJPRJM-MYJAWHEDSA-N 1 1 271.719 1.855 20 10 CDCDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061528 846119634 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COC[C@@H]1CC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141146342 936820195 /nfs/dbraw/zinc/82/01/95/936820195.db2.gz SSOZPGDOPLBTTL-ZDUSSCGKSA-N 1 1 262.353 1.736 20 10 CDCDMO Oc1ccc(O)c(C[N@H+]2CCC3(C2)OCCO3)c1 ZINC001141158711 936822177 /nfs/dbraw/zinc/82/21/77/936822177.db2.gz KTOVXTQMMOIOAS-UHFFFAOYSA-N 1 1 251.282 1.047 20 10 CDCDMO OC[C@H]1CCn2nccc2C[N@@H+]1Cc1cc(O)ccc1O ZINC001141161922 936822766 /nfs/dbraw/zinc/82/27/66/936822766.db2.gz HQCBRSYDTYJGIQ-CYBMUJFWSA-N 1 1 289.335 1.061 20 10 CDCDMO OC[C@H]1CCn2nccc2C[N@H+]1Cc1cc(O)ccc1O ZINC001141161922 936822767 /nfs/dbraw/zinc/82/27/67/936822767.db2.gz HQCBRSYDTYJGIQ-CYBMUJFWSA-N 1 1 289.335 1.061 20 10 CDCDMO O=C1CCC[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]12 ZINC001141162848 936824145 /nfs/dbraw/zinc/82/41/45/936824145.db2.gz HOFWVPJBNGONLB-GXFFZTMASA-N 1 1 261.321 1.899 20 10 CDCDMO COc1cc(C(=O)N[C@@]2(C)CCC[N@@H+](C)C2)cc(O)c1O ZINC001193119666 923463428 /nfs/dbraw/zinc/46/34/28/923463428.db2.gz KEMZHTATNYEOII-HNNXBMFYSA-N 1 1 294.351 1.321 20 10 CDCDMO [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001205688861 924487776 /nfs/dbraw/zinc/48/77/76/924487776.db2.gz LEIPQEPEEDIGNY-AWEZNQCLSA-N 1 1 286.322 1.346 20 10 CDCDMO CN1CC[C@]2(CCC[N@H+]2Cc2cc(F)ccc2O)C1=O ZINC001273284141 925744983 /nfs/dbraw/zinc/74/49/83/925744983.db2.gz FVFKEJKRPOEKND-OAHLLOKOSA-N 1 1 278.327 1.728 20 10 CDCDMO C[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CCC1=O ZINC001144503841 931863921 /nfs/dbraw/zinc/86/39/21/931863921.db2.gz FIVVBIGAZTVGAT-VIFPVBQESA-N 1 1 265.309 1.604 20 10 CDCDMO Cc1nc(CC[N@H+](C)Cc2c(O)cc(O)cc2O)no1 ZINC001144504634 931865647 /nfs/dbraw/zinc/86/56/47/931865647.db2.gz YCZOJKLPECLCFX-UHFFFAOYSA-N 1 1 279.296 1.169 20 10 CDCDMO Oc1cc(O)c(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c(O)c1 ZINC001144515630 931880883 /nfs/dbraw/zinc/88/08/83/931880883.db2.gz SZPFRDLUGLWNCK-YMTOWFKASA-N 1 1 265.309 1.414 20 10 CDCDMO C[NH2+]C[C@@H](C)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC001117953456 937572710 /nfs/dbraw/zinc/57/27/10/937572710.db2.gz HNLGOGPJJJJSQX-CYBMUJFWSA-N 1 1 295.402 1.607 20 10 CDCDMO Cc1ccc(CN2CC3(CCN3CC[NH+](C)C)C2)c(O)c1 ZINC001276168822 932591167 /nfs/dbraw/zinc/59/11/67/932591167.db2.gz ISQAFNMGKPXJIQ-UHFFFAOYSA-N 1 1 289.423 1.522 20 10 CDCDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]21 ZINC001148218822 932670745 /nfs/dbraw/zinc/67/07/45/932670745.db2.gz MNRKJHVMDWEQOT-CMPLNLGQSA-N 1 1 276.336 1.264 20 10 CDCDMO Oc1ccccc1CN1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001203556448 939693364 /nfs/dbraw/zinc/69/33/64/939693364.db2.gz QCVOKWVEUWOQQB-IYBDPMFKSA-N 1 1 288.391 1.687 20 10 CDCDMO Oc1ccccc1C[N@H+]1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001203556448 939693366 /nfs/dbraw/zinc/69/33/66/939693366.db2.gz QCVOKWVEUWOQQB-IYBDPMFKSA-N 1 1 288.391 1.687 20 10 CDCDMO Oc1ccccc1C[N@@H+]1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001203556448 939693367 /nfs/dbraw/zinc/69/33/67/939693367.db2.gz QCVOKWVEUWOQQB-IYBDPMFKSA-N 1 1 288.391 1.687 20 10 CDCDMO COc1cccc(C[N@@H+](C)CCC(=O)N(C)C)c1O ZINC001203596607 939695723 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CO[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1F ZINC001203930275 939714357 /nfs/dbraw/zinc/71/43/57/939714357.db2.gz QTFCXKHXMVEGHC-UONOGXRCSA-N 1 1 252.333 1.921 20 10 CDCDMO CO[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1F ZINC001203930275 939714359 /nfs/dbraw/zinc/71/43/59/939714359.db2.gz QTFCXKHXMVEGHC-UONOGXRCSA-N 1 1 252.333 1.921 20 10 CDCDMO OC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1O ZINC001204325025 939755476 /nfs/dbraw/zinc/75/54/76/939755476.db2.gz QFSLBFAQTXWMNC-RDJZCZTQSA-N 1 1 290.407 1.462 20 10 CDCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)CO ZINC001204328205 939756461 /nfs/dbraw/zinc/75/64/61/939756461.db2.gz RAIPOOXDBMLDDO-HNNXBMFYSA-N 1 1 264.369 1.072 20 10 CDCDMO COc1cc(C[N@@H+](C)C2CCOCC2)cc(O)c1O ZINC001204344745 939758273 /nfs/dbraw/zinc/75/82/73/939758273.db2.gz YCKYOMABVVOIIV-UHFFFAOYSA-N 1 1 267.325 1.717 20 10 CDCDMO COc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)cc(O)c1O ZINC001204344806 939758402 /nfs/dbraw/zinc/75/84/02/939758402.db2.gz ZBRZEBNOEUAGTL-ONGXEEELSA-N 1 1 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ZINC000768215488 576264928 /nfs/dbraw/zinc/26/49/28/576264928.db2.gz VIHBKFALBWVPNB-UHFFFAOYSA-N 1 1 292.379 1.845 20 10 CDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCn2cccn2)c1 ZINC000756682905 577000023 /nfs/dbraw/zinc/00/00/23/577000023.db2.gz BAZKCTPPWUMTGA-LLVKDONJSA-N 1 1 289.335 1.726 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](CO)C2)c1O ZINC000893985316 618238056 /nfs/dbraw/zinc/23/80/56/618238056.db2.gz BBYYUMUJFPKKGH-NSHDSACASA-N 1 1 251.326 1.523 20 10 CDCDMO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2N)c1O ZINC000818431284 618509010 /nfs/dbraw/zinc/50/90/10/618509010.db2.gz IKEZXWFXBDSGCG-VXGBXAGGSA-N 1 1 250.342 1.760 20 10 CDCDMO COc1cccc(CN[C@@H]2CCCC[C@H]2[NH3+])c1O ZINC000818431284 618509012 /nfs/dbraw/zinc/50/90/12/618509012.db2.gz IKEZXWFXBDSGCG-VXGBXAGGSA-N 1 1 250.342 1.760 20 10 CDCDMO COc1cc(C)cc(C[NH2+]C[C@@H](O)CN2CCCC2)c1O ZINC000894200149 618688244 /nfs/dbraw/zinc/68/82/44/618688244.db2.gz KBQKKUGCHBCLAE-CQSZACIVSA-N 1 1 294.395 1.256 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c1O ZINC000894500944 618927010 /nfs/dbraw/zinc/92/70/10/618927010.db2.gz SLHLMUYVVNAJIR-MFKMUULPSA-N 1 1 292.379 1.795 20 10 CDCDMO CC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@H]1CCNC1=O ZINC000894664740 619008007 /nfs/dbraw/zinc/00/80/07/619008007.db2.gz ZNDGYUFSAHEOMD-LBPRGKRZSA-N 1 1 278.352 1.420 20 10 CDCDMO COc1ccc(C[N@@H+](C)CC2(C)COC2)c(O)c1OC ZINC000895582626 619745699 /nfs/dbraw/zinc/74/56/99/619745699.db2.gz WDMQNYWDQHBVPD-UHFFFAOYSA-N 1 1 281.352 1.878 20 10 CDCDMO COc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1OC ZINC000895925494 619903642 /nfs/dbraw/zinc/90/36/42/619903642.db2.gz BAMZBUUHTPURFI-TXEJJXNPSA-N 1 1 279.336 1.488 20 10 CDCDMO COc1cccc(C[N@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1O ZINC000895921273 619910419 /nfs/dbraw/zinc/91/04/19/619910419.db2.gz PAUBDVSOZRSLDV-IJLUTSLNSA-N 1 1 292.379 1.840 20 10 CDCDMO COc1cccc(C[N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1O ZINC000895921273 619910422 /nfs/dbraw/zinc/91/04/22/619910422.db2.gz 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[NH3+][C@H]1C[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001601205941 1174788889 /nfs/dbraw/zinc/78/88/89/1174788889.db2.gz XULNOSVRTOEPNV-WVSHTKLVSA-N 1 1 298.770 1.670 20 10 CDCDMO CN(C)c1ccc(C[N@@H+]2CCC3(C2)OCCO3)cc1F ZINC000131013065 697834131 /nfs/dbraw/zinc/83/41/31/697834131.db2.gz JGVIYQGIFYHVMJ-UHFFFAOYSA-N 1 1 280.343 1.841 20 10 CDCDMO CN(C)c1ccc(C[N@H+]2CCC3(C2)OCCO3)cc1F ZINC000131013065 697834134 /nfs/dbraw/zinc/83/41/34/697834134.db2.gz JGVIYQGIFYHVMJ-UHFFFAOYSA-N 1 1 280.343 1.841 20 10 CDCDMO COc1cccc(O)c1C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000789764193 697887949 /nfs/dbraw/zinc/88/79/49/697887949.db2.gz UKEWMDVUQFPGNZ-CYBMUJFWSA-N 1 1 294.395 1.553 20 10 CDCDMO COc1cc(O)c(C[N@H+]2C[C@H](O)CC[C@H]2C)cc1OC ZINC000817414602 697897564 /nfs/dbraw/zinc/89/75/64/697897564.db2.gz MAXIQLQPYOWACB-ZYHUDNBSSA-N 1 1 281.352 1.755 20 10 CDCDMO CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000846843442 698017748 /nfs/dbraw/zinc/01/77/48/698017748.db2.gz CMWMBOHDCOTSCW-RYUDHWBXSA-N 1 1 282.384 1.364 20 10 CDCDMO CCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000846843442 698017752 /nfs/dbraw/zinc/01/77/52/698017752.db2.gz CMWMBOHDCOTSCW-RYUDHWBXSA-N 1 1 282.384 1.364 20 10 CDCDMO COCCC[N@@H+](CCO)Cc1c(O)cccc1OC ZINC000783730945 698066783 /nfs/dbraw/zinc/06/67/83/698066783.db2.gz XFQUJNAXSQBHKK-UHFFFAOYSA-N 1 1 269.341 1.232 20 10 CDCDMO CCc1cccc(C[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)c1O ZINC000848919863 698117185 /nfs/dbraw/zinc/11/71/85/698117185.db2.gz UAHCCJZVTOPGPB-UONOGXRCSA-N 1 1 293.363 1.310 20 10 CDCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846476792 698176771 /nfs/dbraw/zinc/17/67/71/698176771.db2.gz QOLIQUBZIWRCFA-CYBMUJFWSA-N 1 1 298.770 1.383 20 10 CDCDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846476792 698176788 /nfs/dbraw/zinc/17/67/88/698176788.db2.gz QOLIQUBZIWRCFA-CYBMUJFWSA-N 1 1 298.770 1.383 20 10 CDCDMO NC(=O)CC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000817411660 698306052 /nfs/dbraw/zinc/30/60/52/698306052.db2.gz XCWWTMYDQRPSCP-UHFFFAOYSA-N 1 1 286.734 1.930 20 10 CDCDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876728588 698315687 /nfs/dbraw/zinc/31/56/87/698315687.db2.gz QHFJESZQUBVKJP-CYBMUJFWSA-N 1 1 262.353 1.659 20 10 CDCDMO COc1ccc(O)c(CN[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000841061000 698331779 /nfs/dbraw/zinc/33/17/79/698331779.db2.gz DCBZUXOBTNQBDY-CMPLNLGQSA-N 1 1 250.342 1.631 20 10 CDCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000808228323 698589522 /nfs/dbraw/zinc/58/95/22/698589522.db2.gz UAFODRPJZPAZJP-GFCCVEGCSA-N 1 1 262.353 1.706 20 10 CDCDMO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1c(O)cccc1F ZINC000886555338 698614523 /nfs/dbraw/zinc/61/45/23/698614523.db2.gz PVQDDSZDQQUZJT-DTWKUNHWSA-N 1 1 275.345 1.615 20 10 CDCDMO C[C@@H](C[NH3+])C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000841048758 698719955 /nfs/dbraw/zinc/71/99/55/698719955.db2.gz LOCGSOAPBBEDKI-QMMMGPOBSA-N 1 1 273.174 1.839 20 10 CDCDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000843434047 698863397 /nfs/dbraw/zinc/86/33/97/698863397.db2.gz GYWKOMBIHCKWRI-STQMWFEESA-N 1 1 279.336 1.056 20 10 CDCDMO COc1ccc(N(C)C[C@@H](O)C[N@@H+](C)C2CC2)cc1OC ZINC000809936759 698927260 /nfs/dbraw/zinc/92/72/60/698927260.db2.gz OTGGLJRAGKJUAJ-AWEZNQCLSA-N 1 1 294.395 1.595 20 10 CDCDMO CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@@H]1OC ZINC000877474802 704843956 /nfs/dbraw/zinc/84/39/56/704843956.db2.gz GJFJSJLMTMQNOJ-OKILXGFUSA-N 1 1 251.326 1.546 20 10 CDCDMO COc1cccc(O)c1C[N@@H+](C)C[C@H]1COCCO1 ZINC000827140555 704869095 /nfs/dbraw/zinc/86/90/95/704869095.db2.gz LHQGSBQBIYBFOH-NSHDSACASA-N 1 1 267.325 1.248 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000858542758 705038613 /nfs/dbraw/zinc/03/86/13/705038613.db2.gz BHFJMYBTJMSHJD-JBLDHEPKSA-N 1 1 279.336 1.600 20 10 CDCDMO CCC[N@H+]1CC[C@@H](NC(=O)NCc2cc(C)ccc2O)C1 ZINC000858618465 705152199 /nfs/dbraw/zinc/15/21/99/705152199.db2.gz CSVAMDYSPNGZNB-CQSZACIVSA-N 1 1 291.395 1.984 20 10 CDCDMO C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(F)cc1O ZINC000815640342 848193694 /nfs/dbraw/zinc/19/36/94/848193694.db2.gz VMATVCBUHBLANL-JTQLQIEISA-N 1 1 278.331 1.943 20 10 CDCDMO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000817943313 848262233 /nfs/dbraw/zinc/26/22/33/848262233.db2.gz UHBHWXOGBUISCX-APHBMKBZSA-N 1 1 277.412 1.910 20 10 CDCDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000700793094 848280896 /nfs/dbraw/zinc/28/08/96/848280896.db2.gz PIVZUXBWIRRQLW-LLVKDONJSA-N 1 1 278.352 1.560 20 10 CDCDMO COc1cccc(C[N@@H+](C)C[C@@H](O)C2CC2)c1O ZINC000809751485 848289725 /nfs/dbraw/zinc/28/97/25/848289725.db2.gz IGNPHKCXKLPNOT-GFCCVEGCSA-N 1 1 251.326 1.604 20 10 CDCDMO CCc1cccc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)c1O ZINC000848913362 848382811 /nfs/dbraw/zinc/38/28/11/848382811.db2.gz UZIRFQQRVTXSEN-LBPRGKRZSA-N 1 1 297.420 1.821 20 10 CDCDMO CCOc1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC000843120842 848579431 /nfs/dbraw/zinc/57/94/31/848579431.db2.gz WQQGMOATMXXJPU-INIZCTEOSA-N 1 1 276.380 1.976 20 10 CDCDMO Cc1ccc(O)c([C@@H](C)NC[C@H](O)C[NH+](C)C)c1 ZINC000717354926 848585766 /nfs/dbraw/zinc/58/57/66/848585766.db2.gz RNCIQEAZWWPKFZ-NEPJUHHUSA-N 1 1 252.358 1.274 20 10 CDCDMO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000859770997 848691665 /nfs/dbraw/zinc/69/16/65/848691665.db2.gz FSMILQGGVLPFAY-MRXNPFEDSA-N 1 1 278.396 1.990 20 10 CDCDMO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000859770997 848691676 /nfs/dbraw/zinc/69/16/76/848691676.db2.gz FSMILQGGVLPFAY-MRXNPFEDSA-N 1 1 278.396 1.990 20 10 CDCDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(O)c1O ZINC000848351916 848742377 /nfs/dbraw/zinc/74/23/77/848742377.db2.gz HOGUABJKHXNAPI-OLZOCXBDSA-N 1 1 290.363 1.845 20 10 CDCDMO Oc1cccc(Cl)c1CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252674326 848874545 /nfs/dbraw/zinc/87/45/45/848874545.db2.gz QFTJDBXOORTOFQ-NWDGAFQWSA-N 1 1 296.798 1.998 20 10 CDCDMO CCn1cnnc1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883009819 848884665 /nfs/dbraw/zinc/88/46/65/848884665.db2.gz VFKWXFDMSOUFET-UHFFFAOYSA-N 1 1 282.294 1.614 20 10 CDCDMO COc1c(O)c(C[NH2+][C@]2(C)CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000775060696 849032246 /nfs/dbraw/zinc/03/22/46/849032246.db2.gz MFDHIDVLFSOGRQ-LKFCYVNXSA-N 1 1 296.323 1.966 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c1 ZINC000827699119 849080302 /nfs/dbraw/zinc/08/03/02/849080302.db2.gz FFRGTTWZIBJZOE-NHYWBVRUSA-N 1 1 265.353 1.851 20 10 CDCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)CO ZINC000929185777 849124234 /nfs/dbraw/zinc/12/42/34/849124234.db2.gz ZDLCPQFPOCBHDP-MRXNPFEDSA-N 1 1 278.396 1.462 20 10 CDCDMO Cc1nnc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)[nH]1 ZINC000392441836 849245979 /nfs/dbraw/zinc/24/59/79/849245979.db2.gz DTFKFYMIEWGXJF-SSDOTTSWSA-N 1 1 276.296 1.398 20 10 CDCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000877764804 849308339 /nfs/dbraw/zinc/30/83/39/849308339.db2.gz PMWCQHAQXTXTTE-IYBDPMFKSA-N 1 1 292.423 1.565 20 10 CDCDMO COC(=O)N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000092217348 849330529 /nfs/dbraw/zinc/33/05/29/849330529.db2.gz IWOCVTBCKYUYNE-UHFFFAOYSA-N 1 1 264.325 1.585 20 10 CDCDMO COc1cccc(C[N@H+](C)CCCN(C)C)c1O ZINC000211530028 849512627 /nfs/dbraw/zinc/51/26/27/849512627.db2.gz JPDAVUFSLSJVHL-UHFFFAOYSA-N 1 1 252.358 1.784 20 10 CDCDMO COc1cccc(C[N@@H+](C)CCCN(C)C)c1O ZINC000211530028 849512634 /nfs/dbraw/zinc/51/26/34/849512634.db2.gz JPDAVUFSLSJVHL-UHFFFAOYSA-N 1 1 252.358 1.784 20 10 CDCDMO OC[C@H]1CSCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000877780346 849542351 /nfs/dbraw/zinc/54/23/51/849542351.db2.gz NKWJALASYRFCGY-NSHDSACASA-N 1 1 273.785 1.955 20 10 CDCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1COCC[C@H]1O ZINC000865749983 849570364 /nfs/dbraw/zinc/57/03/64/849570364.db2.gz JWXPOEUGVQBOJI-MWLCHTKSSA-N 1 1 275.707 1.424 20 10 CDCDMO CC[N@@H+](CCNC(=O)Cc1ccc(N)cc1)C(C)C ZINC000236860118 849698636 /nfs/dbraw/zinc/69/86/36/849698636.db2.gz PIRJKYJVOPHQIY-UHFFFAOYSA-N 1 1 263.385 1.658 20 10 CDCDMO OCCC[N@H+](CCO)Cc1c(O)ccc(Cl)c1F ZINC000792168052 849730929 /nfs/dbraw/zinc/73/09/29/849730929.db2.gz ZWLXGWWXTJTRFI-UHFFFAOYSA-N 1 1 277.723 1.361 20 10 CDCDMO OCCC[N@@H+](CCO)Cc1c(O)ccc(Cl)c1F ZINC000792168052 849730932 /nfs/dbraw/zinc/73/09/32/849730932.db2.gz ZWLXGWWXTJTRFI-UHFFFAOYSA-N 1 1 277.723 1.361 20 10 CDCDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(O)c1O ZINC000886598347 849731671 /nfs/dbraw/zinc/73/16/71/849731671.db2.gz YGDLINWAJQQTNO-LBPRGKRZSA-N 1 1 292.379 1.900 20 10 CDCDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(O)c1O ZINC000886598347 849731680 /nfs/dbraw/zinc/73/16/80/849731680.db2.gz YGDLINWAJQQTNO-LBPRGKRZSA-N 1 1 292.379 1.900 20 10 CDCDMO CC[C@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[C@@H]1[NH3+] ZINC000843052844 849844275 /nfs/dbraw/zinc/84/42/75/849844275.db2.gz VRXPTDUUZLXAMP-AAEUAGOBSA-N 1 1 294.395 1.969 20 10 CDCDMO CNC(=O)N1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876768815 