smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC[C@H]([N@H+](C)Cc2cc(Cl)c(F)cc2O)C1=O ZINC000295397966 378672884 /nfs/dbraw/zinc/67/28/84/378672884.db2.gz QJYMPIWYZBEANS-NSHDSACASA-N 1 2 286.734 1.847 10 10 CDCELO CN1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2O)C1=O ZINC000295397966 378672888 /nfs/dbraw/zinc/67/28/88/378672888.db2.gz QJYMPIWYZBEANS-NSHDSACASA-N 1 2 286.734 1.847 10 10 CDCELO CC(=O)N1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000271167020 482832981 /nfs/dbraw/zinc/83/29/81/482832981.db2.gz GAOIDPXARZORCC-LBPRGKRZSA-N 1 2 293.386 1.944 10 10 CDCELO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000271167020 482832984 /nfs/dbraw/zinc/83/29/84/482832984.db2.gz GAOIDPXARZORCC-LBPRGKRZSA-N 1 2 293.386 1.944 10 10 CDCELO Cc1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)c(O)c1O ZINC000912614455 630106018 /nfs/dbraw/zinc/10/60/18/630106018.db2.gz ALWMTWMDJKOPEX-UHFFFAOYSA-N 1 2 289.335 1.768 10 10 CDCELO CC(C)[N@H+](Cc1cccc(Cl)c1O)C[C@H](O)CO ZINC000817417377 679639844 /nfs/dbraw/zinc/63/98/44/679639844.db2.gz DSZFKZJHZWWHMK-NSHDSACASA-N 1 2 273.760 1.609 10 10 CDCELO NC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775745581 678100513 /nfs/dbraw/zinc/10/05/13/678100513.db2.gz YBUMHESSEXQUPK-SECBINFHSA-N 1 2 287.722 1.427 10 10 CDCELO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775745581 678100516 /nfs/dbraw/zinc/10/05/16/678100516.db2.gz YBUMHESSEXQUPK-SECBINFHSA-N 1 2 287.722 1.427 10 10 CDCELO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000862475217 678731314 /nfs/dbraw/zinc/73/13/14/678731314.db2.gz CYHBJPREWDXVIA-AWEZNQCLSA-N 1 2 299.754 1.810 10 10 CDCELO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1cn(C)nn1 ZINC000720605873 678920451 /nfs/dbraw/zinc/92/04/51/678920451.db2.gz HDUCEOUCRZJJRF-ZETCQYMHSA-N 1 2 268.267 1.650 10 10 CDCELO CN(C)c1ccc(/C=C\C[NH+]2CCN(CCO)CC2)cc1 ZINC000103862420 678937389 /nfs/dbraw/zinc/93/73/89/678937389.db2.gz BLNJDOKGLUEBKJ-ARJAWSKDSA-N 1 2 289.423 1.376 10 10 CDCELO CC1(C(N)=O)C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000843415081 678954642 /nfs/dbraw/zinc/95/46/42/678954642.db2.gz BQPDCGWBMOZJRF-UHFFFAOYSA-N 1 2 254.717 1.353 10 10 CDCELO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000180117157 679131178 /nfs/dbraw/zinc/13/11/78/679131178.db2.gz ATCJMJOUIQZKJW-AWEZNQCLSA-N 1 2 291.326 1.629 10 10 CDCELO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000180117157 679131179 /nfs/dbraw/zinc/13/11/79/679131179.db2.gz ATCJMJOUIQZKJW-AWEZNQCLSA-N 1 2 291.326 1.629 10 10 CDCELO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)c1O ZINC000840979104 679581843 /nfs/dbraw/zinc/58/18/43/679581843.db2.gz RKTGPJIRKWKBEI-ZWNOBZJWSA-N 1 2 285.771 1.936 10 10 