850073129 /nfs/dbraw/zinc/07/31/29/850073129.db2.gz NSFDNPDEKZFNLY-UHFFFAOYSA-N 1 1 263.341 1.158 20 10 CDCDMO CC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)NC ZINC000825315514 850121804 /nfs/dbraw/zinc/12/18/04/850121804.db2.gz COWSOOMIDHPCCC-VIFPVBQESA-N 1 1 274.723 1.799 20 10 CDCDMO O=C1CCCN1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708454235 850134397 /nfs/dbraw/zinc/13/43/97/850134397.db2.gz NVAUMFDQYRDMCR-UHFFFAOYSA-N 1 1 270.279 1.382 20 10 CDCDMO CO[C@]1(C[NH2+][C@H](C)c2c(O)cccc2F)CCOC1 ZINC000886590136 850454441 /nfs/dbraw/zinc/45/44/41/850454441.db2.gz OLTSWVNONKYMHC-YGRLFVJLSA-N 1 1 269.316 1.987 20 10 CDCDMO CC(C)(C)c1cccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC001143103562 921258864 /nfs/dbraw/zinc/25/88/64/921258864.db2.gz FMSUWTHXNFHPPP-TZMCWYRMSA-N 1 1 279.380 1.475 20 10 CDCDMO Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)ccc1N(C)C ZINC001139669571 936319770 /nfs/dbraw/zinc/31/97/70/936319770.db2.gz BEDUQKCRELTIOH-HIFRSBDPSA-N 1 1 266.360 1.966 20 10 CDCDMO COc1ccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c(O)c1Cl ZINC001206443876 916884664 /nfs/dbraw/zinc/88/46/64/916884664.db2.gz ABQQGVSKYMQOIP-NXEZZACHSA-N 1 1 288.750 1.925 20 10 CDCDMO OC[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@@H]1O ZINC001237135578 917325363 /nfs/dbraw/zinc/32/53/63/917325363.db2.gz KBEZHMYQFZQQAI-SKDRFNHKSA-N 1 1 291.269 1.196 20 10 CDCDMO C[NH+](C)CCN(CC[NH+](C)C)Cc1c([O-])cccc1F ZINC001137837773 936418800 /nfs/dbraw/zinc/41/88/00/936418800.db2.gz UMONGHFGPRSGOU-UHFFFAOYSA-N 1 1 283.391 1.457 20 10 CDCDMO C[C@]1(O)COCC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138123589 936473959 /nfs/dbraw/zinc/47/39/59/936473959.db2.gz AMCBMDKLNQXITG-CYBMUJFWSA-N 1 1 255.289 1.115 20 10 CDCDMO C[C@]1(O)COCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138123589 936473963 /nfs/dbraw/zinc/47/39/63/936473963.db2.gz AMCBMDKLNQXITG-CYBMUJFWSA-N 1 1 255.289 1.115 20 10 CDCDMO C[C@@]1(O)COCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140058066 936675238 /nfs/dbraw/zinc/67/52/38/936675238.db2.gz RPWLOBLAXMPUFO-ZDUSSCGKSA-N 1 1 255.289 1.115 20 10 CDCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464174 936712821 /nfs/dbraw/zinc/71/28/21/936712821.db2.gz FHEGMTHKYFKPNZ-GFCCVEGCSA-N 1 1 268.744 1.756 20 10 CDCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660450 936736548 /nfs/dbraw/zinc/73/65/48/936736548.db2.gz RXQNJDQWRURXNB-IUODEOHRSA-N 1 1 294.370 1.617 20 10 CDCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c1O ZINC001140742470 936748412 /nfs/dbraw/zinc/74/84/12/936748412.db2.gz PLEICSYOAADDQH-JQWIXIFHSA-N 1 1 255.289 1.311 20 10 CDCDMO OC[C@H]1C[N@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001137831577 922451529 /nfs/dbraw/zinc/45/15/29/922451529.db2.gz GCLHLFMITZWODK-SECBINFHSA-N 1 1 275.270 1.981 20 10 CDCDMO OC[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCC1(F)F ZINC001137831577 922451536 /nfs/dbraw/zinc/45/15/36/922451536.db2.gz GCLHLFMITZWODK-SECBINFHSA-N 1 1 275.270 1.981 20 10 CDCDMO COC(=O)CC[N@@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141030706 936794761 /nfs/dbraw/zinc/79/47/61/936794761.db2.gz HMSWFCQDMFAGOP-UHFFFAOYSA-N 1 1 283.324 1.404 20 10 CDCDMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141160001 936822082 /nfs/dbraw/zinc/82/20/82/936822082.db2.gz OWBGZWKVQLWPKD-LLVKDONJSA-N 1 1 278.352 1.398 20 10 CDCDMO CO[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141139831 936818406 /nfs/dbraw/zinc/81/84/06/936818406.db2.gz CUGJMIKVIIYQRM-ZDUSSCGKSA-N 1 1 262.353 1.736 20 10 CDCDMO CN1CCOc2cc(C[N@H+]3CCC[C@H](O)C3)ccc21 ZINC001141139063 936818616 /nfs/dbraw/zinc/81/86/16/936818616.db2.gz HPLRQMFRPVYLDM-ZDUSSCGKSA-N 1 1 262.353 1.472 20 10 CDCDMO CO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141139830 936819047 /nfs/dbraw/zinc/81/90/47/936819047.db2.gz CUGJMIKVIIYQRM-CYBMUJFWSA-N 1 1 262.353 1.736 20 10 CDCDMO C[N@@H+](Cc1cc(O)ccc1O)[C@H]1CCC2(C1)OCCO2 ZINC001141161304 936822879 /nfs/dbraw/zinc/82/28/79/936822879.db2.gz CYRVWOYMYRYEGL-LBPRGKRZSA-N 1 1 279.336 1.825 20 10 CDCDMO Cc1cc(C)c(CNC(=O)C[N@H+](C)C(C)C)c(O)c1 ZINC001142590905 937037082 /nfs/dbraw/zinc/03/70/82/937037082.db2.gz UTWIIVZRFSXDGU-UHFFFAOYSA-N 1 1 264.369 1.965 20 10 CDCDMO C[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@@H]1O ZINC001144499418 931858072 /nfs/dbraw/zinc/85/80/72/931858072.db2.gz GGXJQNORFZEDTL-CABZTGNLSA-N 1 1 267.325 1.396 20 10 CDCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@@]1(C)O ZINC001144499429 931858441 /nfs/dbraw/zinc/85/84/41/931858441.db2.gz GJHXGDVBDFIGNS-MEBBXXQBSA-N 1 1 281.352 1.786 20 10 CDCDMO Oc1cc(O)c(C[N@H+]2CC[C@@]3(C2)CCCCO3)c(O)c1 ZINC001144504516 931865619 /nfs/dbraw/zinc/86/56/19/931865619.db2.gz SLWSZDCMXYKAMZ-OAHLLOKOSA-N 1 1 279.336 1.948 20 10 CDCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1Cl ZINC001276372311 935701503 /nfs/dbraw/zinc/70/15/03/935701503.db2.gz OVVXHVIGHPXBDF-ZFWWWQNUSA-N 1 1 296.798 1.869 20 10 CDCDMO O=C1[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2CN1CC1CC1 ZINC001203551723 939692659 /nfs/dbraw/zinc/69/26/59/939692659.db2.gz LNYPWOFLEYAZPV-GJZGRUSLSA-N 1 1 286.375 1.692 20 10 CDCDMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c(O)c1 ZINC001203621003 939697120 /nfs/dbraw/zinc/69/71/20/939697120.db2.gz MYPAGMQTSLQAHH-STQMWFEESA-N 1 1 269.316 1.696 20 10 CDCDMO COC(=O)C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2O)C1 ZINC001203635001 939698710 /nfs/dbraw/zinc/69/87/10/939698710.db2.gz FSMZFQARFJMVJI-LLVKDONJSA-N 1 1 279.336 1.786 20 10 CDCDMO CN1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]2C1=O ZINC001203658361 939699631 /nfs/dbraw/zinc/69/96/31/939699631.db2.gz KOGWLITXTPFNEY-PWSUYJOCSA-N 1 1 280.755 1.566 20 10 CDCDMO Cc1[nH+]cc2n1CCN(Cc1ccc(O)c(O)c1)C2 ZINC001203878054 939710727 /nfs/dbraw/zinc/71/07/27/939710727.db2.gz PGVUDDROHLVGGF-UHFFFAOYSA-N 1 1 259.309 1.619 20 10 CDCDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203878483 939710938 /nfs/dbraw/zinc/71/09/38/939710938.db2.gz AIVNXEVVNAMAMG-CYBMUJFWSA-N 1 1 251.326 1.833 20 10 CDCDMO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(O)cc1O ZINC001204276064 939750144 /nfs/dbraw/zinc/75/01/44/939750144.db2.gz FHUFOKPRKVDTND-ZBINZKHDSA-N 1 1 279.336 1.070 20 10 CDCDMO C[C@]1([NH3+])CCCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001205289613 939877583 /nfs/dbraw/zinc/87/75/83/939877583.db2.gz ZQEBTOLEAMLXNR-AWEZNQCLSA-N 1 1 266.341 1.507 20 10 CDCDMO C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CC[C@@H]1C[NH3+] ZINC001205636134 939910758 /nfs/dbraw/zinc/91/07/58/939910758.db2.gz CNFOLDORPONQJZ-WCQYABFASA-N 1 1 292.379 1.897 20 10 CDCDMO C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001205830169 939942500 /nfs/dbraw/zinc/94/25/00/939942500.db2.gz RMFCWTRPOHFTCT-GXFFZTMASA-N 1 1 278.352 1.650 20 10 CDCDMO C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001205830169 939942504 /nfs/dbraw/zinc/94/25/04/939942504.db2.gz RMFCWTRPOHFTCT-GXFFZTMASA-N 1 1 278.352 1.650 20 10 CDCDMO [NH3+][C@@H]1CCN(Cc2cccc(-c3ccccc3)c2O)C[C@H]1O ZINC001205967133 939962392 /nfs/dbraw/zinc/96/23/92/939962392.db2.gz JXUQTTJZBWDPDB-IAGOWNOFSA-N 1 1 298.386 1.953 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CCC[C@@H]1C[NH3+] ZINC001206011417 939967320 /nfs/dbraw/zinc/96/73/20/939967320.db2.gz CDVSGSKMFHFLGI-DGCLKSJQSA-N 1 1 292.379 1.897 20 10 CDCDMO Cc1cccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)c1O ZINC001206183066 939993091 /nfs/dbraw/zinc/99/30/91/939993091.db2.gz FETYTILFGQIPHI-STQMWFEESA-N 1 1 252.333 1.962 20 10 CDCDMO Cc1cccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c1O ZINC001206183066 939993093 /nfs/dbraw/zinc/99/30/93/939993093.db2.gz FETYTILFGQIPHI-STQMWFEESA-N 1 1 252.333 1.962 20 10 CDCDMO Cc1cccc(C[N@@H+](C)CCN2CCN(C)CC2)c1O ZINC001231592050 942937829 /nfs/dbraw/zinc/93/78/29/942937829.db2.gz ARHUTBRUDOKCAQ-UHFFFAOYSA-N 1 1 277.412 1.380 20 10 CDCDMO Cc1cccc(C[N@H+](C)CCN2CCN(C)CC2)c1O ZINC001231592050 942937839 /nfs/dbraw/zinc/93/78/39/942937839.db2.gz ARHUTBRUDOKCAQ-UHFFFAOYSA-N 1 1 277.412 1.380 20 10 CDCDMO COc1cc(C[N@H+]2CCC(=O)[C@H](C)CC2)c(O)cc1O ZINC001231634063 942949105 /nfs/dbraw/zinc/94/91/05/942949105.db2.gz HFPXTXAHJKNZJN-SNVBAGLBSA-N 1 1 279.336 1.907 20 10 CDCDMO COc1cc(C[N@@H+]2CCC(=O)[C@H](C)CC2)c(O)cc1O ZINC001231634063 942949108 /nfs/dbraw/zinc/94/91/08/942949108.db2.gz HFPXTXAHJKNZJN-SNVBAGLBSA-N 1 1 279.336 1.907 20 10 CDCDMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(O)cc1O ZINC001231633235 942950112 /nfs/dbraw/zinc/95/01/12/942950112.db2.gz LKCDKIBOFDBHOH-PHIMTYICSA-N 1 1 277.320 1.802 20 10 CDCDMO COc1cc(C[N@@H+]2CCc3cnn(C)c3C2)c(O)cc1O ZINC001231639320 942956349 /nfs/dbraw/zinc/95/63/49/942956349.db2.gz PHZQCBWGXWHABY-UHFFFAOYSA-N 1 1 289.335 1.398 20 10 CDCDMO COc1cc(C[N@H+]2CCc3cnn(C)c3C2)c(O)cc1O ZINC001231639320 942956354 /nfs/dbraw/zinc/95/63/54/942956354.db2.gz PHZQCBWGXWHABY-UHFFFAOYSA-N 1 1 289.335 1.398 20 10 CDCDMO Cc1cc(C)c(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC001231847477 943028662 /nfs/dbraw/zinc/02/86/62/943028662.db2.gz YRKAKPYYKLZZSP-LBPRGKRZSA-N 1 1 283.393 1.628 20 10 CDCDMO Cc1cc(C)c(C[NH+]2CCN(CC(C)(C)O)CC2)c(O)c1 ZINC001231850547 943029459 /nfs/dbraw/zinc/02/94/59/943029459.db2.gz RLYMJXBQOIGHKL-UHFFFAOYSA-N 1 1 292.423 1.898 20 10 CDCDMO Oc1cc(O)c(C[N@@H+]2CCc3nncn3CC2)cc1Cl ZINC001232258182 943190931 /nfs/dbraw/zinc/19/09/31/943190931.db2.gz 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CDCDMO COc1c([O-])c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057110 618691291 /nfs/dbraw/zinc/69/12/91/618691291.db2.gz BEYFKKPAIHRKSQ-UWVGGRQHSA-N 1 1 295.339 1.478 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CCSC[C@H]2CO)c1 ZINC000877780551 618707186 /nfs/dbraw/zinc/70/71/86/618707186.db2.gz URCMCSUNSQEISP-GFCCVEGCSA-N 1 1 253.367 1.610 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](C)CC2CC(O)C2)c1O ZINC000894534695 618946504 /nfs/dbraw/zinc/94/65/04/618946504.db2.gz UAIZGSJMLJSCCA-UHFFFAOYSA-N 1 1 265.353 1.912 20 10 CDCDMO Cc1cccc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1O ZINC000895118859 619311226 /nfs/dbraw/zinc/31/12/26/619311226.db2.gz QMJMVCVDITVSMJ-GRYCIOLGSA-N 1 1 262.353 1.798 20 10 CDCDMO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c(O)c1OC ZINC000897676707 621063331 /nfs/dbraw/zinc/06/33/31/621063331.db2.gz WKHDICZDABVODS-MWLCHTKSSA-N 1 1 267.325 1.222 20 10 CDCDMO COc1c(O)c(C[N@H+]2C[C@@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000897679709 621066790 /nfs/dbraw/zinc/06/67/90/621066790.db2.gz KXKHNTXPXOHPPS-LDYMZIIASA-N 1 1 282.296 1.122 20 10 CDCDMO C[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841063801 621623821 /nfs/dbraw/zinc/62/38/21/621623821.db2.gz PLMNTXMJLQQIRE-LURJTMIESA-N 1 1 259.693 1.391 20 10 CDCDMO c1nc(CC[NH2+]Cc2ccc3c(c2)CCCO3)n[nH]1 ZINC000921822652 633322798 /nfs/dbraw/zinc/32/27/98/633322798.db2.gz VNNXLJSMVLAGTE-UHFFFAOYSA-N 1 1 258.325 1.462 20 10 CDCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])c1O ZINC001607655769 1164260990 /nfs/dbraw/zinc/26/09/90/1164260990.db2.gz IUZWAQAEHAIUQY-GFCCVEGCSA-N 1 1 298.770 1.603 20 10 CDCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])c1O ZINC001607655769 1164260993 /nfs/dbraw/zinc/26/09/93/1164260993.db2.gz IUZWAQAEHAIUQY-GFCCVEGCSA-N 1 1 298.770 1.603 20 10 CDCDMO COc1ccc(C[N@H+]2CCC[C@@H](CO)C2)c(O)c1OC ZINC000891393796 710759408 /nfs/dbraw/zinc/75/94/08/710759408.db2.gz RCCLWQHUAYKYQI-LLVKDONJSA-N 1 1 281.352 1.614 20 10 CDCDMO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1c(O)cccc1F ZINC000886626653 705345490 /nfs/dbraw/zinc/34/54/90/705345490.db2.gz HVTXOQKOVYIWAG-VIFPVBQESA-N 1 1 287.356 1.759 20 10 CDCDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862338983 705353758 /nfs/dbraw/zinc/35/37/58/705353758.db2.gz JASKDNILILZIFG-KOLCDFICSA-N 1 1 270.323 1.986 20 10 CDCDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862338983 705353762 /nfs/dbraw/zinc/35/37/62/705353762.db2.gz JASKDNILILZIFG-KOLCDFICSA-N 1 1 270.323 1.986 20 10 CDCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)cc1C ZINC000817412304 705393106 /nfs/dbraw/zinc/39/31/06/705393106.db2.gz IOEHEQHSINSJSZ-AWEZNQCLSA-N 1 1 279.380 1.981 20 10 CDCDMO COc1cccc(CN[C@H]2CC[NH2+][C@H](C)C2)c1O ZINC000841062437 705688671 /nfs/dbraw/zinc/68/86/71/705688671.db2.gz WRYRXSNPXUPRJQ-PWSUYJOCSA-N 1 1 250.342 1.631 20 10 CDCDMO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)C1=CC(=O)CS1 ZINC000885886349 705862688 /nfs/dbraw/zinc/86/26/88/705862688.db2.gz WCOOWPPRXRSSGH-LLVKDONJSA-N 1 1 296.392 1.437 20 10 CDCDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)C1=CC(=O)CS1 ZINC000885886349 705862691 /nfs/dbraw/zinc/86/26/91/705862691.db2.gz WCOOWPPRXRSSGH-LLVKDONJSA-N 1 1 296.392 1.437 20 10 CDCDMO CCc1cccc(C[N@H+]2CCN(C[C@@H](C)O)C[C@H]2C)c1O ZINC000848907890 706051321 /nfs/dbraw/zinc/05/13/21/706051321.db2.gz KGSGNHUQWFKLPY-ZIAGYGMSSA-N 1 1 292.423 1.842 20 10 CDCDMO CCc1cccc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1O ZINC000848907890 706051326 /nfs/dbraw/zinc/05/13/26/706051326.db2.gz KGSGNHUQWFKLPY-ZIAGYGMSSA-N 1 1 292.423 1.842 20 10 CDCDMO CCc1cccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1O ZINC000848907890 706051332 /nfs/dbraw/zinc/05/13/32/706051332.db2.gz KGSGNHUQWFKLPY-ZIAGYGMSSA-N 1 1 292.423 1.842 20 10 CDCDMO CCc1cccc(C[N@@H+](C)CC(=O)NC2CC2)c1O ZINC000848879934 706082758 /nfs/dbraw/zinc/08/27/58/706082758.db2.gz HQUPTTJZJKQKNK-UHFFFAOYSA-N 1 1 262.353 1.665 20 10 CDCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000794649466 706143858 /nfs/dbraw/zinc/14/38/58/706143858.db2.gz LHUMMPAFXKWLFS-ZBFHGGJFSA-N 1 1 293.363 1.819 20 10 CDCDMO CCN1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CC1=O ZINC000824893523 706156605 /nfs/dbraw/zinc/15/66/05/706156605.db2.gz ULDPZDIOLNCBQA-SECBINFHSA-N 1 1 286.734 1.895 20 10 CDCDMO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)nn1C ZINC000840888509 706168058 /nfs/dbraw/zinc/16/80/58/706168058.db2.gz GGRMVJQKJSXEOC-UHFFFAOYSA-N 1 1 257.337 1.953 20 10 CDCDMO CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(F)cc1O ZINC000858547005 706178025 /nfs/dbraw/zinc/17/80/25/706178025.db2.gz CERSSNKNQHFJGE-OCCSQVGLSA-N 1 1 282.359 1.639 20 10 CDCDMO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000857084457 709704630 /nfs/dbraw/zinc/70/46/30/709704630.db2.gz QLNKFPOKJKHOAQ-JOYOIKCWSA-N 1 1 266.316 1.803 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000249487165 709865575 /nfs/dbraw/zinc/86/55/75/709865575.db2.gz UOFFQJCDZAOOTM-WCQYABFASA-N 1 1 251.326 1.282 20 10 CDCDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cc2c(cc1O)OCO2 ZINC000816660978 710003880 /nfs/dbraw/zinc/00/38/80/710003880.db2.gz XCMRSJXAPRPESB-LBPRGKRZSA-N 1 1 278.352 1.647 20 10 CDCDMO CC[C@H]1CN(C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000816660978 710003888 /nfs/dbraw/zinc/00/38/88/710003888.db2.gz XCMRSJXAPRPESB-LBPRGKRZSA-N 1 1 278.352 1.647 20 10 CDCDMO CC[C@H]1CN(C)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000816660978 710003894 /nfs/dbraw/zinc/00/38/94/710003894.db2.gz XCMRSJXAPRPESB-LBPRGKRZSA-N 1 1 278.352 1.647 20 10 CDCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000799950018 710021506 /nfs/dbraw/zinc/02/15/06/710021506.db2.gz BLHPLFHVDLLBDK-CYBMUJFWSA-N 1 1 283.393 1.628 20 10 CDCDMO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1c(O)cccc1F ZINC000886530188 710063089 /nfs/dbraw/zinc/06/30/89/710063089.db2.gz GBBXCFOGVSHZIV-VHSXEESVSA-N 1 1 266.316 1.803 20 10 CDCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877607395 710109246 /nfs/dbraw/zinc/10/92/46/710109246.db2.gz AFBYTGAUMAIYEL-OLZOCXBDSA-N 1 1 279.336 1.056 20 10 CDCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877468105 710135880 /nfs/dbraw/zinc/13/58/80/710135880.db2.gz YWGAZKSACHRSNX-CXAGYDPISA-N 1 1 290.407 1.603 20 10 CDCDMO [NH3+]C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CC12CCOCC2 ZINC000843124407 710244010 /nfs/dbraw/zinc/24/40/10/710244010.db2.gz AJLNRKVBUNQHLY-ZDUSSCGKSA-N 1 1 294.370 1.719 20 10 CDCDMO COc1cccc(O)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000814178568 710349168 /nfs/dbraw/zinc/34/91/68/710349168.db2.gz VNWQETHKGGIYGD-MRXNPFEDSA-N 1 1 276.380 1.928 20 10 CDCDMO COc1cccc(O)c1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000814178568 710349170 /nfs/dbraw/zinc/34/91/70/710349170.db2.gz VNWQETHKGGIYGD-MRXNPFEDSA-N 1 1 276.380 1.928 20 10 CDCDMO COc1cccc(O)c1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000814178568 710349174 /nfs/dbraw/zinc/34/91/74/710349174.db2.gz VNWQETHKGGIYGD-MRXNPFEDSA-N 1 1 276.380 1.928 20 10 CDCDMO C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000854232291 710367214 /nfs/dbraw/zinc/36/72/14/710367214.db2.gz OYHKPAQVGLTIAR-BDAKNGLRSA-N 1 1 253.302 1.559 20 10 CDCDMO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cccc(C(F)(F)F)c1O ZINC000834897907 710384682 /nfs/dbraw/zinc/38/46/82/710384682.db2.gz XFNIARFJYCVWQH-AVPPRXQKSA-N 1 1 291.269 1.821 20 10 CDCDMO CCNC(=O)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000133176848 710442626 /nfs/dbraw/zinc/44/26/26/710442626.db2.gz OSLURZFBWCHGRS-UHFFFAOYSA-N 1 1 256.733 1.614 20 10 CDCDMO CCNC(=O)C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000133176848 710442629 /nfs/dbraw/zinc/44/26/29/710442629.db2.gz OSLURZFBWCHGRS-UHFFFAOYSA-N 1 1 256.733 1.614 20 10 CDCDMO C[C@@H]1CN(Cc2cccc(Br)c2O)CC[NH2+]1 ZINC000092457067 710444201 /nfs/dbraw/zinc/44/42/01/710444201.db2.gz MHZPWQRBMPFJGV-SECBINFHSA-N 1 1 285.185 1.948 20 10 CDCDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCCc1ccc(N)cc1 ZINC000817878005 710549597 /nfs/dbraw/zinc/54/95/97/710549597.db2.gz LJAYXHSWDVXFML-OAHLLOKOSA-N 1 1 290.411 1.547 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000840974820 710556326 /nfs/dbraw/zinc/55/63/26/710556326.db2.gz HVBAGSMOEVVPLF-GDBMZVCRSA-N 1 1 278.396 1.236 20 10 CDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1 ZINC000840957955 710607334 /nfs/dbraw/zinc/60/73/34/710607334.db2.gz NLHIPURACLEVQI-GFCCVEGCSA-N 1 1 292.379 1.701 20 10 CDCDMO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877655972 710756512 /nfs/dbraw/zinc/75/65/12/710756512.db2.gz RIPHWPMGHPYYRZ-AWEZNQCLSA-N 1 1 265.353 1.938 20 10 CDCDMO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000817708669 710828177 /nfs/dbraw/zinc/82/81/77/710828177.db2.gz BCZBOOMIPZFFSR-MRXNPFEDSA-N 1 1 277.412 1.299 20 10 CDCDMO CCOc1cccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1O ZINC000090320349 710836665 /nfs/dbraw/zinc/83/66/65/710836665.db2.gz AUKZNPDPKGIWTR-CHWSQXEVSA-N 1 1 262.353 1.442 20 10 CDCDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnn(C)n1 ZINC000924899456 711358785 /nfs/dbraw/zinc/35/87/85/711358785.db2.gz GDAUIUYKHYUUJX-JTQLQIEISA-N 1 1 258.325 1.601 20 10 CDCDMO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000230666865 711382760 /nfs/dbraw/zinc/38/27/60/711382760.db2.gz ACTNFSFRODDUTA-VIFPVBQESA-N 1 1 290.360 1.121 20 10 CDCDMO CN1CCN(c2ccc(C[NH2+][C@@H](CO)CCF)cc2)CC1 ZINC000846097421 711464736 /nfs/dbraw/zinc/46/47/36/711464736.db2.gz INWQOEUZLFVSRS-OAHLLOKOSA-N 1 1 295.402 1.249 20 10 CDCDMO CO[C@]1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCOC1 ZINC000123284872 711573124 /nfs/dbraw/zinc/57/31/24/711573124.db2.gz ZFJCQGSPRHEQRK-YGRLFVJLSA-N 1 1 269.316 1.987 20 10 CDCDMO Cc1ccc(C[N@H+](CCS(C)(=O)=O)C2CC2)c(O)c1 ZINC000876784811 711598251 /nfs/dbraw/zinc/59/82/51/711598251.db2.gz KODWPNJETHYVHW-UHFFFAOYSA-N 1 1 283.393 1.710 20 10 CDCDMO Cc1ccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c(O)c1 ZINC000876784811 711598253 /nfs/dbraw/zinc/59/82/53/711598253.db2.gz KODWPNJETHYVHW-UHFFFAOYSA-N 1 1 283.393 1.710 20 10 CDCDMO C[C@@H]([NH2+]Cc1cnnn1C)c1cc(F)cc(F)c1O ZINC000806660150 711655618 /nfs/dbraw/zinc/65/56/18/711655618.db2.gz ROGIUVXJBKBQPB-SSDOTTSWSA-N 1 1 268.267 1.650 20 10 CDCDMO CCCn1cc(C[NH2+]Cc2ccc(OC)cc2O)nn1 ZINC000877493559 711659860 /nfs/dbraw/zinc/65/98/60/711659860.db2.gz LTUNKUWGJXVPCS-UHFFFAOYSA-N 1 1 276.340 1.692 20 10 CDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000834905082 711665232 /nfs/dbraw/zinc/66/52/32/711665232.db2.gz FHAPRVBMONIRJP-MEBBXXQBSA-N 1 1 293.363 1.990 20 10 CDCDMO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1c(O)cccc1F ZINC000886633088 711670145 /nfs/dbraw/zinc/67/01/45/711670145.db2.gz MUFKCTPYQXIFSB-UWVGGRQHSA-N 1 1 290.342 1.868 20 10 CDCDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000808229245 711717714 /nfs/dbraw/zinc/71/77/14/711717714.db2.gz OSZKAIFIGCBSQA-LBPRGKRZSA-N 1 1 288.391 1.968 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@]2(C)CO)c1 ZINC000789557458 711756150 /nfs/dbraw/zinc/75/61/50/711756150.db2.gz ICCKMRAMMJTZRS-CQSZACIVSA-N 1 1 251.326 1.748 20 10 CDCDMO Nc1ccc(CCN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925690121 711759714 /nfs/dbraw/zinc/75/97/14/711759714.db2.gz FEUUPGQEUXOCFD-AMSCCUFHSA-N 1 1 257.381 1.397 20 10 CDCDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824533691 711778451 /nfs/dbraw/zinc/77/84/51/711778451.db2.gz KLWZQYKXIYLBDB-OAHLLOKOSA-N 1 1 278.396 1.726 20 10 CDCDMO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(F)cc1O ZINC000062746651 711782611 /nfs/dbraw/zinc/78/26/11/711782611.db2.gz AUHOKNXOYCVGFZ-SKDRFNHKSA-N 1 1 266.316 1.851 20 10 CDCDMO OC[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876660384 711787113 /nfs/dbraw/zinc/78/71/13/711787113.db2.gz SCVHFBBBAOPRPP-OAHLLOKOSA-N 1 1 290.407 1.462 20 10 CDCDMO O=CN1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000827871847 711796839 /nfs/dbraw/zinc/79/68/39/711796839.db2.gz JOUUDSTYYJGADG-UHFFFAOYSA-N 1 1 268.744 1.710 20 10 CDCDMO COc1ccc(N(C)CCC[NH+]2CCOCC2)cc1 ZINC000844353583 711824812 /nfs/dbraw/zinc/82/48/12/711824812.db2.gz ZKIFPFIRQAKZTF-UHFFFAOYSA-N 1 1 264.369 1.854 20 10 CDCDMO COc1ccc(N2CCC([NH2+]C[C@H](N)C3CC3)CC2)cc1 ZINC000841050671 711837246 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ZINC000886605620 681210692 /nfs/dbraw/zinc/21/06/92/681210692.db2.gz VIDICAFNYIGVOX-TUAOUCFPSA-N 1 1 283.343 1.827 20 10 CDCDMO COC(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840911948 681582469 /nfs/dbraw/zinc/58/24/69/681582469.db2.gz VKTSOGVTFSXZAI-UHFFFAOYSA-N 1 1 291.395 1.945 20 10 CDCDMO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1c(O)cccc1F ZINC000886629286 681630588 /nfs/dbraw/zinc/63/05/88/681630588.db2.gz AASARMPGNDLAFW-PSASIEDQSA-N 1 1 280.299 1.329 20 10 CDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C2CCC2)c1 ZINC000834905080 681851271 /nfs/dbraw/zinc/85/12/71/681851271.db2.gz FHAPRVBMONIRJP-BMIGLBTASA-N 1 1 293.363 1.990 20 10 CDCDMO CC[N@@H+](CCNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C ZINC000779523032 681932081 /nfs/dbraw/zinc/93/20/81/681932081.db2.gz YXTVRPLDTCPFDK-SOFGYWHQSA-N 1 1 292.379 1.958 20 10 CDCDMO CCc1cccc(CN2CCc3n[nH]nc3C2)c1O ZINC000827877249 682023525 /nfs/dbraw/zinc/02/35/25/682023525.db2.gz KONVBJYWRANVAS-UHFFFAOYSA-N 1 1 258.325 1.631 20 10 CDCDMO CCc1cccc(C[N@@H+]2CCc3nn[nH]c3C2)c1O ZINC000827877249 682023530 /nfs/dbraw/zinc/02/35/30/682023530.db2.gz KONVBJYWRANVAS-UHFFFAOYSA-N 1 1 258.325 1.631 20 10 CDCDMO CCc1cccc(C[N@H+]2CCc3nn[nH]c3C2)c1O ZINC000827877249 682023537 /nfs/dbraw/zinc/02/35/37/682023537.db2.gz KONVBJYWRANVAS-UHFFFAOYSA-N 1 1 258.325 1.631 20 10 CDCDMO CN(Cc1ccccc1O)C(=O)NCC(F)(F)C[NH3+] ZINC000841971759 682155653 /nfs/dbraw/zinc/15/56/53/682155653.db2.gz VURMKFQIDFTTHB-UHFFFAOYSA-N 1 1 273.283 1.128 20 10 CDCDMO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000817942448 682229730 /nfs/dbraw/zinc/22/97/30/682229730.db2.gz OXKQUZFLSZGXHP-BLLLJJGKSA-N 1 1 287.411 1.837 20 10 CDCDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825600741 682264842 /nfs/dbraw/zinc/26/48/42/682264842.db2.gz QUQJZQJFBULBIV-JTQLQIEISA-N 1 1 296.342 1.697 20 10 CDCDMO COCCOCC[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000808237690 682326844 /nfs/dbraw/zinc/32/68/44/682326844.db2.gz BTZXPUZMDHSPDF-UHFFFAOYSA-N 1 1 283.368 1.804 20 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294.395 1.289 20 10 CDCDMO COc1cccc(O)c1CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000783713796 682640544 /nfs/dbraw/zinc/64/05/44/682640544.db2.gz KGUCBDWTPSHWNK-UHFFFAOYSA-N 1 1 294.395 1.289 20 10 CDCDMO COc1cccc(O)c1CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000783713796 682640549 /nfs/dbraw/zinc/64/05/49/682640549.db2.gz KGUCBDWTPSHWNK-UHFFFAOYSA-N 1 1 294.395 1.289 20 10 CDCDMO OCCC1([NH2+]Cc2cc(F)cc(F)c2O)CCOCC1 ZINC000883045937 682806511 /nfs/dbraw/zinc/80/65/11/682806511.db2.gz SFSAMYSAKBULEX-UHFFFAOYSA-N 1 1 287.306 1.692 20 10 CDCDMO O=C1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC000211586667 682823596 /nfs/dbraw/zinc/82/35/96/682823596.db2.gz SVWJHEXURBIVLR-GFCCVEGCSA-N 1 1 280.755 1.852 20 10 CDCDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC000211586667 682823599 /nfs/dbraw/zinc/82/35/99/682823599.db2.gz SVWJHEXURBIVLR-GFCCVEGCSA-N 1 1 280.755 1.852 20 10 CDCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)COCc1ccco1 ZINC000305241774 682848534 /nfs/dbraw/zinc/84/85/34/682848534.db2.gz 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/nfs/dbraw/zinc/18/27/92/683182792.db2.gz CERSSNKNQHFJGE-GXTWGEPZSA-N 1 1 282.359 1.639 20 10 CDCDMO COc1c(O)c(C[N@@H+](C)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000809692668 683224349 /nfs/dbraw/zinc/22/43/49/683224349.db2.gz CQXXXUTXJHXCCF-LLVKDONJSA-N 1 1 296.323 1.920 20 10 CDCDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000846989648 683271681 /nfs/dbraw/zinc/27/16/81/683271681.db2.gz UCXQBKHUOLFQJE-GFCCVEGCSA-N 1 1 292.379 1.963 20 10 CDCDMO C[C@@H](Cc1cnc[nH]1)C(=O)N(C)Cc1ccccc1O ZINC000847569626 683338930 /nfs/dbraw/zinc/33/89/30/683338930.db2.gz GGDMOJBLYIMRRE-NSHDSACASA-N 1 1 273.336 1.953 20 10 CDCDMO Cc1ccc(O)c(C[N@@H+](CC(N)=O)C2CCCC2)c1 ZINC000132981578 683376465 /nfs/dbraw/zinc/37/64/65/683376465.db2.gz NNQHTWQVHAWTGE-UHFFFAOYSA-N 1 1 262.353 1.931 20 10 CDCDMO COC[C@@H]1CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000816637265 683387345 /nfs/dbraw/zinc/38/73/45/683387345.db2.gz YIUHKLDPBHHFEQ-INIZCTEOSA-N 1 1 276.380 1.744 20 10 CDCDMO O[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876562573 683421106 /nfs/dbraw/zinc/42/11/06/683421106.db2.gz ZSCTWUFAGXRDHE-MRXNPFEDSA-N 1 1 276.380 1.214 20 10 CDCDMO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@H](C)O1 ZINC000846059346 683502800 /nfs/dbraw/zinc/50/28/00/683502800.db2.gz AABBPRNXKVRMTP-AAEUAGOBSA-N 1 1 279.336 1.463 20 10 CDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@H](C)O1 ZINC000846059346 683502816 /nfs/dbraw/zinc/50/28/16/683502816.db2.gz AABBPRNXKVRMTP-AAEUAGOBSA-N 1 1 279.336 1.463 20 10 CDCDMO COc1c(O)c(C[NH2+][C@@H](CO)C2CC2)ccc1[N+](=O)[O-] ZINC000775026972 683526349 /nfs/dbraw/zinc/52/63/49/683526349.db2.gz CSEXBJIVFMFTTB-JTQLQIEISA-N 1 1 282.296 1.170 20 10 CDCDMO C[N@H+](CCS(C)(=O)=O)Cc1cc2c(cc1O)CCCC2 ZINC000160123795 683529777 /nfs/dbraw/zinc/52/97/77/683529777.db2.gz MDZCNAKFZXKHRZ-UHFFFAOYSA-N 1 1 297.420 1.747 20 10 CDCDMO C[N@@H+](CCS(C)(=O)=O)Cc1cc2c(cc1O)CCCC2 ZINC000160123795 683529783 /nfs/dbraw/zinc/52/97/83/683529783.db2.gz MDZCNAKFZXKHRZ-UHFFFAOYSA-N 1 1 297.420 1.747 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](C)C[C@H]2COCCO2)c1O ZINC000853560878 683541037 /nfs/dbraw/zinc/54/10/37/683541037.db2.gz ZIKDWGYFIJPAJS-ZDUSSCGKSA-N 1 1 281.352 1.556 20 10 CDCDMO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1c(O)cccc1F ZINC000886524827 683557102 /nfs/dbraw/zinc/55/71/02/683557102.db2.gz RWLCZWBVRFKWIU-NEPJUHHUSA-N 1 1 282.359 1.903 20 10 CDCDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(N)cc2)C1 ZINC000843490986 683688722 /nfs/dbraw/zinc/68/87/22/683688722.db2.gz PGOZQDRVRFMKJZ-ZBFHGGJFSA-N 1 1 287.407 1.754 20 10 CDCDMO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708518079 683743361 /nfs/dbraw/zinc/74/33/61/683743361.db2.gz ZHFUENFDTAVCLS-QMMMGPOBSA-N 1 1 272.295 1.673 20 10 CDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(N(C)C)CC2)c1 ZINC000841763660 683901374 /nfs/dbraw/zinc/90/13/74/683901374.db2.gz OZMSYNGJFGMEKA-LLVKDONJSA-N 1 1 292.379 1.924 20 10 CDCDMO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886528867 683933726 /nfs/dbraw/zinc/93/37/26/683933726.db2.gz SLXHPMCDXCZZGF-IINYFYTJSA-N 1 1 271.332 1.969 20 10 CDCDMO OC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H]1CCCOC1 ZINC000883146516 683939203 /nfs/dbraw/zinc/93/92/03/683939203.db2.gz PDLJCBHIYLEZAQ-TVQRCGJNSA-N 1 1 287.306 1.548 20 10 CDCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)CN(C)CC ZINC000846807126 683969813 /nfs/dbraw/zinc/96/98/13/683969813.db2.gz AAQLGMHVUHKSIQ-OAHLLOKOSA-N 1 1 280.412 1.917 20 10 CDCDMO c1cc(N2CCOCC2)ccc1CNC[C@H]1CCC[NH2+]C1 ZINC000841033828 684087614 /nfs/dbraw/zinc/08/76/14/684087614.db2.gz ZXBQLEYDQZNKEW-INIZCTEOSA-N 1 1 289.423 1.612 20 10 CDCDMO Cc1ccc(O)c(C[NH2+][C@@H](C)c2nnnn2C2CC2)c1 ZINC000191825427 684265064 /nfs/dbraw/zinc/26/50/64/684265064.db2.gz GYDMGYHOIIPTMB-JTQLQIEISA-N 1 1 273.340 1.873 20 10 CDCDMO C[C@@H]1CN(Cc2ccc(F)c(F)c2O)[C@H](C)C[NH2+]1 ZINC001576809263 1171527979 /nfs/dbraw/zinc/52/79/79/1171527979.db2.gz RKGIMYTVSLOBBU-RKDXNWHRSA-N 1 1 256.296 1.853 20 10 CDCDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001140948209 898959575 /nfs/dbraw/zinc/95/95/75/898959575.db2.gz YHXBFUCTPUQVFV-GJZGRUSLSA-N 1 1 265.353 1.266 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](O)CC2)c(OC)c1 ZINC001141032103 899347192 /nfs/dbraw/zinc/34/71/92/899347192.db2.gz SEGRUVIRUYZJJH-NSHDSACASA-N 1 1 281.352 1.756 20 10 CDCDMO Cc1cc(O)c(C[N@@H+](C)CCO)cc1Br ZINC001236255447 914824666 /nfs/dbraw/zinc/82/46/66/914824666.db2.gz FEHNEQLBIAOWQT-UHFFFAOYSA-N 1 1 274.158 1.887 20 10 CDCDMO C[NH+](C)C[C@@H]1COCCN1Cc1cccc(Cl)c1O ZINC001231912900 911879012 /nfs/dbraw/zinc/87/90/12/911879012.db2.gz DMSGEYCXWNSCNW-GFCCVEGCSA-N 1 1 284.787 1.808 20 10 CDCDMO COc1cc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)cc(O)c1O ZINC001204342826 917886121 /nfs/dbraw/zinc/88/61/21/917886121.db2.gz NGBDWJGWCHEVLH-ONGXEEELSA-N 1 1 271.288 1.011 20 10 CDCDMO COc1cc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)cc(O)c1O ZINC001204342826 917886133 /nfs/dbraw/zinc/88/61/33/917886133.db2.gz NGBDWJGWCHEVLH-ONGXEEELSA-N 1 1 271.288 1.011 20 10 CDCDMO O=C1NCC[C@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@@H]12 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C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1c(O)cccc1Cl ZINC001140341192 936703296 /nfs/dbraw/zinc/70/32/96/936703296.db2.gz BOJCNDWHDLIKCI-UWVGGRQHSA-N 1 1 252.745 1.934 20 10 CDCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464175 936712338 /nfs/dbraw/zinc/71/23/38/936712338.db2.gz FHEGMTHKYFKPNZ-LBPRGKRZSA-N 1 1 268.744 1.756 20 10 CDCDMO OC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001140462921 936712501 /nfs/dbraw/zinc/71/25/01/936712501.db2.gz ODZMUEUENZQAJO-GXFFZTMASA-N 1 1 271.744 1.221 20 10 CDCDMO Cc1c(O)ccc(C[N@H+]2C[C@@H](C)C[C@H]2CO)c1O ZINC001140741707 936748104 /nfs/dbraw/zinc/74/81/04/936748104.db2.gz BAROKKMSHQPYKE-CABZTGNLSA-N 1 1 251.326 1.609 20 10 CDCDMO Cc1c(O)ccc(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)c1O ZINC001140748490 936749746 /nfs/dbraw/zinc/74/97/46/936749746.db2.gz HMYWIHSGVVVKNM-OCCSQVGLSA-N 1 1 276.380 1.932 20 10 CDCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@@H]3CN(C)C[C@@H]32)c1O ZINC001140748490 936749747 /nfs/dbraw/zinc/74/97/47/936749747.db2.gz HMYWIHSGVVVKNM-OCCSQVGLSA-N 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CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1[NH3+] ZINC000843053665 