CDCELO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)c1O ZINC000840979104 679581848 /nfs/dbraw/zinc/58/18/48/679581848.db2.gz RKTGPJIRKWKBEI-ZWNOBZJWSA-N 1 2 285.771 1.936 10 10 CDCELO OCCC1C[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000839135663 679601556 /nfs/dbraw/zinc/60/15/56/679601556.db2.gz HCNPFSFZROHDIA-UHFFFAOYSA-N 1 2 259.708 1.999 10 10 CDCELO CC(C)[N@@H+](Cc1cccc(Cl)c1O)C[C@H](O)CO ZINC000817417377 679639843 /nfs/dbraw/zinc/63/98/43/679639843.db2.gz DSZFKZJHZWWHMK-NSHDSACASA-N 1 2 273.760 1.609 10 10 CDCELO Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)cc[nH+]1 ZINC001629132906 1166116815 /nfs/dbraw/zinc/11/68/15/1166116815.db2.gz ZJEISCGXQFCTKA-UHFFFAOYSA-N 1 2 258.277 1.404 10 10 CDCELO C[S@](=O)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309905071 1186667983 /nfs/dbraw/zinc/66/79/83/1186667983.db2.gz JUCFUNOFUCWPKB-INIZCTEOSA-N 1 2 265.737 1.653 10 10 CDCELO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc(O)ccc1O ZINC001176755208 914262499 /nfs/dbraw/zinc/26/24/99/914262499.db2.gz NLWVAFBLXXNSBI-VIFPVBQESA-N 1 2 275.308 1.316 10 10 CDCELO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(O)ccc1O ZINC001176755208 914262512 /nfs/dbraw/zinc/26/25/12/914262512.db2.gz NLWVAFBLXXNSBI-VIFPVBQESA-N 1 2 275.308 1.316 10 10 CDCELO Cn1c[nH+]cc1CNC(=O)NCc1c(O)cccc1F ZINC001235407401 944146238 /nfs/dbraw/zinc/14/62/38/944146238.db2.gz IXAFXGGEESFXQZ-UHFFFAOYSA-N 1 2 278.287 1.264 10 10 CDCELO CCn1c(C)nnc1C[N@H+](C)Cc1ccccc1O ZINC000171937335 365433551 /nfs/dbraw/zinc/43/35/51/365433551.db2.gz HRHGCAVVWDDOKU-UHFFFAOYSA-N 1 2 260.341 1.944 10 10 CDCELO CCn1c(C)nnc1C[N@@H+](C)Cc1ccccc1O ZINC000171937335 365433554 /nfs/dbraw/zinc/43/35/54/365433554.db2.gz HRHGCAVVWDDOKU-UHFFFAOYSA-N 1 2 260.341 1.944 10 10 CDCELO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(Cl)c1O ZINC000180234478 329218767 /nfs/dbraw/zinc/21/87/67/329218767.db2.gz XIQSIJCCYVCQLY-ZYHUDNBSSA-N 1 2 299.754 1.808 10 10 CDCELO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000180234478 329218768 /nfs/dbraw/zinc/21/87/68/329218768.db2.gz XIQSIJCCYVCQLY-ZYHUDNBSSA-N 1 2 299.754 1.808 10 10 CDCELO c1nn[nH]c1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000398411009 1160106769 /nfs/dbraw/zinc/10/67/69/1160106769.db2.gz QWWKKJFBDKJZJX-UHFFFAOYSA-N 1 2 257.341 1.695 10 10 CDCELO C[C@@H]([NH2+]Cc1ccn(C)n1)c1cc([N+](=O)[O-])ccc1O ZINC000756777462 577003611 /nfs/dbraw/zinc/00/36/11/577003611.db2.gz IOTBTVDOPBFUBE-SECBINFHSA-N 1 2 276.296 1.885 10 10 CDCELO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1c(O)cccc1F ZINC000905150199 626661268 /nfs/dbraw/zinc/66/12/68/626661268.db2.gz ZIALTMITHSFQML-SNVBAGLBSA-N 1 2 292.314 1.616 10 10 CDCELO COc1cccc(CNC(=O)C[NH+]2CC(C)(C)C2)c1O ZINC000847589127 682211794 /nfs/dbraw/zinc/21/17/94/682211794.db2.gz GKOVWFLPBYGJBX-UHFFFAOYSA-N 1 2 278.352 1.359 10 10 CDCELO C[C@H]1CN(CCO)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000825338617 683677536 /nfs/dbraw/zinc/67/75/36/683677536.db2.gz RCHWAEXYEYSGHE-NSHDSACASA-N 1 2 284.787 1.544 10 10 CDCELO C[C@H]1CN(CCO)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000825338617 683677545 /nfs/dbraw/zinc/67/75/45/683677545.db2.gz RCHWAEXYEYSGHE-NSHDSACASA-N 1 2 284.787 1.544 10 10 CDCELO CC1(C)C[NH+](CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862025991 683922751 /nfs/dbraw/zinc/92/27/51/683922751.db2.gz DVHVROBFTMYJJH-UHFFFAOYSA-N 1 2 299.374 1.898 10 10 CDCELO CCN(OC)C(=O)C[NH2+]Cc1cccc(Cl)c1O ZINC000843431156 684075011 /nfs/dbraw/zinc/07/50/11/684075011.db2.gz XMMPOSDQIDXZQI-UHFFFAOYSA-N 1 2 272.732 1.545 10 10 CDCELO CN1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2O)C1=O ZINC000703285842 684187137 /nfs/dbraw/zinc/18/71/37/684187137.db2.gz MHTFMRZNAFBCIB-SNVBAGLBSA-N 1 2 270.279 1.381 10 10 CDCELO O=C(C[NH2+]Cc1cccc(Cl)c1O)NCC1CC1 ZINC000393058028 1187284563 /nfs/dbraw/zinc/28/45/63/1187284563.db2.gz NTENGXVJZVEPTI-UHFFFAOYSA-N 1 2 268.744 1.661 10 10 CDCELO COC(=O)[C@H]([NH2+]Cc1cccc(C)c1O)C(C)C ZINC000083385000 178391819 /nfs/dbraw/zinc/39/18/19/178391819.db2.gz VGPVFQJDBAWINP-GFCCVEGCSA-N 1 2 251.326 1.988 10 10 CDCELO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H](C)O1 ZINC000092013478 360262052 /nfs/dbraw/zinc/26/20/52/360262052.db2.gz IVKBBQOQABLQMZ-NOZJJQNGSA-N 1 2 299.754 1.808 10 10 CDCELO COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H](C)O1 ZINC000092013478 360262053 /nfs/dbraw/zinc/26/20/53/360262053.db2.gz IVKBBQOQABLQMZ-NOZJJQNGSA-N 1 2 299.754 1.808 10 10 CDCELO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C1N=NC(=O)N1C ZINC000895172079 619409259 /nfs/dbraw/zinc/40/92/59/619409259.db2.gz RCKUYASQDMYUTF-LURJTMIESA-N 1 2 284.266 1.355 10 10 CDCELO COC(=O)C1CC([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000895457473 619675259 /nfs/dbraw/zinc/67/52/59/619675259.db2.gz MZGUWHXNVVUSFO-UHFFFAOYSA-N 1 2 271.263 1.712 10 10 CDCELO COc1ccc(O)c(CNC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000847591362 685935553 /nfs/dbraw/zinc/93/55/53/685935553.db2.gz UHPLDPVCDBRVEP-UHFFFAOYSA-N 1 2 278.352 1.359 10 10 CDCELO CCN1CC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000712614473 686003586 /nfs/dbraw/zinc/00/35/86/686003586.db2.gz MFDLNHLAWFZNLU-NSHDSACASA-N 1 2 256.296 1.854 10 10 CDCELO CN(C)c1cc(F)c(C[NH+]2CC(CCO)C2)cc1F ZINC000862389423 687858237 /nfs/dbraw/zinc/85/82/37/687858237.db2.gz JUBMOXCYRXPAJA-UHFFFAOYSA-N 1 2 270.323 1.845 10 10 CDCELO CO[C@@]1(C[NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000126978531 688010827 /nfs/dbraw/zinc/01/08/27/688010827.db2.gz PDISDYZJMPDNHQ-CYBMUJFWSA-N 1 2 271.744 1.941 10 10 CDCELO C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)C(=O)N(C)C ZINC000703329904 688195359 /nfs/dbraw/zinc/19/53/59/688195359.db2.gz SZSIPCBYGDYSGR-ZETCQYMHSA-N 1 2 258.268 1.237 10 10 CDCELO Cn1cc[nH+]c1CCC(=O)NCc1c(O)cccc1O ZINC001645363456 1167397559 /nfs/dbraw/zinc/39/75/59/1167397559.db2.gz VVDYTNDQDZRWIK-UHFFFAOYSA-N 1 2 275.308 1.080 10 10 CDCELO Cn1ncc2c1nc[nH+]c2NCc1c(O)cccc1F ZINC001652252073 1171412697 /nfs/dbraw/zinc/41/26/97/1171412697.db2.gz GPWCYNQOPVQWOK-UHFFFAOYSA-N 1 2 273.271 1.820 10 10 CDCELO Cc1n[nH]c(CC[NH2+]Cc2cccc(F)c2O)n1 ZINC000392380675 1187279180 /nfs/dbraw/zinc/27/91/80/1187279180.db2.gz RRHCYBOGVYMBLU-UHFFFAOYSA-N 1 2 250.277 1.290 10 10 CDCELO Oc1cc2c(cc1C[N@@H+]1CCN3CCCC[C@@H]3C1)OCO2 ZINC000156080944 361715064 /nfs/dbraw/zinc/71/50/64/361715064.db2.gz IOOGJUMETYPTGP-CYBMUJFWSA-N 1 2 290.363 1.791 10 10 CDCELO Oc1cc2c(cc1C[N@H+]1CCN3CCCC[C@@H]3C1)OCO2 ZINC000156080944 361715071 /nfs/dbraw/zinc/71/50/71/361715071.db2.gz IOOGJUMETYPTGP-CYBMUJFWSA-N 1 2 290.363 1.791 10 10 CDCELO C[C@H]1C[N@H+](CCO)CCN1Cc1cc(F)cc(F)c1O ZINC000894957520 619159965 /nfs/dbraw/zinc/15/99/65/619159965.db2.gz MFANMZLLKQEEMZ-JTQLQIEISA-N 1 2 286.322 1.169 10 10 CDCELO C[C@H]1C[N@@H+](CCO)CCN1Cc1cc(F)cc(F)c1O ZINC000894957520 619159967 /nfs/dbraw/zinc/15/99/67/619159967.db2.gz MFANMZLLKQEEMZ-JTQLQIEISA-N 1 2 286.322 1.169 10 10 CDCELO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C1=CC(=O)CS1 ZINC000928084376 694418075 /nfs/dbraw/zinc/41/80/75/694418075.db2.gz WVSKPJBGMPIZSF-QWRGUYRKSA-N 1 2 298.433 1.763 10 10 CDCELO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C1=CC(=O)CS1 ZINC000928084376 694418084 /nfs/dbraw/zinc/41/80/84/694418084.db2.gz WVSKPJBGMPIZSF-QWRGUYRKSA-N 1 2 298.433 1.763 10 10 CDCELO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1Cl ZINC000862535827 692340505 /nfs/dbraw/zinc/34/05/05/692340505.db2.gz ZKCCYPYIJBWFOU-NSHDSACASA-N 1 2 298.770 1.430 10 10 CDCELO Cc1cc(O)c(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1Cl ZINC000862535827 692340509 /nfs/dbraw/zinc/34/05/09/692340509.db2.gz ZKCCYPYIJBWFOU-NSHDSACASA-N 1 2 298.770 1.430 10 10 CDCELO O=C1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1 ZINC000789769836 693108435 /nfs/dbraw/zinc/10/84/35/693108435.db2.gz VAWNGSKGQKDJSX-CQSZACIVSA-N 1 2 298.745 1.897 10 10 CDCELO O=C1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1 ZINC000789769836 693108438 /nfs/dbraw/zinc/10/84/38/693108438.db2.gz VAWNGSKGQKDJSX-CQSZACIVSA-N 1 2 298.745 1.897 10 10 CDCELO CN(C)C(=O)C1([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000840956809 694881146 /nfs/dbraw/zinc/88/11/46/694881146.db2.gz FDHJNSLYUHHZQA-UHFFFAOYSA-N 