723632911 /nfs/dbraw/zinc/63/29/11/723632911.db2.gz QBLUCGODVBCCFH-PWSUYJOCSA-N 1 1 278.352 1.680 20 10 CDCDMO O=C1NCCC[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000839195025 723247441 /nfs/dbraw/zinc/24/74/41/723247441.db2.gz FELHMQYTSSWKAK-QMMMGPOBSA-N 1 1 286.734 1.801 20 10 CDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850579469 723254680 /nfs/dbraw/zinc/25/46/80/723254680.db2.gz XXWWHHCYQDGODP-FBIMIBRVSA-N 1 1 265.309 1.353 20 10 CDCDMO C[NH2+]C[C@@H]1CCN(Cc2cccc(OC)c2O)C1 ZINC000071141865 723344504 /nfs/dbraw/zinc/34/45/04/723344504.db2.gz JQTFQLKRQPDKHG-NSHDSACASA-N 1 1 250.342 1.442 20 10 CDCDMO COc1cc(C)cc(C[N@H+](C)CC(=O)NC(C)C)c1O ZINC000111952083 723454864 /nfs/dbraw/zinc/45/48/64/723454864.db2.gz HJPJRQFCYNFYRZ-UHFFFAOYSA-N 1 1 280.368 1.666 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](C)CC(=O)NC(C)C)c1O ZINC000111952083 723454869 /nfs/dbraw/zinc/45/48/69/723454869.db2.gz HJPJRQFCYNFYRZ-UHFFFAOYSA-N 1 1 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/nfs/dbraw/zinc/95/37/52/725953752.db2.gz QUEBTRASPHAZKP-BETUJISGSA-N 1 1 294.395 1.288 20 10 CDCDMO CN1CCOc2cc(C[N@H+]3CCC[C@@H]([NH3+])CC3)ccc21 ZINC001205110730 913689722 /nfs/dbraw/zinc/68/97/22/913689722.db2.gz ZFDZWQUSSDCLBW-CQSZACIVSA-N 1 1 275.396 1.828 20 10 CDCDMO CN1CCOc2cc(CN3CCC[C@@H]([NH3+])CC3)ccc21 ZINC001205110730 913689729 /nfs/dbraw/zinc/68/97/29/913689729.db2.gz ZFDZWQUSSDCLBW-CQSZACIVSA-N 1 1 275.396 1.828 20 10 CDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC12CC2 ZINC001140056208 894772517 /nfs/dbraw/zinc/77/25/17/894772517.db2.gz MDKBWCHANDHBIC-LBPRGKRZSA-N 1 1 279.311 1.916 20 10 CDCDMO CCC(=O)N1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000092973284 904505474 /nfs/dbraw/zinc/50/54/74/904505474.db2.gz KTJSKBDATFACGZ-UHFFFAOYSA-N 1 1 278.352 1.455 20 10 CDCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172180001 911439572 /nfs/dbraw/zinc/43/95/72/911439572.db2.gz QGDCHIXZUNPASO-ZIAGYGMSSA-N 1 1 274.364 1.977 20 10 CDCDMO 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Cc1cc(O)c(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1C ZINC000841079073 735419615 /nfs/dbraw/zinc/41/96/15/735419615.db2.gz KGGRVOWZBABXKC-STQMWFEESA-N 1 1 252.333 1.799 20 10 CDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000858542757 735449893 /nfs/dbraw/zinc/44/98/93/735449893.db2.gz BHFJMYBTJMSHJD-FOGDFJRCSA-N 1 1 279.336 1.600 20 10 CDCDMO COC1(C)C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877531992 735476290 /nfs/dbraw/zinc/47/62/90/735476290.db2.gz ATTGFFLKCBZNIA-UHFFFAOYSA-N 1 1 290.407 1.868 20 10 CDCDMO CCOc1cccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC000211268053 735736512 /nfs/dbraw/zinc/73/65/12/735736512.db2.gz GGJRYKYPOAOKLN-CYBMUJFWSA-N 1 1 290.363 1.598 20 10 CDCDMO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1c(O)cccc1F ZINC000886553757 735767311 /nfs/dbraw/zinc/76/73/11/735767311.db2.gz VBEPPBFENXGWMP-LLVKDONJSA-N 1 1 283.343 1.971 20 10 CDCDMO CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)NC ZINC000825316830 735776330 /nfs/dbraw/zinc/77/63/30/735776330.db2.gz VMMCHYVZBVSUSL-SNVBAGLBSA-N 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/nfs/dbraw/zinc/85/26/26/733852626.db2.gz TWWRYDUSIIAJTN-QMMMGPOBSA-N 1 1 257.280 1.921 20 10 CDCDMO C[N@@H+](CCCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877499372 734059022 /nfs/dbraw/zinc/05/90/22/734059022.db2.gz OPFSPMBTIOGKLL-UHFFFAOYSA-N 1 1 278.396 1.462 20 10 CDCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1C ZINC000872714057 734080692 /nfs/dbraw/zinc/08/06/92/734080692.db2.gz HGICOMXSNLNVBZ-BETUJISGSA-N 1 1 288.347 1.056 20 10 CDCDMO COc1ccc(O)c(C[NH+]2CCN(C(C)(C)CO)CC2)c1 ZINC000775703783 734100477 /nfs/dbraw/zinc/10/04/77/734100477.db2.gz YFDRUIGNIQJHNF-UHFFFAOYSA-N 1 1 294.395 1.289 20 10 CDCDMO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1c(O)cccc1F ZINC000886550094 734107137 /nfs/dbraw/zinc/10/71/37/734107137.db2.gz SDYXORFMJUQFAA-QMTHXVAHSA-N 1 1 283.343 1.969 20 10 CDCDMO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1ccccc1O ZINC000817982446 734158575 /nfs/dbraw/zinc/15/85/75/734158575.db2.gz SMAITWXWVVGWCG-NEPJUHHUSA-N 1 1 250.342 1.421 20 10 CDCDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]21 ZINC000815120171 734215318 /nfs/dbraw/zinc/21/53/18/734215318.db2.gz DHHQUNOVXYEQLA-FOLVSLTJSA-N 1 1 288.391 1.912 20 10 CDCDMO CC(=O)NC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000135885188 734216348 /nfs/dbraw/zinc/21/63/48/734216348.db2.gz HWSKJACWDLAXGR-UHFFFAOYSA-N 1 1 266.316 1.632 20 10 CDCDMO C[N@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1CCCOC1 ZINC000107670229 734259862 /nfs/dbraw/zinc/25/98/62/734259862.db2.gz OMTSQWLGCPSPBU-LLVKDONJSA-N 1 1 279.336 1.979 20 10 CDCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(C)n2C)c1 ZINC000182367106 734259937 /nfs/dbraw/zinc/25/99/37/734259937.db2.gz VRTJKMXOMQZPTF-SECBINFHSA-N 1 1 276.340 1.689 20 10 CDCDMO CN(Cc1cc2c(cc1O)OCO2)C[C@H]1CCC[N@H+]1C ZINC000211556535 734347007 /nfs/dbraw/zinc/34/70/07/734347007.db2.gz NUWQGYRMCOXWBB-GFCCVEGCSA-N 1 1 278.352 1.647 20 10 CDCDMO CN1CCC[C@@H]1C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000211556535 734347010 /nfs/dbraw/zinc/34/70/10/734347010.db2.gz NUWQGYRMCOXWBB-GFCCVEGCSA-N 1 1 278.352 1.647 20 10 CDCDMO CN1CCC[C@@H]1C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000211556535 734347013 /nfs/dbraw/zinc/34/70/13/734347013.db2.gz NUWQGYRMCOXWBB-GFCCVEGCSA-N 1 1 278.352 1.647 20 10 CDCDMO Cc1cccc(C[NH+]2CCN(CC[S@@](C)=O)CC2)c1O ZINC000775716453 734385141 /nfs/dbraw/zinc/38/51/41/734385141.db2.gz AJWHXJDYKJGRBA-HXUWFJFHSA-N 1 1 296.436 1.197 20 10 CDCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@]1(C)CO ZINC000827700426 734387304 /nfs/dbraw/zinc/38/73/04/734387304.db2.gz SQDMLJFXLHUSQX-ZUZCIYMTSA-N 1 1 279.336 1.571 20 10 CDCDMO C[NH2+][C@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000843044820 734463430 /nfs/dbraw/zinc/46/34/30/734463430.db2.gz KFRIIOAUMKAZEZ-JTQLQIEISA-N 1 1 285.185 1.948 20 10 CDCDMO COc1cccc(O)c1C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000841080754 734548270 /nfs/dbraw/zinc/54/82/70/734548270.db2.gz YQIPOFRLBUEPCQ-UWVGGRQHSA-N 1 1 254.305 1.190 20 10 CDCDMO COCC[N@@H+](CCC(=O)OC)Cc1cc(C)ccc1O ZINC000093416042 734560851 /nfs/dbraw/zinc/56/08/51/734560851.db2.gz OFXXEQJUJRJADV-UHFFFAOYSA-N 1 1 281.352 1.712 20 10 CDCDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000384999775 734564146 /nfs/dbraw/zinc/56/41/46/734564146.db2.gz IXSMPHHVMVOUGD-QPUJVOFHSA-N 1 1 267.300 1.689 20 10 CDCDMO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1O ZINC000842908794 734604445 /nfs/dbraw/zinc/60/44/45/734604445.db2.gz DTFGUXGWQDZLED-XTWCZFFVSA-N 1 1 255.289 1.596 20 10 CDCDMO COc1cc(C)cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000122440463 734611980 /nfs/dbraw/zinc/61/19/80/734611980.db2.gz GLFHIBDNNUAJGX-GFCCVEGCSA-N 1 1 299.392 1.328 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000122440463 734611981 /nfs/dbraw/zinc/61/19/81/734611981.db2.gz GLFHIBDNNUAJGX-GFCCVEGCSA-N 1 1 299.392 1.328 20 10 CDCDMO COc1ccc(N2CCC[N@@H+](CC[S@@](C)=O)CC2)cc1 ZINC000827467968 734815346 /nfs/dbraw/zinc/81/53/46/734815346.db2.gz IIGYAOKGIRREJW-HXUWFJFHSA-N 1 1 296.436 1.586 20 10 CDCDMO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc3c(=O)[nH]ccn23)c1 ZINC000886704381 734843466 /nfs/dbraw/zinc/84/34/66/734843466.db2.gz DOJBMPBEMDDEHN-JTQLQIEISA-N 1 1 299.334 1.282 20 10 CDCDMO COCCNCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000228738297 734888283 /nfs/dbraw/zinc/88/82/83/734888283.db2.gz JLORKUCGDLUOFZ-UHFFFAOYSA-N 1 1 251.374 1.078 20 10 CDCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CNC(=O)C2)cc1 ZINC000852210827 734992799 /nfs/dbraw/zinc/99/27/99/734992799.db2.gz BEZMZYRNAGFFKG-CYBMUJFWSA-N 1 1 291.395 1.199 20 10 CDCDMO CN1CC[N@H+](Cc2c(O)ccc3ccccc32)CC1=O ZINC000127333945 735015602 /nfs/dbraw/zinc/01/56/02/735015602.db2.gz YNCQDXIKEFLYQI-UHFFFAOYSA-N 1 1 270.332 1.819 20 10 CDCDMO CN1CC[N@@H+](Cc2c(O)ccc3ccccc32)CC1=O ZINC000127333945 735015607 /nfs/dbraw/zinc/01/56/07/735015607.db2.gz YNCQDXIKEFLYQI-UHFFFAOYSA-N 1 1 270.332 1.819 20 10 CDCDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]2N1 ZINC000827141161 735061439 /nfs/dbraw/zinc/06/14/39/735061439.db2.gz PQNNGGNJTLSZJH-YPMHNXCESA-N 1 1 260.337 1.493 20 10 CDCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](C)O)cc1 ZINC000844401129 735079418 /nfs/dbraw/zinc/07/94/18/735079418.db2.gz HXAUYPBIFQIBSC-LBPRGKRZSA-N 1 1 252.358 1.444 20 10 CDCDMO COc1cccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1O ZINC000249966113 735121164 /nfs/dbraw/zinc/12/11/64/735121164.db2.gz KBDGFZSFEUCXGX-ZYHUDNBSSA-N 1 1 251.326 1.604 20 10 CDCDMO C[N@@H+](Cc1cc(Cl)ccc1O)[C@@]1(CO)CCOC1 ZINC000862426810 735175143 /nfs/dbraw/zinc/17/51/43/735175143.db2.gz PLLQWAIFJWXOFH-CYBMUJFWSA-N 1 1 271.744 1.629 20 10 CDCDMO CCOc1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(O)c1 ZINC000814172529 735245439 /nfs/dbraw/zinc/24/54/39/735245439.db2.gz QLWHFCTYYFAHLA-WDNDVIMCSA-N 1 1 263.337 1.461 20 10 CDCDMO Cc1cc(O)c(C[N@H+](C)CCS(N)(=O)=O)cc1Cl ZINC000877825991 735261925 /nfs/dbraw/zinc/26/19/25/735261925.db2.gz LOJQQZMWFIRFGE-UHFFFAOYSA-N 1 1 292.788 1.074 20 10 CDCDMO Cc1cc(O)c(C[N@@H+](C)CCS(N)(=O)=O)cc1Cl ZINC000877825991 735261928 /nfs/dbraw/zinc/26/19/28/735261928.db2.gz LOJQQZMWFIRFGE-UHFFFAOYSA-N 1 1 292.788 1.074 20 10 CDCDMO [NH3+]C[C@H]([NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000841028210 735577997 /nfs/dbraw/zinc/57/79/97/735577997.db2.gz LXKGEZMNTZTGRI-NSHDSACASA-N 1 1 285.185 1.982 20 10 CDCDMO CCOc1ccc(C[NH2+]Cc2nnc(CC)[nH]2)c(O)c1 ZINC000824445488 735621764 /nfs/dbraw/zinc/62/17/64/735621764.db2.gz BCRARBPDIAQAEP-UHFFFAOYSA-N 1 1 276.340 1.761 20 10 CDCDMO O=C1CCCN1CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000846076328 735685518 /nfs/dbraw/zinc/68/55/18/735685518.db2.gz LOGBOTNAIKVWTN-UHFFFAOYSA-N 1 1 286.734 1.897 20 10 CDCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1COCCO1 ZINC000708440658 736232975 /nfs/dbraw/zinc/23/29/75/736232975.db2.gz DITYNSORUDBKDP-SNVBAGLBSA-N 1 1 259.252 1.175 20 10 CDCDMO Oc1cccc2c1C[N@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173764625 912817773 /nfs/dbraw/zinc/81/77/73/912817773.db2.gz BHICFLCJIAJQNR-ZIAGYGMSSA-N 1 1 299.378 1.921 20 10 CDCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)c1O ZINC001140742789 898164261 /nfs/dbraw/zinc/16/42/61/898164261.db2.gz ZAMQPUVICUSRDK-MFKMUULPSA-N 1 1 265.353 1.999 20 10 CDCDMO CN1CCOc2cc(C[N@H+]3CC[C@H](F)[C@@H](O)C3)ccc21 ZINC001141141178 899783651 /nfs/dbraw/zinc/78/36/51/899783651.db2.gz VXQOTAJXWQVYJZ-JSGCOSHPSA-N 1 1 280.343 1.420 20 10 CDCDMO COc1cc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)cc(O)c1O ZINC001204341844 917877687 /nfs/dbraw/zinc/87/76/87/917877687.db2.gz HCHRJGNWIIKMMP-PWSUYJOCSA-N 1 1 281.352 1.699 20 10 CDCDMO C[NH+]1CCN(c2ccc(CN3CC4(COC4)C3)cc2)CC1 ZINC001139404659 936618181 /nfs/dbraw/zinc/61/81/81/936618181.db2.gz UHRXPQRJXPDQJS-UHFFFAOYSA-N 1 1 287.407 1.271 20 10 CDCDMO C[C@]1(O)COCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140058065 936675090 /nfs/dbraw/zinc/67/50/90/936675090.db2.gz RPWLOBLAXMPUFO-CYBMUJFWSA-N 1 1 255.289 1.115 20 10 CDCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCCO1 ZINC001140060145 936675800 /nfs/dbraw/zinc/67/58/00/936675800.db2.gz MROZWFMPGKWPNP-CYBMUJFWSA-N 1 1 283.299 1.295 20 10 CDCDMO Cc1c(O)ccc(CN2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC001140745898 936749092 /nfs/dbraw/zinc/74/90/92/936749092.db2.gz PHRFHPZRCZFACI-CYBMUJFWSA-N 1 1 262.353 1.686 20 10 CDCDMO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)CO)c(Cl)c1 ZINC001140922583 936776423 /nfs/dbraw/zinc/77/64/23/936776423.db2.gz VJUILIWROXNGAX-GFCCVEGCSA-N 1 1 272.776 1.191 20 10 CDCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H](O)CO)c(Cl)c1 ZINC001140922583 936776425 /nfs/dbraw/zinc/77/64/25/936776425.db2.gz VJUILIWROXNGAX-GFCCVEGCSA-N 1 1 272.776 1.191 20 10 CDCDMO Cc1ccc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)c(O)c1 ZINC001140947679 936782148 /nfs/dbraw/zinc/78/21/48/936782148.db2.gz AGIHOIGTDBPZOZ-WCQYABFASA-N 1 1 253.317 1.853 20 10 CDCDMO Cc1ccc(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001140951077 936783433 /nfs/dbraw/zinc/78/34/33/936783433.db2.gz XTWXJGHOFZRVGE-CQSZACIVSA-N 1 1 276.380 1.606 20 10 CDCDMO Cc1ccc(C[NH+]2CC(N(C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001140951077 936783435 /nfs/dbraw/zinc/78/34/35/936783435.db2.gz XTWXJGHOFZRVGE-CQSZACIVSA-N 1 1 276.380 1.606 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CCCC[C@H](O)C2)c(OC)c1 ZINC001141031251 936794784 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C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C[C@H]1O ZINC001141141115 936818553 /nfs/dbraw/zinc/81/85/53/936818553.db2.gz UEGDMPGCJLUVCL-IUODEOHRSA-N 1 1 276.380 1.718 20 10 CDCDMO CC[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(F)cc1O ZINC000840803725 936961799 /nfs/dbraw/zinc/96/17/99/936961799.db2.gz UTGVYRHMAKXBGV-YPMHNXCESA-N 1 1 294.330 1.225 20 10 CDCDMO CN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)ccc2O)C1=O ZINC001273284138 925745422 /nfs/dbraw/zinc/74/54/22/925745422.db2.gz FVFKEJKRPOEKND-HNNXBMFYSA-N 1 1 278.327 1.728 20 10 CDCDMO C[C@@]1(CO)CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508746 937025165 /nfs/dbraw/zinc/02/51/65/937025165.db2.gz KDEPRJRIOPUGAP-CYBMUJFWSA-N 1 1 257.280 1.875 20 10 CDCDMO C[C@@]1(CO)CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508746 937025168 /nfs/dbraw/zinc/02/51/68/937025168.db2.gz KDEPRJRIOPUGAP-CYBMUJFWSA-N 1 1 257.280 1.875 20 10 CDCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCNC2)c1 ZINC000817941777 930638629 /nfs/dbraw/zinc/63/86/29/930638629.db2.gz RMXOIAOOZCIGCP-GHMZBOCLSA-N 1 1 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/nfs/dbraw/zinc/69/79/84/939697984.db2.gz JSRSSGFSUBTLME-ZDUSSCGKSA-N 1 1 292.379 1.306 20 10 CDCDMO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204276558 939751376 /nfs/dbraw/zinc/75/13/76/939751376.db2.gz NBZFGYWRVIISSZ-LBPRGKRZSA-N 1 1 291.269 1.845 20 10 CDCDMO O=C1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)CCN1 ZINC001204320185 939755444 /nfs/dbraw/zinc/75/54/44/939755444.db2.gz NWVZBXVIMUAQMQ-UHFFFAOYSA-N 1 1 273.380 1.609 20 10 CDCDMO OC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001204326380 939756135 /nfs/dbraw/zinc/75/61/35/939756135.db2.gz XQHCLLDHIAEJFK-RDJZCZTQSA-N 1 1 290.407 1.462 20 10 CDCDMO C[C@H]1C[N@@H+](Cc2c([O-])ccc(F)c2F)C[C@H]1C[NH3+] ZINC001205150641 939829259 /nfs/dbraw/zinc/82/92/59/939829259.db2.gz GNGKOZARMYQKMI-DTWKUNHWSA-N 1 1 256.296 1.697 20 10 CDCDMO [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC001205240682 939841508 /nfs/dbraw/zinc/84/15/08/939841508.db2.gz MTZGQBHVJIMWQF-CQSZACIVSA-N 1 1 284.787 1.721 20 10 CDCDMO C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001205280862 939876958 /nfs/dbraw/zinc/87/69/58/939876958.db2.gz KNWHSHGXWAYTIN-OAHLLOKOSA-N 1 1 278.352 1.794 20 10 CDCDMO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)c1O ZINC001206175675 939992421 /nfs/dbraw/zinc/99/24/21/939992421.db2.gz XCIGIWRGPYLPCJ-NWDGAFQWSA-N 1 1 268.332 1.667 20 10 CDCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c1O ZINC001206175675 939992428 /nfs/dbraw/zinc/99/24/28/939992428.db2.gz XCIGIWRGPYLPCJ-NWDGAFQWSA-N 1 1 268.332 1.667 20 10 CDCDMO [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001206633369 940074971 /nfs/dbraw/zinc/07/49/71/940074971.db2.gz WVVLXDGOXJEPDN-LLVKDONJSA-N 1 1 278.352 1.651 20 10 CDCDMO COc1ccc(C[N@H+]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000091896207 940758460 /nfs/dbraw/zinc/75/84/60/940758460.db2.gz MQXORIJBAIDHCK-UHFFFAOYSA-N 1 1 293.363 1.782 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](CO)CC[C@H]2C)c1 ZINC000305767802 940896292 /nfs/dbraw/zinc/89/62/92/940896292.db2.gz 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CCCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c(O)c1 ZINC000187669688 357793111 /nfs/dbraw/zinc/79/31/11/357793111.db2.gz QZXVYEMVEGGIMH-STQMWFEESA-N 1 1 281.352 1.109 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H]2CO)cc1OC ZINC000191178594 358118093 /nfs/dbraw/zinc/11/80/93/358118093.db2.gz KLYNGLIYOHDSOK-ZYHUDNBSSA-N 1 1 281.352 1.612 20 10 CDCDMO Cc1cc(O)c(C[N@H+](CC(N)=O)CC(C)C)cc1C ZINC000092011389 358535240 /nfs/dbraw/zinc/53/52/40/358535240.db2.gz YSWMYHKZZFFDNP-UHFFFAOYSA-N 1 1 264.369 1.952 20 10 CDCDMO Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2O)n(C)n1 ZINC000111236462 359197125 /nfs/dbraw/zinc/19/71/25/359197125.db2.gz KPULINWWGMSFRO-UHFFFAOYSA-N 1 1 288.351 1.505 20 10 CDCDMO CCOc1cccc(CN2CC[NH+](CCOC)CC2)c1O ZINC000122997432 360250060 /nfs/dbraw/zinc/25/00/60/360250060.db2.gz DLFMJGAYRSEMPA-UHFFFAOYSA-N 1 1 294.395 1.555 20 10 CDCDMO CC[N@@H+](CCO)Cc1cc(Br)ccc1O ZINC000267393480 363812906 /nfs/dbraw/zinc/81/29/06/363812906.db2.gz XJDMUQMEGMWNOC-UHFFFAOYSA-N 1 1 274.158 1.969 20 10 CDCDMO 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COc1c(O)c(C[NH+]2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000278181265 521868844 /nfs/dbraw/zinc/86/88/44/521868844.db2.gz GZGLLFZHQIMQAT-UHFFFAOYSA-N 1 1 296.323 1.920 20 10 CDCDMO COc1c(O)c(C[NH2+]C[C@@H]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000278126462 521878850 /nfs/dbraw/zinc/87/88/50/521878850.db2.gz BPAOHCPWFLGTKT-KOLCDFICSA-N 1 1 296.323 1.560 20 10 CDCDMO CN(C)c1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1F ZINC000278553327 522185105 /nfs/dbraw/zinc/18/51/05/522185105.db2.gz DSJATVCYUXVRPW-OKILXGFUSA-N 1 1 277.387 1.885 20 10 CDCDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000131016217 524876352 /nfs/dbraw/zinc/87/63/52/524876352.db2.gz TVAOGNJOCVOOGP-ZRNGKTOUSA-N 1 1 285.365 1.320 20 10 CDCDMO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC[N@@H+]1C ZINC000742375088 574420630 /nfs/dbraw/zinc/42/06/30/574420630.db2.gz NFILPNGATHTHCY-JQWIXIFHSA-N 1 1 279.340 1.873 20 10 CDCDMO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1C ZINC000742375088 574420631 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Cc1[nH+]ccn1CCOC(=O)c1cccc(O)c1O ZINC000758558035 577117439 /nfs/dbraw/zinc/11/74/39/577117439.db2.gz MXVOLENKIYAVFR-UHFFFAOYSA-N 1 1 262.265 1.460 20 10 CDCDMO COc1ccc(C[N@@H+](CCO)C2CCC2)c(O)c1OC ZINC000893902283 618154294 /nfs/dbraw/zinc/15/42/94/618154294.db2.gz XMFQJQUXCPBFPN-UHFFFAOYSA-N 1 1 281.352 1.756 20 10 CDCDMO COc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)c(O)c1OC ZINC000894282263 618461715 /nfs/dbraw/zinc/46/17/15/618461715.db2.gz ZLTLGQHBVBKQSR-CQSZACIVSA-N 1 1 285.315 1.316 20 10 CDCDMO COc1ccc(C[N@H+]2CC[C@](F)(CO)C2)c(O)c1OC ZINC000894282263 618461718 /nfs/dbraw/zinc/46/17/18/618461718.db2.gz ZLTLGQHBVBKQSR-CQSZACIVSA-N 1 1 285.315 1.316 20 10 CDCDMO C[C@@H]([NH3+])[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000843058303 618691683 /nfs/dbraw/zinc/69/16/83/618691683.db2.gz RGCFOIRCBQDPAT-SKDRFNHKSA-N 1 1 270.760 1.594 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](O)C2)c1O ZINC000895149641 619359257 /nfs/dbraw/zinc/35/92/57/619359257.db2.gz NTQITVIFXMQCDL-GFCCVEGCSA-N 1 1 251.326 1.666 20 10 CDCDMO Cc1cc(O)c(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)cc1C ZINC000895327876 619565698 /nfs/dbraw/zinc/56/56/98/619565698.db2.gz DZTUFHNHOVGCQR-HIFRSBDPSA-N 1 1 265.353 1.327 20 10 CDCDMO CCOc1ccc(C[N@@H+](CC)CCC(=O)NC)c(O)c1 ZINC000897709602 621083196 /nfs/dbraw/zinc/08/31/96/621083196.db2.gz GKCSGMIVXZTTMA-UHFFFAOYSA-N 1 1 280.368 1.749 20 10 CDCDMO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000898548702 621789546 /nfs/dbraw/zinc/78/95/46/621789546.db2.gz ZYAWKQIXCJKJGM-CYBMUJFWSA-N 1 1 292.379 1.810 20 10 CDCDMO COc1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c(O)c1 ZINC000134143147 1175812849 /nfs/dbraw/zinc/81/28/49/1175812849.db2.gz PFPAZQWDXLORMQ-AWEZNQCLSA-N 1 1 292.379 1.307 20 10 CDCDMO COc1ccc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)c(O)c1 ZINC000153939682 1178138167 /nfs/dbraw/zinc/13/81/67/1178138167.db2.gz PTDJPJVHHLCQNK-CYBMUJFWSA-N 1 1 278.352 1.501 20 10 CDCDMO CC1(C)CN(C(=O)Nc2ccc(N)cc2)CC[N@H+]1CCO ZINC000841296845 742853338 /nfs/dbraw/zinc/85/33/38/742853338.db2.gz 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ZINC001236837599 944588063 /nfs/dbraw/zinc/58/80/63/944588063.db2.gz QLKXSPNKNKDUBG-NSHDSACASA-N 1 1 270.332 1.866 20 10 CDCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001237484314 944810770 /nfs/dbraw/zinc/81/07/70/944810770.db2.gz BHPBCZDJYOLVBQ-DUVNUKRYSA-N 1 1 277.364 1.672 20 10 CDCDMO COc1cc(C[N@@H+]2CCN3CCC2CC3)c(O)c(OC)c1 ZINC001237672734 944918850 /nfs/dbraw/zinc/91/88/50/944918850.db2.gz AEDDUFJIOWAEHP-UHFFFAOYSA-N 1 1 292.379 1.689 20 10 CDCDMO COc1cc(C[N@H+]2CCN3CCC2CC3)c(O)c(OC)c1 ZINC001237672734 944918854 /nfs/dbraw/zinc/91/88/54/944918854.db2.gz AEDDUFJIOWAEHP-UHFFFAOYSA-N 1 1 292.379 1.689 20 10 CDCDMO COc1cc(C[N@H+]2CCC[C@@H](CO)C2)c(O)c(OC)c1 ZINC001237675100 944920945 /nfs/dbraw/zinc/92/09/45/944920945.db2.gz TXZUADAPPFLOBM-LLVKDONJSA-N 1 1 281.352 1.614 20 10 CDCDMO COc1cc(C[N@@H+]2CCC[C@H]2C(C)=O)c(O)c(OC)c1 ZINC001237683739 944922573 /nfs/dbraw/zinc/92/25/73/944922573.db2.gz KDJHUDCDZKEYHH-ZDUSSCGKSA-N 1 1 279.336 1.963 20 10 CDCDMO COc1cc(C[N@H+]2CCC[C@H]2C(C)=O)c(O)c(OC)c1 ZINC001237683739 944922577 /nfs/dbraw/zinc/92/25/77/944922577.db2.gz KDJHUDCDZKEYHH-ZDUSSCGKSA-N 1 1 279.336 1.963 20 10 CDCDMO CN1CCC[C@@H]([NH2+]Cc2cccc(O)c2O)CC1 ZINC001254509267 947467941 /nfs/dbraw/zinc/46/79/41/947467941.db2.gz XSKHTXRINXGMRE-GFCCVEGCSA-N 1 1 250.342 1.672 20 10 CDCDMO C[N@H+]1CCC[C@@H](NCC(=O)c2ccc(O)c(O)c2)CC1 ZINC001254507548 947468714 /nfs/dbraw/zinc/46/87/14/947468714.db2.gz MMLOTZSJCPMZLG-GFCCVEGCSA-N 1 1 278.352 1.354 20 10 CDCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c(O)c1 ZINC001249173704 949444106 /nfs/dbraw/zinc/44/41/06/949444106.db2.gz VKFQXBGHWXNKKK-BXUZGUMPSA-N 1 1 293.363 1.310 20 10 CDCDMO CCOCCOCC[N@@H+](C)Cc1ccc(N)cc1 ZINC001335289994 959685619 /nfs/dbraw/zinc/68/56/19/959685619.db2.gz QWJFMDIZEXGUHM-UHFFFAOYSA-N 1 1 252.358 1.754 20 10 CDCDMO CN(C)c1ccc2c(c1)OCCN2C[C@H]1CC(F)(F)C[NH2+]1 ZINC001578427679 1171907255 /nfs/dbraw/zinc/90/72/55/1171907255.db2.gz ZKTUAJARWGHQDT-LLVKDONJSA-N 1 1 297.349 1.949 20 10 CDCDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179937747 357231962 /nfs/dbraw/zinc/23/19/62/357231962.db2.gz FLSYOMYGVWVCDY-CYBMUJFWSA-N 1 1 278.327 1.774 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CCC[C@@](C)(O)C2)cc1OC ZINC000180377337 357265729 /nfs/dbraw/zinc/26/57/29/357265729.db2.gz SGTAFGLHBGYORT-OAHLLOKOSA-N 1 1 281.352 1.756 20 10 CDCDMO Cc1cccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c1O ZINC000180528572 357274710 /nfs/dbraw/zinc/27/47/10/357274710.db2.gz VOCDGVMXOJOAHO-UHFFFAOYSA-N 1 1 285.347 1.353 20 10 CDCDMO COc1cccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000274089322 360362936 /nfs/dbraw/zinc/36/29/36/360362936.db2.gz IKOCWLGVDQQXTN-GFCCVEGCSA-N 1 1 299.392 1.410 20 10 CDCDMO COc1cccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000274089322 360362943 /nfs/dbraw/zinc/36/29/43/360362943.db2.gz IKOCWLGVDQQXTN-GFCCVEGCSA-N 1 1 299.392 1.410 20 10 CDCDMO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272247677 365150784 /nfs/dbraw/zinc/15/07/84/365150784.db2.gz HRUIFLZJBPWCQP-JTQLQIEISA-N 1 1 252.289 1.229 20 10 CDCDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272247677 365150789 /nfs/dbraw/zinc/15/07/89/365150789.db2.gz HRUIFLZJBPWCQP-JTQLQIEISA-N 1 1 252.289 1.229 20 10 CDCDMO Cc1cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)ccc1N(C)C ZINC000294502490 371066864 /nfs/dbraw/zinc/06/68/64/371066864.db2.gz IHOCTSUZNDHIGA-UHFFFAOYSA-N 1 1 298.390 1.703 20 10 CDCDMO C[N@@H+](CC(=O)N1CCCCC1)Cc1ccccc1O ZINC000109769838 390648431 /nfs/dbraw/zinc/64/84/31/390648431.db2.gz STCCBSUCQNRNOE-UHFFFAOYSA-N 1 1 262.353 1.837 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CCNC(=O)[C@H]2C(C)C)c1 ZINC000093055374 390899333 /nfs/dbraw/zinc/89/93/33/390899333.db2.gz BNKFULWIPAEFBK-CQSZACIVSA-N 1 1 262.353 1.657 20 10 CDCDMO Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c(O)c1O ZINC000177672348 391173848 /nfs/dbraw/zinc/17/38/48/391173848.db2.gz FUPZCZHSXWDPJF-NSHDSACASA-N 1 1 292.379 1.868 20 10 CDCDMO COc1cc(O)c(C[N@@H+](C)C[C@H]2CCOC2)cc1OC ZINC000160362965 261212084 /nfs/dbraw/zinc/21/20/84/261212084.db2.gz YCMDDCPVMURFIC-LLVKDONJSA-N 1 1 281.352 1.878 20 10 CDCDMO CCOc1cccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000271164456 262994223 /nfs/dbraw/zinc/99/42/23/262994223.db2.gz BRSZIMIYZXACOG-LBPRGKRZSA-N 1 1 278.352 1.453 20 10 CDCDMO COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000368971715 267215450 /nfs/dbraw/zinc/21/54/50/267215450.db2.gz CUWPPFYGUKTQIS-ZKYQVNSYSA-N 1 1 290.363 1.487 20 10 CDCDMO CC[N@@H+](Cc1cccc(OC)c1O)[C@H]1CCNC1=O ZINC000281833646 276354215 /nfs/dbraw/zinc/35/42/15/276354215.db2.gz SHASPZRFYNNITD-NSHDSACASA-N 1 1 264.325 1.111 20 10 CDCDMO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278950230 522395460 /nfs/dbraw/zinc/39/54/60/522395460.db2.gz ZHCWEXNNVXJRIS-BXKDBHETSA-N 1 1 298.339 1.806 20 10 CDCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1O ZINC000234915183 522537046 /nfs/dbraw/zinc/53/70/46/522537046.db2.gz IYPWABMOQZDZKB-CQSZACIVSA-N 1 1 298.770 1.752 20 10 CDCDMO COCCO[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000275627310 524032983 /nfs/dbraw/zinc/03/29/83/524032983.db2.gz SSRUISICRREGPW-GFCCVEGCSA-N 1 1 295.335 1.358 20 10 CDCDMO CNC(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299218819 524066803 /nfs/dbraw/zinc/06/68/03/524066803.db2.gz YLBRIGJPIAOBMW-UHFFFAOYSA-N 1 1 275.396 1.853 20 10 CDCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000276525549 524766967 /nfs/dbraw/zinc/76/69/67/524766967.db2.gz CEDRWAYUWNGIRO-ZJUUUORDSA-N 1 1 276.340 1.941 20 10 CDCDMO C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(F)cc1O ZINC000062747687 525427999 /nfs/dbraw/zinc/42/79/99/525427999.db2.gz LQMZUWGENIVYOT-SECBINFHSA-N 1 1 254.305 1.660 20 10 CDCDMO COc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1O ZINC000364839496 525958738 /nfs/dbraw/zinc/95/87/38/525958738.db2.gz BUYOEKVPWOMZPZ-QWRGUYRKSA-N 1 1 255.289 1.306 20 10 CDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H]3CCC[C@@H]31)OCO2 ZINC000057100385 526336790 /nfs/dbraw/zinc/33/67/90/526336790.db2.gz GAVQQFZQLGRGJB-AAEUAGOBSA-N 1 1 277.320 1.874 20 10 CDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H]3CCC[C@@H]31)OCO2 ZINC000057100385 526336795 /nfs/dbraw/zinc/33/67/95/526336795.db2.gz GAVQQFZQLGRGJB-AAEUAGOBSA-N 1 1 277.320 1.874 20 10 CDCDMO CC(C)(CO)[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000770511079 575458409 /nfs/dbraw/zinc/45/84/09/575458409.db2.gz YXTDHVSIHMTQAW-UHFFFAOYSA-N 1 1 264.369 1.281 20 10 CDCDMO CCN(C)c1ccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)cc1 ZINC000773766354 575838377 /nfs/dbraw/zinc/83/83/77/575838377.db2.gz SQVDGCSKMSBPCW-XJKSGUPXSA-N 1 1 278.396 1.724 20 10 CDCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)cc1 ZINC000773766354 575838378 /nfs/dbraw/zinc/83/83/78/575838378.db2.gz SQVDGCSKMSBPCW-XJKSGUPXSA-N 1 1 278.396 1.724 20 10 CDCDMO CC[N@H+](CC(=O)N(C)C)Cc1c(O)cccc1OC ZINC000768306255 576269319 /nfs/dbraw/zinc/26/93/19/576269319.db2.gz BARKTCDOFOQCLK-UHFFFAOYSA-N 1 1 266.341 1.311 20 10 CDCDMO CC[N@@H+](CC(=O)N(C)C)Cc1c(O)cccc1OC ZINC000768306255 576269321 /nfs/dbraw/zinc/26/93/21/576269321.db2.gz BARKTCDOFOQCLK-UHFFFAOYSA-N 1 1 266.341 1.311 20 10 CDCDMO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1CCOCC1 ZINC000768464957 576287331 /nfs/dbraw/zinc/28/73/31/576287331.db2.gz GPRINGYOHKNNOG-HNNXBMFYSA-N 1 1 293.363 1.676 20 10 CDCDMO CCOc1cccc(C[N@@H+]2CCCNC(=O)C2)c1O ZINC000769115053 576331556 /nfs/dbraw/zinc/33/15/56/576331556.db2.gz MVJXLHDAQJCOJB-UHFFFAOYSA-N 1 1 264.325 1.113 20 10 CDCDMO CCOc1cccc(C[N@H+]2CCCNC(=O)C2)c1O ZINC000769115053 576331557 /nfs/dbraw/zinc/33/15/57/576331557.db2.gz MVJXLHDAQJCOJB-UHFFFAOYSA-N 1 1 264.325 1.113 20 10 CDCDMO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000769302234 576343855 /nfs/dbraw/zinc/34/38/55/576343855.db2.gz QDPLQVOKRYXPLR-GFCCVEGCSA-N 1 1 264.369 1.927 20 10 CDCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000769302234 576343856 /nfs/dbraw/zinc/34/38/56/576343856.db2.gz QDPLQVOKRYXPLR-GFCCVEGCSA-N 1 1 264.369 1.927 20 10 CDCDMO COc1cccc(O)c1C[N@H+](CCO)Cc1cccnc1 ZINC000769332239 576346732 /nfs/dbraw/zinc/34/67/32/576346732.db2.gz ZJNCXUPJQFRHOT-UHFFFAOYSA-N 1 1 288.347 1.790 20 10 CDCDMO COc1cccc(O)c1C[N@@H+](CCO)Cc1cccnc1 ZINC000769332239 576346734 /nfs/dbraw/zinc/34/67/34/576346734.db2.gz ZJNCXUPJQFRHOT-UHFFFAOYSA-N 1 1 288.347 1.790 20 10 CDCDMO OCCC[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000769404780 576352154 /nfs/dbraw/zinc/35/21/54/576352154.db2.gz PQDJHSIEVKRJSV-UHFFFAOYSA-N 1 1 265.309 1.468 20 10 CDCDMO CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCC[N@@H+](C)C1 ZINC000748334728 576905824 /nfs/dbraw/zinc/90/58/24/576905824.db2.gz KSJBGOCUEYHYRV-SECBINFHSA-N 1 1 254.355 1.620 20 10 CDCDMO CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCC[N@H+](C)C1 ZINC000748334728 576905822 /nfs/dbraw/zinc/90/58/22/576905822.db2.gz KSJBGOCUEYHYRV-SECBINFHSA-N 1 1 254.355 1.620 20 10 CDCDMO CN(C)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000756327977 576986143 /nfs/dbraw/zinc/98/61/43/576986143.db2.gz XXXUMGOJQOGWGK-HNNXBMFYSA-N 1 1 278.396 1.935 20 10 CDCDMO CN(C)CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000756327977 576986145 /nfs/dbraw/zinc/98/61/45/576986145.db2.gz XXXUMGOJQOGWGK-HNNXBMFYSA-N 1 1 278.396 1.935 20 10 CDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)C2CC2)c1 ZINC000756739424 577002563 /nfs/dbraw/zinc/00/25/63/577002563.db2.gz NIQHRUWJZGHJDX-YGRLFVJLSA-N 1 1 293.363 1.990 20 10 CDCDMO C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccccc1O ZINC000892527862 617478151 /nfs/dbraw/zinc/47/81/51/617478151.db2.gz ZIRKBKGKKXBIHC-LBPRGKRZSA-N 1 1 277.368 1.676 20 10 CDCDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(N)cc2)C1 ZINC000044539897 617582777 /nfs/dbraw/zinc/58/27/77/617582777.db2.gz NRTQLYOCEHVZRV-NSHDSACASA-N 1 1 262.357 1.732 20 10 CDCDMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c(O)c1OC ZINC000893712257 617929432 /nfs/dbraw/zinc/92/94/32/617929432.db2.gz QOSRSVFXYZHLQX-ZYHUDNBSSA-N 1 1 281.352 1.612 20 10 CDCDMO COc1cc(C)cc(C[NH2+]Cc2nnc3n2CCC3)c1O ZINC000894167848 618647512 /nfs/dbraw/zinc/64/75/12/618647512.db2.gz UCPZOEXYZHFGOM-UHFFFAOYSA-N 1 1 288.351 1.537 20 10 CDCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccccn2)cc1 ZINC000841042327 618677640 /nfs/dbraw/zinc/67/76/40/618677640.db2.gz IEEQIPCDDVWDAF-INIZCTEOSA-N 1 1 270.380 1.937 20 10 CDCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCCC[C@H]1O ZINC000895436306 619665035 /nfs/dbraw/zinc/66/50/35/619665035.db2.gz BHVQRXCZBQFQSS-VXGBXAGGSA-N 1 1 279.336 1.856 20 10 CDCDMO COc1cc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc1OC ZINC000897679583 621066455 /nfs/dbraw/zinc/06/64/55/621066455.db2.gz BGXMECJXTJOHHW-CABZTGNLSA-N 1 1 267.325 1.222 20 10 CDCDMO Cc1nn(C)cc1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046284 621589826 /nfs/dbraw/zinc/58/98/26/621589826.db2.gz ZBUBQYOKDZFULP-INIZCTEOSA-N 1 1 287.411 1.584 20 10 CDCDMO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1c(O)cccc1F ZINC000903296276 625953831 /nfs/dbraw/zinc/95/38/31/625953831.db2.gz DHIWHGMAHMMGDL-UFGOTCBOSA-N 1 1 269.316 1.986 20 10 CDCDMO CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2C)cc1F ZINC000915365475 631708193 /nfs/dbraw/zinc/70/81/93/631708193.db2.gz GDLZMTLITMDHFX-LBPRGKRZSA-N 1 1 294.374 1.395 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CCN(C)[C@H](C)C2)c1 ZINC000133893616 1175809030 /nfs/dbraw/zinc/80/90/30/1175809030.db2.gz GZIUNBGEWFJWDM-LLVKDONJSA-N 1 1 250.342 1.537 20 10 CDCDMO COc1ccc(O)c(CN2CC[N@H+](C)[C@H](C)C2)c1 ZINC000133893616 1175809033 /nfs/dbraw/zinc/80/90/33/1175809033.db2.gz GZIUNBGEWFJWDM-LLVKDONJSA-N 1 1 250.342 1.537 20 10 CDCDMO COc1ccc(O)c(CN2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000133893616 1175809038 /nfs/dbraw/zinc/80/90/38/1175809038.db2.gz GZIUNBGEWFJWDM-LLVKDONJSA-N 1 1 250.342 1.537 20 10 CDCDMO CCc1cccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1O ZINC000848903517 782498630 /nfs/dbraw/zinc/49/86/30/782498630.db2.gz VDADJXZTWUVVJZ-ZDUSSCGKSA-N 1 1 298.408 1.208 20 10 CDCDMO CC(=O)NCC[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000843427444 782689165 /nfs/dbraw/zinc/68/91/65/782689165.db2.gz AZVHUMNIWKABJJ-UHFFFAOYSA-N 1 1 263.385 1.629 20 10 CDCDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877573347 782774329 /nfs/dbraw/zinc/77/43/29/782774329.db2.gz ORCAEBRRTKFQLH-OAHLLOKOSA-N 1 1 265.353 1.531 20 10 CDCDMO CCOc1cccc(C[N@H+]2C[C@H](O)C(C)(C)C2)c1O ZINC000790937166 782881352 /nfs/dbraw/zinc/88/13/52/782881352.db2.gz GVRUNDLQTSSGNT-ZDUSSCGKSA-N 1 1 265.353 1.994 20 10 CDCDMO C[N@H+](CCO)Cc1cccc(Br)c1O ZINC000127921503 783115112 /nfs/dbraw/zinc/11/51/12/783115112.db2.gz KSYWDPDXHMHXFU-UHFFFAOYSA-N 1 1 260.131 1.579 20 10 CDCDMO C[N@@H+](CCO)Cc1cccc(Br)c1O ZINC000127921503 783115117 /nfs/dbraw/zinc/11/51/17/783115117.db2.gz KSYWDPDXHMHXFU-UHFFFAOYSA-N 1 1 260.131 1.579 20 10 CDCDMO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877530122 780490839 /nfs/dbraw/zinc/49/08/39/780490839.db2.gz QXQICMIWMGBKJN-CYBMUJFWSA-N 1 1 279.336 1.465 20 10 CDCDMO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(C)cc1O ZINC000877530122 780490866 /nfs/dbraw/zinc/49/08/66/780490866.db2.gz QXQICMIWMGBKJN-CYBMUJFWSA-N 1 1 279.336 1.465 20 10 CDCDMO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883034094 780803513 /nfs/dbraw/zinc/80/35/13/780803513.db2.gz LOFPEUANLLTQHA-SKDRFNHKSA-N 1 1 287.306 1.954 20 10 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/nfs/dbraw/zinc/23/97/95/819239795.db2.gz GYOYJBXGXBEPLI-LBPRGKRZSA-N 1 1 251.326 1.548 20 10 CDCDMO Cc1cccc(C[N@H+]2CCN(CCO)C(C)(C)C2)c1O ZINC000783715775 819302977 /nfs/dbraw/zinc/30/29/77/819302977.db2.gz WBTRFYRIUVVFND-UHFFFAOYSA-N 1 1 278.396 1.589 20 10 CDCDMO Oc1c(F)cc(F)cc1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000883037771 819417034 /nfs/dbraw/zinc/41/70/34/819417034.db2.gz LGDFVYOSTPCELM-GFCCVEGCSA-N 1 1 287.306 1.956 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000814173036 819816311 /nfs/dbraw/zinc/81/63/11/819816311.db2.gz FJMAUDZMVAINPO-SMDDNHRTSA-N 1 1 262.353 1.537 20 10 CDCDMO COc1ccc(O)c(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000814173036 819816312 /nfs/dbraw/zinc/81/63/12/819816312.db2.gz FJMAUDZMVAINPO-SMDDNHRTSA-N 1 1 262.353 1.537 20 10 CDCDMO COc1ccc(O)c(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000814173036 819816313 /nfs/dbraw/zinc/81/63/13/819816313.db2.gz FJMAUDZMVAINPO-SMDDNHRTSA-N 1 1 262.353 1.537 20 10 CDCDMO OCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876579834 819834618 /nfs/dbraw/zinc/83/46/18/819834618.db2.gz MVAHVKUNRVPGTA-UHFFFAOYSA-N 1 1 290.407 1.604 20 10 CDCDMO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000724888655 819839473 /nfs/dbraw/zinc/83/94/73/819839473.db2.gz CIOQFOOYFLBVFP-MRCXROJRSA-N 1 1 269.316 1.986 20 10 CDCDMO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858159752 819874598 /nfs/dbraw/zinc/87/45/98/819874598.db2.gz FAWABAVYYXVZGK-JTQLQIEISA-N 1 1 299.365 1.987 20 10 CDCDMO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cc1C ZINC000093384546 820031281 /nfs/dbraw/zinc/03/12/81/820031281.db2.gz VDNSOZMYQBAFRI-LBPRGKRZSA-N 1 1 285.409 1.874 20 10 CDCDMO Cc1cc(O)c(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)cc1C ZINC000093384546 820031291 /nfs/dbraw/zinc/03/12/91/820031291.db2.gz VDNSOZMYQBAFRI-LBPRGKRZSA-N 1 1 285.409 1.874 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C2CCC2)c1 ZINC000834905081 820038091 /nfs/dbraw/zinc/03/80/91/820038091.db2.gz FHAPRVBMONIRJP-BONVTDFDSA-N 1 1 293.363 1.990 20 10 CDCDMO COc1cc(O)c(CNCC2([NH3+])CCCC2)cc1OC ZINC000849350130 820111754 /nfs/dbraw/zinc/11/17/54/820111754.db2.gz RGGMPBDGFBNFDA-UHFFFAOYSA-N 1 1 280.368 1.771 20 10 CDCDMO CCc1cccc(C[N@@H+]2CCOC[C@@]23CCOC3)c1O ZINC000848908818 820287292 /nfs/dbraw/zinc/28/72/92/820287292.db2.gz FAYVPEJXBWPJQW-INIZCTEOSA-N 1 1 277.364 1.946 20 10 CDCDMO CCc1cccc(C[N@H+]2CCOC[C@@]23CCOC3)c1O ZINC000848908818 820287353 /nfs/dbraw/zinc/28/73/53/820287353.db2.gz FAYVPEJXBWPJQW-INIZCTEOSA-N 1 1 277.364 1.946 20 10 CDCDMO Cc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)c(O)c1 ZINC000877499714 820358550 /nfs/dbraw/zinc/35/85/50/820358550.db2.gz UMMXSAFVWIGPQI-HNNXBMFYSA-N 1 1 263.337 1.692 20 10 CDCDMO Cc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)c(O)c1 ZINC000877499714 820358568 /nfs/dbraw/zinc/35/85/68/820358568.db2.gz UMMXSAFVWIGPQI-HNNXBMFYSA-N 1 1 263.337 1.692 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000840945724 820526880 /nfs/dbraw/zinc/52/68/80/820526880.db2.gz WHAGWCFYXZXTSE-ZDUSSCGKSA-N 1 1 275.396 1.771 20 10 CDCDMO Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(O)c1O ZINC000781009199 820805341 /nfs/dbraw/zinc/80/53/41/820805341.db2.gz VCCGWCUCPNKUOP-QWRGUYRKSA-N 1 1 278.352 1.571 20 10 CDCDMO Cc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(O)c1O ZINC000781009199 820805343 /nfs/dbraw/zinc/80/53/43/820805343.db2.gz VCCGWCUCPNKUOP-QWRGUYRKSA-N 1 1 278.352 1.571 20 10 CDCDMO OC[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1CCOC1 ZINC000883109328 820812136 /nfs/dbraw/zinc/81/21/36/820812136.db2.gz MYZBMATZSPLRJO-MWLCHTKSSA-N 1 1 287.306 1.405 20 10 CDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@H]2C)c1 ZINC000825103983 820812899 /nfs/dbraw/zinc/81/28/99/820812899.db2.gz JQXOPAUMBLVKIX-ZWNOBZJWSA-N 1 1 251.326 1.746 20 10 CDCDMO Oc1c(F)cc(F)cc1C[NH2+]CCn1cccn1 ZINC000708534896 820817331 /nfs/dbraw/zinc/81/73/31/820817331.db2.gz GFVMRXSIIWGHOJ-UHFFFAOYSA-N 1 1 253.252 1.657 20 10 CDCDMO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(F)cc1O ZINC000848564196 820849222 /nfs/dbraw/zinc/84/92/22/820849222.db2.gz JGMYUOXRQRPGTF-MWLCHTKSSA-N 1 1 290.342 1.868 20 10 CDCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1C ZINC000824926870 821804019 /nfs/dbraw/zinc/80/40/19/821804019.db2.gz WGRLIXFUASIZJQ-GASCZTMLSA-N 1 1 292.423 1.896 20 10 CDCDMO OC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1O ZINC000840974508 821865715 /nfs/dbraw/zinc/86/57/15/821865715.db2.gz BYTGVPJXMZYSPO-HOCLYGCPSA-N 1 1 287.359 1.721 20 10 CDCDMO C[N@@H+](CCCO)Cc1ccc(Br)cc1O ZINC000825773515 821882370 /nfs/dbraw/zinc/88/23/70/821882370.db2.gz IWBABTNTOBAKKQ-UHFFFAOYSA-N 1 1 274.158 1.969 20 10 CDCDMO CN(C)c1ccc(C[N@@H+]2CCC(=O)N(C)CC2)cc1 ZINC000852578181 821888089 /nfs/dbraw/zinc/88/80/89/821888089.db2.gz VOAWIUDDBSUZII-UHFFFAOYSA-N 1 1 261.369 1.417 20 10 CDCDMO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3c(=O)[nH]ccn23)c1 ZINC000886704382 821890339 /nfs/dbraw/zinc/89/03/39/821890339.db2.gz DOJBMPBEMDDEHN-SNVBAGLBSA-N 1 1 299.334 1.282 20 10 CDCDMO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1c(O)cccc1F ZINC000886496866 822332459 /nfs/dbraw/zinc/33/24/59/822332459.db2.gz KCIXCXYQHBYXNL-NXEZZACHSA-N 1 1 287.356 1.617 20 10 CDCDMO CCc1cccc(C[N@H+](CC)[C@H]2CCNC2=O)c1O ZINC000848909691 822446211 /nfs/dbraw/zinc/44/62/11/822446211.db2.gz ZQTAWPJAJAPNSH-ZDUSSCGKSA-N 1 1 262.353 1.665 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](OCCO)C2)c1 ZINC000180175425 822541271 /nfs/dbraw/zinc/54/12/71/822541271.db2.gz JBMABYLLMNHQKF-AWEZNQCLSA-N 1 1 281.352 1.374 20 10 CDCDMO CC[S@@](=O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708495371 899030676 /nfs/dbraw/zinc/03/06/76/899030676.db2.gz WKKATXYQRKTLKI-QGZVFWFLSA-N 1 1 263.309 1.529 20 10 CDCDMO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cc(O)ccc1O ZINC001141155922 899821510 /nfs/dbraw/zinc/82/15/10/899821510.db2.gz AUVNKNSPZKWZBP-QWRGUYRKSA-N 1 1 251.326 1.691 20 10 CDCDMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1cccc(O)c1O ZINC000710414295 903242622 /nfs/dbraw/zinc/24/26/22/903242622.db2.gz PVOFQRVMUBXWKG-SNVBAGLBSA-N 1 1 264.325 1.312 20 10 CDCDMO COc1cc(C)c(CN2CC[NH+](CCCO)CC2)c(O)c1 ZINC001236808677 916529901 /nfs/dbraw/zinc/52/99/01/916529901.db2.gz QXRBYPJVTNGNIB-UHFFFAOYSA-N 1 1 294.395 1.209 20 10 CDCDMO O=C1NCC[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]12 ZINC001204322068 917679622 /nfs/dbraw/zinc/67/96/22/917679622.db2.gz NIAINFFLIIFMJD-DOTOQJQBSA-N 1 1 299.418 1.855 20 10 CDCDMO Cc1cccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827133321 936493575 /nfs/dbraw/zinc/49/35/75/936493575.db2.gz SPZCJGXMEFIKOK-TZMCWYRMSA-N 1 1 274.364 1.801 20 10 CDCDMO C[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1COC1 ZINC001138337477 936522312 /nfs/dbraw/zinc/52/23/12/936522312.db2.gz QWQZQBCPLWNLSF-UHFFFAOYSA-N 1 1 288.391 1.922 20 10 CDCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC1=O ZINC001138495031 936542090 /nfs/dbraw/zinc/54/20/90/936542090.db2.gz CUIITKDWOJNCBB-AWEZNQCLSA-N 1 1 288.391 1.934 20 10 CDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCC1=O ZINC001138495031 936542092 /nfs/dbraw/zinc/54/20/92/936542092.db2.gz CUIITKDWOJNCBB-AWEZNQCLSA-N 1 1 288.391 1.934 20 10 CDCDMO CC[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775051857 920167318 /nfs/dbraw/zinc/16/73/18/920167318.db2.gz QFMKOFZWQZKGMX-ZDUSSCGKSA-N 1 1 284.312 1.560 20 10 CDCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001140057148 936674915 /nfs/dbraw/zinc/67/49/15/936674915.db2.gz CSOTYFHRXMIVBH-YPMHNXCESA-N 1 1 257.280 1.826 20 10 CDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCCO1 ZINC001140060146 936675428 /nfs/dbraw/zinc/67/54/28/936675428.db2.gz MROZWFMPGKWPNP-ZDUSSCGKSA-N 1 1 283.299 1.295 20 10 CDCDMO Fc1cc(N2CCOCC2)ccc1C[NH+]1CC2(COC2)C1 ZINC001140662231 936736568 /nfs/dbraw/zinc/73/65/68/936736568.db2.gz KFBGTALECAAEIW-UHFFFAOYSA-N 1 1 292.354 1.495 20 10 CDCDMO Cc1c(O)ccc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1O ZINC001140748485 936749779 /nfs/dbraw/zinc/74/97/79/936749779.db2.gz HMYWIHSGVVVKNM-GXTWGEPZSA-N 1 1 276.380 1.932 20 10 CDCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H]3CN(C)C[C@H]32)c1O ZINC001140748485 936749781 /nfs/dbraw/zinc/74/97/81/936749781.db2.gz HMYWIHSGVVVKNM-GXTWGEPZSA-N 1 1 276.380 1.932 20 10 CDCDMO Cc1c(O)ccc(C[N@@H+]2CCC[C@H]3CN(C)C[C@H]32)c1O ZINC001140748485 936749783 /nfs/dbraw/zinc/74/97/83/936749783.db2.gz HMYWIHSGVVVKNM-GXTWGEPZSA-N 1 1 276.380 1.932 20 10 CDCDMO COC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000702873878 922617526 /nfs/dbraw/zinc/61/75/26/922617526.db2.gz BCDUKYLJJFAEIL-NSHDSACASA-N 1 1 265.309 1.732 20 10 CDCDMO CN(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(Cl)c1 ZINC001140921377 936776280 /nfs/dbraw/zinc/77/62/80/936776280.db2.gz BHKPCHCGFODISI-BXUZGUMPSA-N 1 1 284.787 1.191 20 10 CDCDMO Cc1ccc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)c(O)c1 ZINC001140947678 936782361 /nfs/dbraw/zinc/78/23/61/936782361.db2.gz AGIHOIGTDBPZOZ-DGCLKSJQSA-N 1 1 253.317 1.853 20 10 CDCDMO COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(C)cc1O)C2 ZINC001140947846 936782380 /nfs/dbraw/zinc/78/23/80/936782380.db2.gz IDAJUTZMWGBUJU-BBRMVZONSA-N 1 1 291.347 1.322 20 10 CDCDMO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC001140950902 936783304 /nfs/dbraw/zinc/78/33/04/936783304.db2.gz OKVDLTZLWZBKPC-ZDUSSCGKSA-N 1 1 262.353 1.753 20 10 CDCDMO COc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC001141029588 936794886 /nfs/dbraw/zinc/79/48/86/936794886.db2.gz WVDKKBGQKZDCPL-TXEJJXNPSA-N 1 1 292.379 1.688 20 10 CDCDMO CN1CCOc2cc(C[N@H+]3CCCC[C@@H](O)C3)ccc21 ZINC001141140236 936819054 /nfs/dbraw/zinc/81/90/54/936819054.db2.gz JRHSNERHFFOGOV-CQSZACIVSA-N 1 1 276.380 1.862 20 10 CDCDMO CC(C)[C@H]1COCC[N@H+]1Cc1cc(O)ccc1O ZINC001141160936 936822788 /nfs/dbraw/zinc/82/27/88/936822788.db2.gz JZITUNOHNDQRHD-CYBMUJFWSA-N 1 1 251.326 1.955 20 10 CDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC000775681668 924786304 /nfs/dbraw/zinc/78/63/04/924786304.db2.gz QLDISUGDMRUPRI-LBPRGKRZSA-N 1 1 265.353 1.995 20 10 CDCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2CN)c1 ZINC001205806931 925169320 /nfs/dbraw/zinc/16/93/20/925169320.db2.gz WPFBDICLZQNVPQ-WCQYABFASA-N 1 1 264.369 1.960 20 10 CDCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843120698 937114218 /nfs/dbraw/zinc/11/42/18/937114218.db2.gz BQBOFKOTQNYLKM-CYBMUJFWSA-N 1 1 295.814 1.525 20 10 CDCDMO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CSC[NH2+]1 ZINC000843489577 937155931 /nfs/dbraw/zinc/15/59/31/937155931.db2.gz HVABKECEPRPDLJ-CYBMUJFWSA-N 1 1 292.404 1.550 20 10 CDCDMO Cc1c(CN2CC[C@@H]([NH3+])[C@H](O)C2)c2ccccc2n1C ZINC001205952784 928679778 /nfs/dbraw/zinc/67/97/78/928679778.db2.gz AHRZGNSHGORHJK-GDBMZVCRSA-N 1 1 273.380 1.381 20 10 CDCDMO C[C@@H]1CC(=O)CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500414 931859860 /nfs/dbraw/zinc/85/98/60/931859860.db2.gz TXCAEWHXNYDGGP-MRVPVSSYSA-N 1 1 251.282 1.357 20 10 CDCDMO C[C@@H]1CC(=O)CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144500414 931859863 /nfs/dbraw/zinc/85/98/63/931859863.db2.gz TXCAEWHXNYDGGP-MRVPVSSYSA-N 1 1 251.282 1.357 20 10 CDCDMO CC1(C)C[N@@H+](Cc2c(O)cc(O)cc2O)CCCO1 ZINC001144509167 931874986 /nfs/dbraw/zinc/87/49/86/931874986.db2.gz NIULFFUSJHHFLW-UHFFFAOYSA-N 1 1 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JFZQALTUGITDAR-LBPRGKRZSA-N 1 1 280.368 1.545 20 10 CDCDMO CC[N@H+]1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC001261256412 946020780 /nfs/dbraw/zinc/02/07/80/946020780.db2.gz GGGHLRXNGNMQTJ-SNVBAGLBSA-N 1 1 296.342 1.699 20 10 CDCDMO C/C=C(\NC=[NH2+])c1ccc(N2CCN(C)CC2)cc1 ZINC001240849608 946061206 /nfs/dbraw/zinc/06/12/06/946061206.db2.gz RKOQDRNRBZMXPN-CQPUUCJISA-N 1 1 258.369 1.996 20 10 CDCDMO COC(=O)Cc1ccc(C[N@H+]2CCC[C@@](C)(O)C2)c(O)c1 ZINC001249201148 949452850 /nfs/dbraw/zinc/45/28/50/949452850.db2.gz HMWJDCLRBSUFRJ-MRXNPFEDSA-N 1 1 293.363 1.455 20 10 CDCDMO C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)C[C@H](O)CO ZINC001249230304 949475080 /nfs/dbraw/zinc/47/50/80/949475080.db2.gz BQSTYAQCEDQVFW-LBPRGKRZSA-N 1 1 293.363 1.361 20 10 CDCDMO CCOC(=O)C[C@H](O)C[N@@H+](CC)Cc1ccccc1O ZINC001253799013 952124046 /nfs/dbraw/zinc/12/40/46/952124046.db2.gz LVAGFALVTDDRLN-ZDUSSCGKSA-N 1 1 281.352 1.528 20 10 CDCDMO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCNC1=O ZINC001327031280 954667349 /nfs/dbraw/zinc/66/73/49/954667349.db2.gz KLWCCPMADGKWPV-INIZCTEOSA-N 1 1 287.407 1.997 20 10 CDCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1 ZINC001308822609 956586317 /nfs/dbraw/zinc/58/63/17/956586317.db2.gz HGRWULKFMUQSSN-HOCLYGCPSA-N 1 1 279.380 1.691 20 10 CDCDMO COC[C@@H]1C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC001319711296 958696332 /nfs/dbraw/zinc/69/63/32/958696332.db2.gz HXYTXLRDONKIDI-NSHDSACASA-N 1 1 267.325 1.248 20 10 CDCDMO COC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC001319711296 958696335 /nfs/dbraw/zinc/69/63/35/958696335.db2.gz HXYTXLRDONKIDI-NSHDSACASA-N 1 1 267.325 1.248 20 10 CDCDMO Nc1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC001352789377 967482552 /nfs/dbraw/zinc/48/25/52/967482552.db2.gz JYDHWMMFIIVKKF-AWEZNQCLSA-N 1 1 257.341 1.697 20 10 CDCDMO Nc1ccc(CC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000037812595 356539701 /nfs/dbraw/zinc/53/97/01/356539701.db2.gz