1 2 286.734 1.895 10 10 CDCELO Cc1[nH]c(CNC(=O)/C=C\c2ccc(O)c(O)c2)[nH+]c1C ZINC001630882322 1166239736 /nfs/dbraw/zinc/23/97/36/1166239736.db2.gz KOPKABYDPAPDBZ-XQRVVYSFSA-N 1 2 287.319 1.767 10 10 CDCELO Oc1cc2c(cc1C[N@@H+]1CCc3nccnc3C1)[C@@H](O)CO2 ZINC000853605759 723610022 /nfs/dbraw/zinc/61/00/22/723610022.db2.gz HNDKQAIAXIQHLI-HNNXBMFYSA-N 1 2 299.330 1.166 10 10 CDCELO Oc1cc2c(cc1C[N@H+]1CCc3nccnc3C1)[C@@H](O)CO2 ZINC000853605759 723610027 /nfs/dbraw/zinc/61/00/27/723610027.db2.gz HNDKQAIAXIQHLI-HNNXBMFYSA-N 1 2 299.330 1.166 10 10 CDCELO C[C@@H](O)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000840977671 936970767 /nfs/dbraw/zinc/97/07/67/936970767.db2.gz IYZPSYYOWCFCLC-NOZJJQNGSA-N 1 2 271.744 1.627 10 10 CDCELO C[C@@H](O)[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000840977671 936970770 /nfs/dbraw/zinc/97/07/70/936970770.db2.gz IYZPSYYOWCFCLC-NOZJJQNGSA-N 1 2 271.744 1.627 10 10 CDCELO NC(=O)N=Nc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC001540771889 967171024 /nfs/dbraw/zinc/17/10/24/967171024.db2.gz CDNOOXFYKAJDNW-UHFFFAOYSA-N 1 2 286.295 1.476 10 10 CDCELO CC(=O)Nc1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000082312518 358158899 /nfs/dbraw/zinc/15/88/99/358158899.db2.gz GDYRUTUBRQXWSW-UHFFFAOYSA-N 1 2 250.298 1.183 10 10 CDCELO [NH3+][C@H](CO)c1c(O)cc(Br)cc1F ZINC000072199090 295331969 /nfs/dbraw/zinc/33/19/69/295331969.db2.gz MAWFJHFTTCTMFG-ZCFIWIBFSA-N 1 2 250.067 1.286 10 10 CDCELO CN(C)c1[nH+]cccc1CNC(=O)Cc1ccc(N)cc1 ZINC000262118165 329999980 /nfs/dbraw/zinc/99/99/80/329999980.db2.gz IELAEAXRPVRJDL-UHFFFAOYSA-N 1 2 284.363 1.589 10 10 CDCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCNC(=O)CC2)c1O ZINC000062101473 518282886 /nfs/dbraw/zinc/28/28/86/518282886.db2.gz XAVXHLYUFZJKGO-UHFFFAOYSA-N 1 2 280.299 1.056 10 10 CDCELO CC(=O)c1cc(F)cc(C[N@H+]2CCNC(=O)CC2)c1O ZINC000062101473 518282893 /nfs/dbraw/zinc/28/28/93/518282893.db2.gz XAVXHLYUFZJKGO-UHFFFAOYSA-N 1 2 280.299 1.056 10 10 CDCELO Cc1cc(O)c(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)c(Cl)c1 ZINC000840977723 617984967 /nfs/dbraw/zinc/98/49/67/617984967.db2.gz JLCUGYLRURYOML-YGRLFVJLSA-N 1 2 285.771 1.936 10 10 CDCELO Cc1cc(O)c(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)c(Cl)c1 ZINC000840977723 617984979 /nfs/dbraw/zinc/98/49/79/617984979.db2.gz JLCUGYLRURYOML-YGRLFVJLSA-N 1 2 285.771 1.936 10 10 CDCELO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C1N=NC(=O)N1C ZINC000895172080 619409140 /nfs/dbraw/zinc/40/91/40/619409140.db2.gz RCKUYASQDMYUTF-ZCFIWIBFSA-N 1 2 284.266 1.355 10 10 CDCELO Nc1ccc(CCNC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000846666905 695313026 /nfs/dbraw/zinc/31/30/26/695313026.db2.gz XAULEYTYWUHMEH-UHFFFAOYSA-N 1 2 298.390 