JAPKNDBCHQIDJZ-CQSZACIVSA-N 1 1 259.353 1.118 20 10 CDCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180229708 357253860 /nfs/dbraw/zinc/25/38/60/357253860.db2.gz QNLRJNMZPVQJSP-CQSZACIVSA-N 1 1 267.300 1.916 20 10 CDCDMO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000365277257 359238915 /nfs/dbraw/zinc/23/89/15/359238915.db2.gz INIBYCNEEZERTL-KBPBESRZSA-N 1 1 275.348 1.962 20 10 CDCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000269359684 364184180 /nfs/dbraw/zinc/18/41/80/364184180.db2.gz JBBDTMCNNITMDX-NSHDSACASA-N 1 1 293.319 1.648 20 10 CDCDMO C[N@@H+]1CC=C(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000271776839 364997818 /nfs/dbraw/zinc/99/78/18/364997818.db2.gz COYCZKWGAOWTNO-UHFFFAOYSA-N 1 1 277.324 1.652 20 10 CDCDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C(=O)NCCF ZINC000282654682 367976452 /nfs/dbraw/zinc/97/64/52/367976452.db2.gz IFXDALHFIBMKPR-IUCAKERBSA-N 1 1 272.295 1.656 20 10 CDCDMO CC[C@@H]([NH2+][C@H](CCO)COC)c1ccc(F)cc1O ZINC000286089459 368693451 /nfs/dbraw/zinc/69/34/51/368693451.db2.gz MQKZYRUPTPFZMC-DGCLKSJQSA-N 1 1 271.332 1.969 20 10 CDCDMO CCOc1ccc(O)c(C[NH2+]Cc2nnc(CC)[nH]2)c1 ZINC000296052261 371580251 /nfs/dbraw/zinc/58/02/51/371580251.db2.gz OTDNQDOMRZZJQK-UHFFFAOYSA-N 1 1 276.340 1.761 20 10 CDCDMO Cc1cccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292811570 377553175 /nfs/dbraw/zinc/55/31/75/377553175.db2.gz OWHAJQTVSLSWGT-ZDUSSCGKSA-N 1 1 298.408 1.166 20 10 CDCDMO COCCC[N@@H+](CCO)Cc1cc(C)c(C)cc1O ZINC000188928212 262164722 /nfs/dbraw/zinc/16/47/22/262164722.db2.gz MISAPCKOGFBWPC-UHFFFAOYSA-N 1 1 267.369 1.840 20 10 CDCDMO CCC[N@@H+](CC(=O)NC)Cc1cccc(OCC)c1O ZINC000133298171 390903142 /nfs/dbraw/zinc/90/31/42/390903142.db2.gz HZDGGMDYLIIJTO-UHFFFAOYSA-N 1 1 280.368 1.749 20 10 CDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000093665158 390903755 /nfs/dbraw/zinc/90/37/55/390903755.db2.gz RZJKNIKDUWMASC-HNNXBMFYSA-N 1 1 290.407 1.855 20 10 CDCDMO CCNC(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179554333 391210529 /nfs/dbraw/zinc/21/05/29/391210529.db2.gz ZBQPYXGQYCEWET-UHFFFAOYSA-N 1 1 263.341 1.239 20 10 CDCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](O)C2)cc1OC ZINC000183469421 391265528 /nfs/dbraw/zinc/26/55/28/391265528.db2.gz PTGGTPSRYRHFEK-LLVKDONJSA-N 1 1 267.325 1.366 20 10 CDCDMO COCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H](C)C(N)=O ZINC000293137504 391653808 /nfs/dbraw/zinc/65/38/08/391653808.db2.gz QDXCDZQQCGMPIO-ZDUSSCGKSA-N 1 1 293.411 1.383 20 10 CDCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCCCNC2=O)cc1 ZINC000360306287 391654546 /nfs/dbraw/zinc/65/45/46/391654546.db2.gz WBLHYDRINGPOBO-HNNXBMFYSA-N 1 1 275.396 1.853 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)C(C)C)c1 ZINC000273586793 292014397 /nfs/dbraw/zinc/01/43/97/292014397.db2.gz NYOSCDJQBUQFFV-GXFFZTMASA-N 1 1 281.352 1.846 20 10 CDCDMO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(F)cc1O ZINC000186511021 262096536 /nfs/dbraw/zinc/09/65/36/262096536.db2.gz AUSSMUQVGKFYFQ-VIFPVBQESA-N 1 1 292.314 1.335 20 10 CDCDMO CN(CC[N@@H+](C)C1CC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000186802589 262110365 /nfs/dbraw/zinc/11/03/65/262110365.db2.gz DTWVBUCMDQWLFF-XBXARRHUSA-N 1 1 290.363 1.664 20 10 CDCDMO C[C@@H](CNC(=O)c1cccc(O)c1O)[N@H+]1CCC[C@@H](C)C1 ZINC000186935607 262117522 /nfs/dbraw/zinc/11/75/22/262117522.db2.gz QWSHYBSFYSWEML-NEPJUHHUSA-N 1 1 292.379 1.948 20 10 CDCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1 ZINC000187825129 263269808 /nfs/dbraw/zinc/26/98/08/263269808.db2.gz ITYJSZBQVGCJNQ-GTNSWQLSSA-N 1 1 255.383 1.899 20 10 CDCDMO COc1c(O)c(C[NH2+][C@H](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000278497161 277790927 /nfs/dbraw/zinc/79/09/27/277790927.db2.gz MTQGJRQLRUTQGV-LLVKDONJSA-N 1 1 298.339 1.806 20 10 CDCDMO CCC[C@H](O)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273557795 521191403 /nfs/dbraw/zinc/19/14/03/521191403.db2.gz HHRUNZQETUINHH-PWSUYJOCSA-N 1 1 281.352 1.990 20 10 CDCDMO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2nncn2C)c1O ZINC000275255723 518287500 /nfs/dbraw/zinc/28/75/00/518287500.db2.gz ZDTCFJGOTRBLRK-QMMMGPOBSA-N 1 1 292.314 1.713 20 10 CDCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1O ZINC000280619618 520476977 /nfs/dbraw/zinc/47/69/77/520476977.db2.gz ZRWILVBBGULNIN-CYBMUJFWSA-N 1 1 265.309 1.324 20 10 CDCDMO CC[N@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000289938927 521687530 /nfs/dbraw/zinc/68/75/30/521687530.db2.gz YELJUWFWGKFCFN-NSHDSACASA-N 1 1 278.352 1.647 20 10 CDCDMO CC[N@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000289938923 521687905 /nfs/dbraw/zinc/68/79/05/521687905.db2.gz YELJUWFWGKFCFN-LLVKDONJSA-N 1 1 278.352 1.647 20 10 CDCDMO COc1c(O)c(C[N@H+](C)C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000278197609 521869088 /nfs/dbraw/zinc/86/90/88/521869088.db2.gz IQTFIQGNEQHZHM-SNVBAGLBSA-N 1 1 296.323 1.777 20 10 CDCDMO COc1c(O)c(C[N@@H+](C)C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000278197609 521869096 /nfs/dbraw/zinc/86/90/96/521869096.db2.gz IQTFIQGNEQHZHM-SNVBAGLBSA-N 1 1 296.323 1.777 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)c1 ZINC000276618433 522135168 /nfs/dbraw/zinc/13/51/68/522135168.db2.gz MEAHIUMBQLTZJY-GMXVVIOVSA-N 1 1 293.363 1.990 20 10 CDCDMO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC[N@@H+]1C ZINC000742375087 574420641 /nfs/dbraw/zinc/42/06/41/574420641.db2.gz NFILPNGATHTHCY-CMPLNLGQSA-N 1 1 279.340 1.873 20 10 CDCDMO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1C ZINC000742375087 574420642 /nfs/dbraw/zinc/42/06/42/574420642.db2.gz NFILPNGATHTHCY-CMPLNLGQSA-N 1 1 279.340 1.873 20 10 CDCDMO COc1ccc(O)c(CNC(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000734070459 575155657 /nfs/dbraw/zinc/15/56/57/575155657.db2.gz WDYQORBAWXYPOR-UHFFFAOYSA-N 1 1 293.367 1.294 20 10 CDCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000773800316 575839270 /nfs/dbraw/zinc/83/92/70/575839270.db2.gz LKLWDCMRUNEUKW-CQSZACIVSA-N 1 1 297.424 1.006 20 10 CDCDMO CN1CC[C@H]([N@@H+](C)Cc2cc3c(cc2O)CCCC3)C1=O ZINC000768445747 576283823 /nfs/dbraw/zinc/28/38/23/576283823.db2.gz IWAAARIILVKRDM-HNNXBMFYSA-N 1 1 288.391 1.934 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCS1 ZINC000768453428 576285789 /nfs/dbraw/zinc/28/57/89/576285789.db2.gz WXIROHUHWVHMKC-RNCFNFMXSA-N 1 1 281.377 1.755 20 10 CDCDMO COc1coc(C[N@H+](C)Cc2ccccc2O)cc1=O ZINC000760840811 576514822 /nfs/dbraw/zinc/51/48/22/576514822.db2.gz NKFFBYWBCNYOAK-UHFFFAOYSA-N 1 1 275.304 1.986 20 10 CDCDMO COc1coc(C[N@@H+](C)Cc2ccccc2O)cc1=O ZINC000760840811 576514825 /nfs/dbraw/zinc/51/48/25/576514825.db2.gz NKFFBYWBCNYOAK-UHFFFAOYSA-N 1 1 275.304 1.986 20 10 CDCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)C(N)=O)cc1 ZINC000741677891 576567186 /nfs/dbraw/zinc/56/71/86/576567186.db2.gz DWVFFKOQIBWIEY-GFCCVEGCSA-N 1 1 263.385 1.838 20 10 CDCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000754741605 576913369 /nfs/dbraw/zinc/91/33/69/576913369.db2.gz LWHPVWQQELOXNQ-GFCCVEGCSA-N 1 1 278.352 1.372 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N(C)C)c1 ZINC000756536417 576994343 /nfs/dbraw/zinc/99/43/43/576994343.db2.gz VNIUEQFCGVZLLV-MNOVXSKESA-N 1 1 280.368 1.780 20 10 CDCDMO NC(=O)c1cc(C[NH2+]Cc2cc(Cl)ccc2O)on1 ZINC000757906131 577060185 /nfs/dbraw/zinc/06/01/85/577060185.db2.gz KRBRVZRNAISVRC-UHFFFAOYSA-N 1 1 281.699 1.422 20 10 CDCDMO COc1ccc(C[N@@H+](C)[C@H]2CCOC2)c(O)c1OC ZINC000891935901 617799318 /nfs/dbraw/zinc/79/93/18/617799318.db2.gz SDVLSGMUXUBJAI-NSHDSACASA-N 1 1 267.325 1.630 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1O ZINC000893945541 618211973 /nfs/dbraw/zinc/21/19/73/618211973.db2.gz DWSFVESXHQXEEU-VXGBXAGGSA-N 1 1 292.379 1.795 20 10 CDCDMO COc1ccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c(O)c1OC ZINC000894519518 618937447 /nfs/dbraw/zinc/93/74/47/618937447.db2.gz LIDAHXXDLRPLIB-JTQLQIEISA-N 1 1 294.351 1.107 20 10 CDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O ZINC000897683566 621071051 /nfs/dbraw/zinc/07/10/51/621071051.db2.gz DVPJXNFIGTUVAH-BLLLJJGKSA-N 1 1 294.370 1.475 20 10 CDCDMO Cc1ccc(C[NH+]2CC(N3CCCC3=O)C2)c(O)c1 ZINC000897785093 621121298 /nfs/dbraw/zinc/12/12/98/621121298.db2.gz UKLPTILWLFAIDF-UHFFFAOYSA-N 1 1 260.337 1.507 20 10 CDCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](O)[C@@H](C)O)cc1 ZINC000929185738 621563998 /nfs/dbraw/zinc/56/39/98/621563998.db2.gz YEOXZYPRYBLPHX-CZUORRHYSA-N 1 1 280.412 1.706 20 10 CDCDMO CCC[N@H+]1CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000907059065 627513769 /nfs/dbraw/zinc/51/37/69/627513769.db2.gz FLMJYCUAURHPCC-CYBMUJFWSA-N 1 1 292.379 1.836 20 10 CDCDMO CN1CCN(C2CC[NH+](Cc3ccc(N)cc3)CC2)CC1 ZINC000224504841 1159123785 /nfs/dbraw/zinc/12/37/85/1159123785.db2.gz KWJPWMXEIAHNRA-UHFFFAOYSA-N 1 1 288.439 1.481 20 10 CDCDMO CC[N@@H+](C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001752138823 1159443563 /nfs/dbraw/zinc/44/35/63/1159443563.db2.gz YNYFMXKUSMRGCU-UHFFFAOYSA-N 1 1 291.355 1.921 20 10 CDCDMO C[C@]1(O)CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000794672467 1164533618 /nfs/dbraw/zinc/53/36/18/1164533618.db2.gz LAHJRNSLYOHTBY-HOCLYGCPSA-N 1 1 293.363 1.555 20 10 CDCDMO CCOc1ccc(C[N@@H+](CC)[C@H](C)CO)c(O)c1 ZINC000814169921 828346451 /nfs/dbraw/zinc/34/64/51/828346451.db2.gz OLJHUFRFLYSNSR-LLVKDONJSA-N 1 1 253.342 1.994 20 10 CDCDMO Cc1ccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000877545823 828355042 /nfs/dbraw/zinc/35/50/42/828355042.db2.gz MIIDUZUBTMPEIK-ZDUSSCGKSA-N 1 1 298.408 1.166 20 10 CDCDMO COC(=O)N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000387354819 822673094 /nfs/dbraw/zinc/67/30/94/822673094.db2.gz SVFYJKWYBWJBLS-UHFFFAOYSA-N 1 1 264.325 1.585 20 10 CDCDMO C[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000091814839 823806542 /nfs/dbraw/zinc/80/65/42/823806542.db2.gz SAFTVPAJBKMTIM-CQSZACIVSA-N 1 1 276.380 1.744 20 10 CDCDMO C[C@@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000091814839 823806543 /nfs/dbraw/zinc/80/65/43/823806543.db2.gz SAFTVPAJBKMTIM-CQSZACIVSA-N 1 1 276.380 1.744 20 10 CDCDMO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(C)cc1O ZINC000877165847 823880066 /nfs/dbraw/zinc/88/00/66/823880066.db2.gz ROWLXCLNPJEOMP-ZIAGYGMSSA-N 1 1 293.363 1.853 20 10 CDCDMO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(C)cc1O ZINC000877165847 823880070 /nfs/dbraw/zinc/88/00/70/823880070.db2.gz ROWLXCLNPJEOMP-ZIAGYGMSSA-N 1 1 293.363 1.853 20 10 CDCDMO COc1c([O-])c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052048 823891618 /nfs/dbraw/zinc/89/16/18/823891618.db2.gz PAGJPOKFCZGIDL-ONGXEEELSA-N 1 1 295.339 1.478 20 10 CDCDMO COc1c([O-])c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052048 823891621 /nfs/dbraw/zinc/89/16/21/823891621.db2.gz PAGJPOKFCZGIDL-ONGXEEELSA-N 1 1 295.339 1.478 20 10 CDCDMO C[NH+]1CC2(C1)CCN(C(=O)C1=CC(=O)CS1)C2 ZINC000834522696 823900003 /nfs/dbraw/zinc/90/00/03/823900003.db2.gz SORCZGRZGPGNIO-UHFFFAOYSA-N 1 1 252.339 1.231 20 10 CDCDMO C[C@H](O)CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775701019 823984548 /nfs/dbraw/zinc/98/45/48/823984548.db2.gz ALVMDNBQMWRJBN-HNNXBMFYSA-N 1 1 291.439 1.641 20 10 CDCDMO C[C@H](O)CC[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775701019 823984555 /nfs/dbraw/zinc/98/45/55/823984555.db2.gz ALVMDNBQMWRJBN-HNNXBMFYSA-N 1 1 291.439 1.641 20 10 CDCDMO C[C@H](O)CC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775701019 823984563 /nfs/dbraw/zinc/98/45/63/823984563.db2.gz ALVMDNBQMWRJBN-HNNXBMFYSA-N 1 1 291.439 1.641 20 10 CDCDMO COCCN1CC[C@H]([NH2+][C@H](C)c2c(O)cccc2F)C1 ZINC000886524788 824042614 /nfs/dbraw/zinc/04/26/14/824042614.db2.gz QYCUUGKTOQVXLH-NEPJUHHUSA-N 1 1 282.359 1.903 20 10 CDCDMO COc1c(O)c(C[NH2+]CCC2(CO)CC2)ccc1[N+](=O)[O-] ZINC000825039922 824068262 /nfs/dbraw/zinc/06/82/62/824068262.db2.gz BONKKGOLRZRHQO-UHFFFAOYSA-N 1 1 296.323 1.561 20 10 CDCDMO CCN1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)CC1=O ZINC000883158972 824118732 /nfs/dbraw/zinc/11/87/32/824118732.db2.gz WVTRMLCYPOZXQH-VIFPVBQESA-N 1 1 284.306 1.628 20 10 CDCDMO C[C@@H]1C[C@H](NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)[C@@H](C)O1 ZINC000817943296 824148606 /nfs/dbraw/zinc/14/86/06/824148606.db2.gz UCWRQSWAMTWZDC-BHTHQVBYSA-N 1 1 277.412 1.908 20 10 CDCDMO Cc1ccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)c(O)c1 ZINC000877477682 824253930 /nfs/dbraw/zinc/25/39/30/824253930.db2.gz 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264.369 1.928 20 10 CDCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000134137202 842802882 /nfs/dbraw/zinc/80/28/82/842802882.db2.gz IEOXVMKZNNPSNI-GFCCVEGCSA-N 1 1 296.798 1.952 20 10 CDCDMO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1c(O)cccc1F ZINC000886588435 842838479 /nfs/dbraw/zinc/83/84/79/842838479.db2.gz RGVIDFMYDKJHEQ-GXFFZTMASA-N 1 1 283.343 1.969 20 10 CDCDMO C[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001140463093 896173886 /nfs/dbraw/zinc/17/38/86/896173886.db2.gz SDMRBPHCFNJUAN-ZIAGYGMSSA-N 1 1 285.771 1.611 20 10 CDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c1 ZINC001272622334 914196278 /nfs/dbraw/zinc/19/62/78/914196278.db2.gz DXYCBJWQISQOMJ-MRXNPFEDSA-N 1 1 290.363 1.134 20 10 CDCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@](O)(CF)CC2)c1 ZINC001141156088 899822285 /nfs/dbraw/zinc/82/22/85/899822285.db2.gz DUSMNAUERRGAJF-CQSZACIVSA-N 1 1 269.316 1.784 20 10 CDCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(OC)cc2O)C1 ZINC000093814055 909358330 /nfs/dbraw/zinc/35/83/30/909358330.db2.gz 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CC[N@H+]1CCN(Cc2c(O)cc(O)cc2O)C[C@H]1C ZINC001144520390 931871376 /nfs/dbraw/zinc/87/13/76/931871376.db2.gz OOQWBZDVDMYBPB-SNVBAGLBSA-N 1 1 266.341 1.329 20 10 CDCDMO Oc1cc(O)c(C[N@H+]2CCN3CCCC[C@@H]3C2)c(O)c1 ZINC001144508926 931874688 /nfs/dbraw/zinc/87/46/88/931874688.db2.gz DNQQYBCTEBOWOK-LLVKDONJSA-N 1 1 278.352 1.474 20 10 CDCDMO Oc1cc(O)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(O)c1 ZINC001144508926 931874691 /nfs/dbraw/zinc/87/46/91/931874691.db2.gz DNQQYBCTEBOWOK-LLVKDONJSA-N 1 1 278.352 1.474 20 10 CDCDMO Oc1cc(O)c(CN2CC[N@H+]3CCCC[C@@H]3C2)c(O)c1 ZINC001144508926 931874696 /nfs/dbraw/zinc/87/46/96/931874696.db2.gz DNQQYBCTEBOWOK-LLVKDONJSA-N 1 1 278.352 1.474 20 10 CDCDMO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514587 931877824 /nfs/dbraw/zinc/87/78/24/931877824.db2.gz LIOWPNWOJWCWJB-NXEZZACHSA-N 1 1 295.335 1.434 20 10 CDCDMO COC[C@H](CO)[NH2+]Cc1cccc(Br)c1O ZINC000234794318 932607865 /nfs/dbraw/zinc/60/78/65/932607865.db2.gz PUEIMUKRRIRECC-VIFPVBQESA-N 1 1 290.157 1.252 20 10 CDCDMO C[N@H+]1CCC[C@](C)(NC(=O)c2cc(O)c(O)c(O)c2)C1 ZINC001148591227 932755108 /nfs/dbraw/zinc/75/51/08/932755108.db2.gz VOOXTVYFHSFOQE-AWEZNQCLSA-N 1 1 280.324 1.018 20 10 CDCDMO CCNC(=O)C[N@@H+](CC)Cc1cccc(CC)c1O ZINC000692085119 934371284 /nfs/dbraw/zinc/37/12/84/934371284.db2.gz FZTCSFKKCYEATO-UHFFFAOYSA-N 1 1 264.369 1.913 20 10 CDCDMO C[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138496508 934464928 /nfs/dbraw/zinc/46/49/28/934464928.db2.gz RWZBDRXIQGYNFV-YOEHRIQHSA-N 1 1 290.407 1.726 20 10 CDCDMO C[N@@H+]1CCCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC001120810679 937838365 /nfs/dbraw/zinc/83/83/65/937838365.db2.gz UNLNJHIPHSMJJF-SECBINFHSA-N 1 1 254.355 1.668 20 10 CDCDMO C[N@H+]1CCCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC001120810679 937838366 /nfs/dbraw/zinc/83/83/66/937838366.db2.gz UNLNJHIPHSMJJF-SECBINFHSA-N 1 1 254.355 1.668 20 10 CDCDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c(O)c1 ZINC001203621030 939697388 /nfs/dbraw/zinc/69/73/88/939697388.db2.gz 