1.703 10 10 CDCELO COC(=O)[C@@H](C[C@@H]1CCCOC1)[NH2+]Cc1ccccc1O ZINC000862516182 695457983 /nfs/dbraw/zinc/45/79/83/695457983.db2.gz MHYZCEHSZHEPJL-GXTWGEPZSA-N 1 2 293.363 1.840 10 10 CDCELO CCN1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2O)C1=O ZINC000722350750 695568811 /nfs/dbraw/zinc/56/88/11/695568811.db2.gz HDEPTXXRXXWIDW-NSHDSACASA-N 1 2 284.306 1.771 10 10 CDCELO C[C@@H](C(=O)NCc1c(O)cccc1F)n1cc[nH+]c1 ZINC001635360625 1166582176 /nfs/dbraw/zinc/58/21/76/1166582176.db2.gz OICWKUXZFCXXJR-VIFPVBQESA-N 1 2 263.272 1.605 10 10 CDCELO O=C(NCc1cc(O)ccc1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001593872710 1174173826 /nfs/dbraw/zinc/17/38/26/1174173826.db2.gz BHCNJPUZFLEUHM-SNVBAGLBSA-N 1 2 287.319 1.173 10 10 CDCELO COc1ccc(CNc2nc(N(C)C)nc(C)[nH+]2)c(O)c1 ZINC000795292056 723711205 /nfs/dbraw/zinc/71/12/05/723711205.db2.gz KEQKEKNPVSTGNK-UHFFFAOYSA-N 1 2 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CN(Cc1ccccc1O)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302877395 364592171 /nfs/dbraw/zinc/59/21/71/364592171.db2.gz GNZQJOGSZFOJNH-UHFFFAOYSA-N 1 2 284.323 1.288 10 10 CDCELO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1N(C)C ZINC000160191475 261207664 /nfs/dbraw/zinc/20/76/64/261207664.db2.gz GGTJJTDLWZMQGO-MFKMUULPSA-N 1 2 252.333 1.913 10 10 CDCELO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)[C@H](C)CN1CCO ZINC000841891545 619745452 /nfs/dbraw/zinc/74/54/52/619745452.db2.gz LWCKPEMVKWZQNL-VXGBXAGGSA-N 1 2 298.814 1.933 10 10 CDCELO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)[C@H](C)CN1CCO ZINC000841891545 619745455 /nfs/dbraw/zinc/74/54/55/619745455.db2.gz LWCKPEMVKWZQNL-VXGBXAGGSA-N 1 2 298.814 1.933 10 10 CDCELO Cc1c[nH+]c2cc(C(=O)NCc3cccc(O)c3O)ccn12 ZINC001644710875 1167341435 /nfs/dbraw/zinc/34/14/35/1167341435.db2.gz MLTBCPKPGPWVHD-UHFFFAOYSA-N 1 2 297.314 1.984 10 10 CDCELO O=S1(=O)CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124838094 747192737 /nfs/dbraw/zinc/19/27/37/747192737.db2.gz VSSKDQPDOFIGIZ-JTQLQIEISA-N 1 2 289.784 1.712 10 10 CDCELO C[NH+](C)Cc1csc(CNC(=O)C2=CC(=O)CS2)n1 ZINC000927763605 747801911 /nfs/dbraw/zinc/80/19/11/747801911.db2.gz KVJJNTPLHGLSLS-UHFFFAOYSA-N 1 2 297.405 1.902 10 10 CDCELO Cn1ncc(C[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000816610111 749072874 /nfs/dbraw/zinc/07/28/74/749072874.db2.gz YJSYMHBDRMOSFK-UHFFFAOYSA-N 1 2 270.695 1.603 10 10 CDCELO O=C(CCn1cc[nH+]c1)NCc1cccc(O)c1O ZINC001558160488 965238782 /nfs/dbraw/zinc/23/87/82/965238782.db2.gz WPSZLBOBWFJVIG-UHFFFAOYSA-N 1 2 261.281 1.001 10 10 CDCELO COc1ccc(O)c(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282835796 368060777 /nfs/dbraw/zinc/06/07/77/368060777.db2.gz VCUDOCUJWKGCNA-JTQLQIEISA-N 1 2 264.325 1.063 10 10 CDCELO COc1ccc(O)c(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282835796 368060786 /nfs/dbraw/zinc/06/07/86/368060786.db2.gz VCUDOCUJWKGCNA-JTQLQIEISA-N 1 2 264.325 1.063 10 10 CDCELO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cc([N+](=O)[O-])ccc1O ZINC000296535840 296162596 /nfs/dbraw/zinc/16/25/96/296162596.db2.gz QRQWJADMFIEKLX-KCJUWKMLSA-N 1 2 279.296 1.230 10 10 CDCELO O=C(N[C@H]1CCn2c[nH+]cc21)c1cccc(O)c1O ZINC001647819874 1169061740 /nfs/dbraw/zinc/06/17/40/1169061740.db2.gz OBPNBXWCXXLYPN-VIFPVBQESA-N 1 2 259.265 1.169 10 10 CDCELO CN1C[C@@H](C[NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000723588797 751392355 /nfs/dbraw/zinc/39/23/55/751392355.db2.gz AXMGGKLFCKMXOO-SECBINFHSA-N 1 2 268.744 1.614 10 10 CDCELO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000703393724 751884829 /nfs/dbraw/zinc/88/48/29/751884829.db2.gz BZYUBJVWOSZKFE-NSHDSACASA-N 1 2 286.322 1.921 10 10 CDCELO CCON(C)C(=O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000846063748 749451660 /nfs/dbraw/zinc/45/16/60/749451660.db2.gz HHOZVOYPSBDGKA-UHFFFAOYSA-N 1 2 290.722 1.684 10 10 CDCELO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c(Cl)c1 ZINC000862535456 750085429 /nfs/dbraw/zinc/08/54/29/750085429.db2.gz NSFHTKNZKWLLCA-JTQLQIEISA-N 1 2 298.770 1.430 10 10 CDCELO COc1cccc(O)c1C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000802653189 753671800 /nfs/dbraw/zinc/67/18/00/753671800.db2.gz JCJAJTAKGVEUPT-LBPRGKRZSA-N 1 2 273.279 1.867 10 10 CDCELO COc1cccc(O)c1C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000802653189 753671808 /nfs/dbraw/zinc/67/18/08/753671808.db2.gz JCJAJTAKGVEUPT-LBPRGKRZSA-N 1 2 273.279 1.867 10 10 CDCELO O=C(CCc1[nH]cc[nH+]1)NCc1ccc(O)c(O)c1 ZINC001622643906 1165732777 /nfs/dbraw/zinc/73/27/77/1165732777.db2.gz ZLZXUYOUPMTHIR-UHFFFAOYSA-N 1 2 261.281 1.070 10 10 CDCELO CCOc1cccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c1O ZINC000282859736 368072529 /nfs/dbraw/zinc/07/25/29/368072529.db2.gz XDGSVOOBYAUCOJ-NSHDSACASA-N 1 2 278.352 1.453 10 10 CDCELO CCOc1cccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c1O ZINC000282859736 368072534 /nfs/dbraw/zinc/07/25/34/368072534.db2.gz XDGSVOOBYAUCOJ-NSHDSACASA-N 1 2 278.352 1.453 10 10 CDCELO [NH3+][C@H](CO)c1c(O)cc(F)c(Br)c1F ZINC000072199440 295332029 /nfs/dbraw/zinc/33/20/29/295332029.db2.gz SMJLDTNZEVMJNE-SCSAIBSYSA-N 1 2 268.057 1.425 10 10 CDCELO C[C@@H](CC(=O)NCc1c(O)cccc1F)n1cc[nH+]c1 ZINC000928705924 620504777 /nfs/dbraw/zinc/50/47/77/620504777.db2.gz MOYPNKRABNOIRH-JTQLQIEISA-N 1 2 277.299 1.995 10 10 CDCELO CN1CCO[C@@H](C[N@H+](C)Cc2ccc(F)c(F)c2O)C1 ZINC000709422031 755218311 /nfs/dbraw/zinc/21/83/11/755218311.db2.gz KEMYMAJNUHJNPC-LLVKDONJSA-N 1 2 286.322 1.433 10 10 CDCELO