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CDCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@@H]1C ZINC000896144662 620002173 /nfs/dbraw/zinc/00/21/73/620002173.db2.gz ZBQJOTPOASTCNV-AAEUAGOBSA-N 1 1 263.337 1.942 20 10 CDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H]3COCC[C@@H]31)CCC2 ZINC000902626246 625051785 /nfs/dbraw/zinc/05/17/85/625051785.db2.gz SMGBNIXMHLOZDT-DOTOQJQBSA-N 1 1 289.375 1.871 20 10 CDCDMO C[C@H]([NH2+]CCN1CCCOCC1)c1c(O)cccc1F ZINC000903227699 625925678 /nfs/dbraw/zinc/92/56/78/625925678.db2.gz MXNWOXOGBNGSEA-LBPRGKRZSA-N 1 1 282.359 1.904 20 10 CDCDMO COc1ccc2c(c1)CCCN2CC[NH+]1CCOCC1 ZINC000919880736 632688410 /nfs/dbraw/zinc/68/84/10/632688410.db2.gz NXPLIMQRNMYAPG-UHFFFAOYSA-N 1 1 276.380 1.780 20 10 CDCDMO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000381935052 1160102635 /nfs/dbraw/zinc/10/26/35/1160102635.db2.gz XRQSSODETUYBHH-ZDUSSCGKSA-N 1 1 257.341 1.734 20 10 CDCDMO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC000381935052 1160102638 /nfs/dbraw/zinc/10/26/38/1160102638.db2.gz XRQSSODETUYBHH-ZDUSSCGKSA-N 1 1 257.341 1.734 20 10 CDCDMO C[C@H](O)C[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000776520915 697651539 /nfs/dbraw/zinc/65/15/39/697651539.db2.gz IKQGLUNGGLZOAW-AWEZNQCLSA-N 1 1 277.412 1.251 20 10 CDCDMO C[C@H](O)C[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000776520915 697651544 /nfs/dbraw/zinc/65/15/44/697651544.db2.gz IKQGLUNGGLZOAW-AWEZNQCLSA-N 1 1 277.412 1.251 20 10 CDCDMO CC(C)[N@@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1[O-] ZINC000775642427 697654111 /nfs/dbraw/zinc/65/41/11/697654111.db2.gz HCXLCCCDSJQNQC-UHFFFAOYSA-N 1 1 274.723 1.880 20 10 CDCDMO Oc1c(C[N@@H+]2CCOC[C@H](O)C2)ccc2ccccc21 ZINC000824625025 697735611 /nfs/dbraw/zinc/73/56/11/697735611.db2.gz DMTDHMMBTHIXCF-CQSZACIVSA-N 1 1 273.332 1.739 20 10 CDCDMO c1cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc2c1OCC2 ZINC000824602683 697769093 /nfs/dbraw/zinc/76/90/93/697769093.db2.gz AFRYUTWNHTZTAR-UHFFFAOYSA-N 1 1 270.336 1.907 20 10 CDCDMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1O ZINC000780950961 697822206 /nfs/dbraw/zinc/82/22/06/697822206.db2.gz PIOSHTHSUHKIJW-WDEREUQCSA-N 1 1 278.352 1.619 20 10 CDCDMO C[N@@H+](Cc1ccccc1O)C1(CO)CCOCC1 ZINC000827909912 697868657 /nfs/dbraw/zinc/86/86/57/697868657.db2.gz YWDGZELXEDQZQA-UHFFFAOYSA-N 1 1 251.326 1.366 20 10 CDCDMO COC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1CCCO1 ZINC000883106189 697890166 /nfs/dbraw/zinc/89/01/66/697890166.db2.gz KSTFIWOHHKBVGG-STQMWFEESA-N 1 1 287.306 1.954 20 10 CDCDMO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(C)cc1O ZINC000876763998 697922379 /nfs/dbraw/zinc/92/23/79/697922379.db2.gz JYULRJFGHXRFCV-UHFFFAOYSA-N 1 1 271.382 1.567 20 10 CDCDMO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(C)cc1O ZINC000876763998 697922390 /nfs/dbraw/zinc/92/23/90/697922390.db2.gz JYULRJFGHXRFCV-UHFFFAOYSA-N 1 1 271.382 1.567 20 10 CDCDMO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1c(O)cccc1F ZINC000886622295 698100252 /nfs/dbraw/zinc/10/02/52/698100252.db2.gz PAMIBRMPSAIKMF-LPEHRKFASA-N 1 1 266.316 1.836 20 10 CDCDMO CC[C@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[C@H]1[NH3+] ZINC000843052848 698309811 /nfs/dbraw/zinc/30/98/11/698309811.db2.gz VRXPTDUUZLXAMP-WCQYABFASA-N 1 1 294.395 1.969 20 10 CDCDMO COc1cccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)c1O ZINC000809751913 698330620 /nfs/dbraw/zinc/33/06/20/698330620.db2.gz XOAHAAXAZBZLSM-SNVBAGLBSA-N 1 1 279.258 1.756 20 10 CDCDMO CCc1cccc(C[N@H+]2CC[C@@H](n3cncn3)C2)c1O ZINC000848903938 698467377 /nfs/dbraw/zinc/46/73/77/698467377.db2.gz HEWYJCFWBPNCLO-CQSZACIVSA-N 1 1 272.352 1.993 20 10 CDCDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846111307 698539763 /nfs/dbraw/zinc/53/97/63/698539763.db2.gz OCCIQCUAFWNDBD-ZDUSSCGKSA-N 1 1 296.386 1.865 20 10 CDCDMO Cc1cccc(O)c1C[NH2+]Cc1nnnn1C1CC1 ZINC000877069806 698557122 /nfs/dbraw/zinc/55/71/22/698557122.db2.gz FVKRMMWVYRTKBH-UHFFFAOYSA-N 1 1 259.313 1.312 20 10 CDCDMO Cc1ccc(C[N@H+]2CCC[C@H](OCCO)C2)c(O)c1 ZINC000876722285 698658450 /nfs/dbraw/zinc/65/84/50/698658450.db2.gz YZHWVAMFJICRPN-AWEZNQCLSA-N 1 1 265.353 1.674 20 10 CDCDMO CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000824815659 698712577 /nfs/dbraw/zinc/71/25/77/698712577.db2.gz WABLXNQKVJMWJI-ZWNOBZJWSA-N 1 1 279.336 1.978 20 10 CDCDMO COC(=O)[C@]1(F)CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160338842 698715168 /nfs/dbraw/zinc/71/51/68/698715168.db2.gz NRQGTTBJXKPFDQ-HNNXBMFYSA-N 1 1 297.326 1.796 20 10 CDCDMO COC(=O)[C@]1(F)CC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160338842 698715172 /nfs/dbraw/zinc/71/51/72/698715172.db2.gz NRQGTTBJXKPFDQ-HNNXBMFYSA-N 1 1 297.326 1.796 20 10 CDCDMO C[C@H](NC[C@H](O)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000305109983 698759366 /nfs/dbraw/zinc/75/93/66/698759366.db2.gz FKRTVJBWPYNDQB-WFASDCNBSA-N 1 1 265.401 1.326 20 10 CDCDMO COc1cc(O)c(C[N@@H+](C)C2(CO)CC2)cc1OC ZINC000827904098 698803836 /nfs/dbraw/zinc/80/38/36/698803836.db2.gz UYNFLWDSUBTKKR-UHFFFAOYSA-N 1 1 267.325 1.366 20 10 CDCDMO Cc1cc(C[N@@H+](C)C[C@H]2COCCO2)ccc1N(C)C ZINC000852498454 698835805 /nfs/dbraw/zinc/83/58/05/698835805.db2.gz ICUGDTIVPKORBO-HNNXBMFYSA-N 1 1 278.396 1.908 20 10 CDCDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877494622 698887125 /nfs/dbraw/zinc/88/71/25/698887125.db2.gz MQDRJUWEJGVNNT-HNNXBMFYSA-N 1 1 262.353 1.659 20 10 CDCDMO CCOc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1O ZINC000311889798 698931626 /nfs/dbraw/zinc/93/16/26/698931626.db2.gz DBAWCXHRWYJRSN-HNNXBMFYSA-N 1 1 264.369 1.962 20 10 CDCDMO COc1ccc(O)c(C[NH2+][C@@H](C)c2nnnn2C2CC2)c1 ZINC000191835398 704814382 /nfs/dbraw/zinc/81/43/82/704814382.db2.gz RGOBDPJNSYFGIS-VIFPVBQESA-N 1 1 289.339 1.573 20 10 CDCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(N)nc2)cc1 ZINC000843125865 704821691 /nfs/dbraw/zinc/82/16/91/704821691.db2.gz KAXBIZKDZVCHJG-HNNXBMFYSA-N 1 1 285.395 1.519 20 10 CDCDMO CCc1cccc(C[N@@H+]2CCOC[C@]23CCOC3)c1O ZINC000848908819 704835074 /nfs/dbraw/zinc/83/50/74/704835074.db2.gz FAYVPEJXBWPJQW-MRXNPFEDSA-N 1 1 277.364 1.946 20 10 CDCDMO CCc1cccc(C[N@H+]2CCOC[C@]23CCOC3)c1O ZINC000848908819 704835075 /nfs/dbraw/zinc/83/50/75/704835075.db2.gz FAYVPEJXBWPJQW-MRXNPFEDSA-N 1 1 277.364 1.946 20 10 CDCDMO CC[N@H+]1CC[C@@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000890073058 705081283 /nfs/dbraw/zinc/08/12/83/705081283.db2.gz FIOFCBOAGQLADU-CYBMUJFWSA-N 1 1 277.368 1.628 20 10 CDCDMO Cc1cc(C)c(O)c(C[N@H+](C)CC(=O)NC(C)C)c1 ZINC000111952385 705099674 /nfs/dbraw/zinc/09/96/74/705099674.db2.gz KIGQBZGWMYRICT-UHFFFAOYSA-N 1 1 264.369 1.965 20 10 CDCDMO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000817280716 705168929 /nfs/dbraw/zinc/16/89/29/705168929.db2.gz KSMODJGVRCKGAK-HNNXBMFYSA-N 1 1 275.396 1.771 20 10 CDCDMO CCc1cccc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1O ZINC000848919743 705209118 /nfs/dbraw/zinc/20/91/18/705209118.db2.gz RJGBTRXXGRNKPV-OAHLLOKOSA-N 1 1 276.380 1.205 20 10 CDCDMO CCc1cccc(C[NH+]2CC(N3CC[C@@H](O)C3)C2)c1O ZINC000848919743 705209128 /nfs/dbraw/zinc/20/91/28/705209128.db2.gz RJGBTRXXGRNKPV-OAHLLOKOSA-N 1 1 276.380 1.205 20 10 CDCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925689861 848083694 /nfs/dbraw/zinc/08/36/94/848083694.db2.gz ITUVBGJBMZRQNY-ZBFHGGJFSA-N 1 1 291.439 1.570 20 10 CDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000834905083 848176109 /nfs/dbraw/zinc/17/61/09/848176109.db2.gz FHAPRVBMONIRJP-ZUZCIYMTSA-N 1 1 293.363 1.990 20 10 CDCDMO C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000762788749 848239926 /nfs/dbraw/zinc/23/99/26/848239926.db2.gz QLRDZGWSYLPOIA-QMTHXVAHSA-N 1 1 295.339 1.018 20 10 CDCDMO C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000762788749 848239933 /nfs/dbraw/zinc/23/99/33/848239933.db2.gz QLRDZGWSYLPOIA-QMTHXVAHSA-N 1 1 295.339 1.018 20 10 CDCDMO CCOc1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c(O)c1 ZINC000843126289 848425232 /nfs/dbraw/zinc/42/52/32/848425232.db2.gz HUHPEXPCRMPPEG-IUODEOHRSA-N 1 1 276.380 1.975 20 10 CDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000249487164 848819864 /nfs/dbraw/zinc/81/98/64/848819864.db2.gz UOFFQJCDZAOOTM-DGCLKSJQSA-N 1 1 251.326 1.282 20 10 CDCDMO O[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000816667957 848935909 /nfs/dbraw/zinc/93/59/09/848935909.db2.gz AOBIICZZWJQNEU-QGZVFWFLSA-N 1 1 290.407 1.870 20 10 CDCDMO COc1cccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1O ZINC000895115301 848963551 /nfs/dbraw/zinc/96/35/51/848963551.db2.gz OWMGVIRRXIAXNY-OUAUKWLOSA-N 1 1 278.352 1.498 20 10 CDCDMO COc1cccc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1O ZINC000895115301 848963556 /nfs/dbraw/zinc/96/35/56/848963556.db2.gz OWMGVIRRXIAXNY-OUAUKWLOSA-N 1 1 278.352 1.498 20 10 CDCDMO C[C@H]([NH2+]CCCc1cnn(C)n1)c1c(O)cccc1F ZINC000886614332 848976534 /nfs/dbraw/zinc/97/65/34/848976534.db2.gz UDGXZOFWRZINCW-JTQLQIEISA-N 1 1 278.331 1.943 20 10 CDCDMO COc1cccc(O)c1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000809752138 849041032 /nfs/dbraw/zinc/04/10/32/849041032.db2.gz NOZLVSOMRVBGJR-CYBMUJFWSA-N 1 1 251.326 1.604 20 10 CDCDMO OCC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCC1 ZINC000708419387 849062047 /nfs/dbraw/zinc/06/20/47/849062047.db2.gz CPGKLCGMQIAODV-UHFFFAOYSA-N 1 1 257.280 1.923 20 10 CDCDMO C[NH2+]C[C@H]1CCCN(Cc2c(O)cccc2OC)C1 ZINC000843044581 849109210 /nfs/dbraw/zinc/10/92/10/849109210.db2.gz KFKWFMBMHIUXHU-GFCCVEGCSA-N 1 1 264.369 1.832 20 10 CDCDMO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886548103 849336207 /nfs/dbraw/zinc/33/62/07/849336207.db2.gz XGDPPLGZQSTTMR-VIFPVBQESA-N 1 1 290.360 1.121 20 10 CDCDMO CCn1ncnc1C[NH2+]Cc1cc(F)ccc1O ZINC000793343474 849456802 /nfs/dbraw/zinc/45/68/02/849456802.db2.gz MQMVPHJSQDAWCO-UHFFFAOYSA-N 1 1 250.277 1.433 20 10 CDCDMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(F)CC2)cc1 ZINC000880241031 849574521 /nfs/dbraw/zinc/57/45/21/849574521.db2.gz DBHJTSLIFIHNBK-UHFFFAOYSA-N 1 1 293.386 1.803 20 10 CDCDMO COCCOc1ccccc1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000819427631 849606907 /nfs/dbraw/zinc/60/69/07/849606907.db2.gz UFXIOBKIIYWYLI-AWEZNQCLSA-N 1 1 294.395 1.579 20 10 CDCDMO C[C@H]([NH2+]CCN1CCC(O)CC1)c1c(O)cccc1F ZINC000886622596 850032554 /nfs/dbraw/zinc/03/25/54/850032554.db2.gz XTPBHKLZJZYLDJ-NSHDSACASA-N 1 1 282.359 1.639 20 10 CDCDMO CC[N@@H+](CC(=O)NCc1ccc(OC)cc1O)C1CC1 ZINC000794377547 850354870 /nfs/dbraw/zinc/35/48/70/850354870.db2.gz JWPHIUCHTSTCFK-UHFFFAOYSA-N 1 1 278.352 1.501 20 10 CDCDMO C[C@@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)CC[N@H+]1C ZINC000841835986 850420542 /nfs/dbraw/zinc/42/05/42/850420542.db2.gz JMTSBUUWCWVOEE-IUODEOHRSA-N 1 1 290.411 1.593 20 10 CDCDMO CN1CCOc2cc(C[N@H+]3CCC[C@H]([NH3+])CC3)ccc21 ZINC001205110725 913690744 /nfs/dbraw/zinc/69/07/44/913690744.db2.gz ZFDZWQUSSDCLBW-AWEZNQCLSA-N 1 1 275.396 1.828 20 10 CDCDMO CN1CCOc2cc(CN3CCC[C@H]([NH3+])CC3)ccc21 ZINC001205110725 913690755 /nfs/dbraw/zinc/69/07/55/913690755.db2.gz ZFDZWQUSSDCLBW-AWEZNQCLSA-N 1 1 275.396 1.828 20 10 CDCDMO CCn1cc(C[NH2+]Cc2cc(F)ccc2O)nn1 ZINC000404445956 897274986 /nfs/dbraw/zinc/27/49/86/897274986.db2.gz CXSJSFITWYSHGL-UHFFFAOYSA-N 1 1 250.277 1.433 20 10 CDCDMO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141155965 899821474 /nfs/dbraw/zinc/82/14/74/899821474.db2.gz 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521871866 /nfs/dbraw/zinc/87/18/66/521871866.db2.gz LVJXPPUCEBUEJT-NXEZZACHSA-N 1 1 296.323 1.512 20 10 CDCDMO COc1c(O)c(C[NH2+][C@@H](C)CCO)ccc1[N+](=O)[O-] ZINC000278493169 521879386 /nfs/dbraw/zinc/87/93/86/521879386.db2.gz LRQZBEBOECEXCJ-QMMMGPOBSA-N 1 1 270.285 1.170 20 10 CDCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCC[C@H]1O ZINC000289602905 523186020 /nfs/dbraw/zinc/18/60/20/523186020.db2.gz KYLJBTCYCROMEW-GHMZBOCLSA-N 1 1 265.309 1.466 20 10 CDCDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000079435400 523863588 /nfs/dbraw/zinc/86/35/88/523863588.db2.gz FRDUIYJTAOJREI-SECBINFHSA-N 1 1 297.326 1.975 20 10 CDCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@]2(CCOC2)O1 ZINC000280241840 524987043 /nfs/dbraw/zinc/98/70/43/524987043.db2.gz KOHNFGLNHMOOSU-ABAIWWIYSA-N 1 1 281.327 1.911 20 10 CDCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000292791909 525340393 /nfs/dbraw/zinc/34/03/93/525340393.db2.gz MOEXMACMYSOAAL-CYBMUJFWSA-N 1 1 298.408 1.166 20 10 CDCDMO 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CCNC(=O)C[N@@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000773730745 575836551 /nfs/dbraw/zinc/83/65/51/575836551.db2.gz QLRHFZOLTQVYCR-UHFFFAOYSA-N 1 1 263.385 1.711 20 10 CDCDMO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(F)cc(F)c1O ZINC000756768393 575923732 /nfs/dbraw/zinc/92/37/32/575923732.db2.gz DEIXCOOVIVZLKU-OQPBUACISA-N 1 1 273.279 1.472 20 10 CDCDMO OC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768142723 576260801 /nfs/dbraw/zinc/26/08/01/576260801.db2.gz MPBMLYIIUPCRDA-QGZVFWFLSA-N 1 1 290.407 1.870 20 10 CDCDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462079 576286485 /nfs/dbraw/zinc/28/64/85/576286485.db2.gz IVLLOPSHIPMIOK-NVBFEUDRSA-N 1 1 293.363 1.553 20 10 CDCDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(F)cc1O ZINC000756639769 576998207 /nfs/dbraw/zinc/99/82/07/576998207.db2.gz CXVJOCMNTIEPJB-VIFPVBQESA-N 1 1 289.310 1.876 20 10 CDCDMO C[N@@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCNC1=O ZINC000758401009 577105275 /nfs/dbraw/zinc/10/52/75/577105275.db2.gz PJRAPEUDMPKFBH-AWEZNQCLSA-N 1 1 270.332 1.866 20 10 CDCDMO COc1ccc(C[N@@H+](C)Cc2cnn(C)c2)c(O)c1 ZINC000119730532 1175152662 /nfs/dbraw/zinc/15/26/62/1175152662.db2.gz WDSVLDVHPODTGW-UHFFFAOYSA-N 1 1 261.325 1.766 20 10 CDCDMO Cc1cc(N(C)C)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000840919685 617706646 /nfs/dbraw/zinc/70/66/46/617706646.db2.gz APVMPDSGRPSTBG-GASCZTMLSA-N 1 1 259.397 1.712 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2CO)c1O ZINC000893921615 618179286 /nfs/dbraw/zinc/17/92/86/618179286.db2.gz NPOAMXGHQWNQEC-GFCCVEGCSA-N 1 1 251.326 1.666 20 10 CDCDMO CC[N@@H+](CC(=O)NC)Cc1cc(C)cc(OC)c1O ZINC000893939208 618200928 /nfs/dbraw/zinc/20/09/28/618200928.db2.gz AKFFQNPAZLYCNA-UHFFFAOYSA-N 1 1 266.341 1.277 20 10 CDCDMO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841043438 618677774 /nfs/dbraw/zinc/67/77/74/618677774.db2.gz OINDHGAYQNXSMX-MRXNPFEDSA-N 1 1 287.411 1.882 20 10 CDCDMO COc1cc(C)cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1O ZINC000894432252 618881280 /nfs/dbraw/zinc/88/12/80/618881280.db2.gz 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COc1ccc(O)c(C[N@@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000809751301 1162506687 /nfs/dbraw/zinc/50/66/87/1162506687.db2.gz QCUQRZACDIGMHU-LLVKDONJSA-N 1 1 279.258 1.756 20 10 CDCDMO COc1ccc(O)c([C@@H](C)NC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000809972079 1163131797 /nfs/dbraw/zinc/13/17/97/1163131797.db2.gz QHFBJHVEBPQARM-YPMHNXCESA-N 1 1 294.395 1.507 20 10 CDCDMO COc1ccc(O)c([C@@H](C)NC[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000809972079 1163131800 /nfs/dbraw/zinc/13/18/00/1163131800.db2.gz QHFBJHVEBPQARM-YPMHNXCESA-N 1 1 294.395 1.507 20 10 CDCDMO COCCN(C)CCC[NH2+]Cc1ccc(C)cc1O ZINC000876928401 1165941513 /nfs/dbraw/zinc/94/15/13/1165941513.db2.gz CEIIDHDTPLIGKW-UHFFFAOYSA-N 1 1 266.385 1.759 20 10 CDCDMO Cc1ccc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c(O)c1 ZINC000877471855 1166045108 /nfs/dbraw/zinc/04/51/08/1166045108.db2.gz CFIAIDZFPAHLBA-AWEZNQCLSA-N 1 1 274.364 1.897 20 10 CDCDMO COc1ccc(C[N@H+]2CCCN(C(C)=O)CC2)c(O)c1 ZINC000133286109 1175803833 /nfs/dbraw/zinc/80/38/33/1175803833.db2.gz 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