CN1CCO[C@@H](C[N@@H+](C)Cc2ccc(F)c(F)c2O)C1 ZINC000709422031 755218319 /nfs/dbraw/zinc/21/83/19/755218319.db2.gz KEMYMAJNUHJNPC-LLVKDONJSA-N 1 2 286.322 1.433 10 10 CDCELO CCON(C)C(=O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000846062374 755468289 /nfs/dbraw/zinc/46/82/89/755468289.db2.gz GCBQWDVZAKGNOJ-UHFFFAOYSA-N 1 2 290.722 1.684 10 10 CDCELO CN(C)c1ccc(/C=C\C[N@@H+]2CCn3cnnc3C2)cc1 ZINC000835028588 755675089 /nfs/dbraw/zinc/67/50/89/755675089.db2.gz MISLUYUXJUEPBU-ARJAWSKDSA-N 1 2 283.379 1.873 10 10 CDCELO CN(C)c1ccc(/C=C\C[N@H+]2CCn3cnnc3C2)cc1 ZINC000835028588 755675091 /nfs/dbraw/zinc/67/50/91/755675091.db2.gz MISLUYUXJUEPBU-ARJAWSKDSA-N 1 2 283.379 1.873 10 10 CDCELO Cc1cccc(C[NH+]2CC3(C2)CN(C)C(=O)O3)c1O ZINC000817415871 755727862 /nfs/dbraw/zinc/72/78/62/755727862.db2.gz GQZQCBVAAZDVHK-UHFFFAOYSA-N 1 2 262.309 1.337 10 10 CDCELO CNC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000817415411 756224011 /nfs/dbraw/zinc/22/40/11/756224011.db2.gz SLSMOERNMSQOKJ-MRVPVSSYSA-N 1 2 286.734 1.753 10 10 CDCELO CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000817415411 756224022 /nfs/dbraw/zinc/22/40/22/756224022.db2.gz SLSMOERNMSQOKJ-MRVPVSSYSA-N 1 2 286.734 1.753 10 10 CDCELO O[C@@H](CNc1ccccc1OCCF)C[NH+]1CCOCC1 ZINC000819489073 756876188 /nfs/dbraw/zinc/87/61/88/756876188.db2.gz QUPYRNKZXPMYSV-ZDUSSCGKSA-N 1 2 298.358 1.140 10 10 CDCELO COC(=O)CC[C@H](C(=O)OC)[N@H+](C)Cc1ccccc1O ZINC000851840405 756957549 /nfs/dbraw/zinc/95/75/49/756957549.db2.gz FXVJURUQYTXNDV-GFCCVEGCSA-N 1 2 295.335 1.319 10 10 CDCELO COC(=O)CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccccc1O ZINC000851840405 756957561 /nfs/dbraw/zinc/95/75/61/756957561.db2.gz FXVJURUQYTXNDV-GFCCVEGCSA-N 1 2 295.335 1.319 10 10 CDCELO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(F)cc(F)c1O ZINC000846193188 757167425 /nfs/dbraw/zinc/16/74/25/757167425.db2.gz KNLZKLUZHBABQG-XPTSAGLGSA-N 1 2 287.306 1.863 10 10 CDCELO COC[C@@](C)(CO)[NH2+]Cc1cccc(Cl)c1O ZINC000716817643 757805638 /nfs/dbraw/zinc/80/56/38/757805638.db2.gz YDHQLUIJRPYJRJ-GFCCVEGCSA-N 1 2 259.733 1.533 10 10 CDCELO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000281655182 288842221 /nfs/dbraw/zinc/84/22/21/288842221.db2.gz BYGYUGOGWZXOQL-GZMMTYOYSA-N 1 2 268.744 1.802 10 10 CDCELO C[C@H]1C[NH+](CC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000022154704 171361764 /nfs/dbraw/zinc/36/17/64/171361764.db2.gz ABSRKGORDOFUHJ-QWRGUYRKSA-N 1 2 263.341 1.317 10 10 CDCELO COC(=O)[C@@H]([NH2+][C@H](C)c1ccc(O)cc1O)C(C)C ZINC000035346493 172138284 /nfs/dbraw/zinc/13/82/84/172138284.db2.gz JOGXBZPKNURQLV-RNCFNFMXSA-N 1 2 267.325 1.946 10 10 CDCELO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cnn(C)n2)c1 ZINC000806167432 617308671 /nfs/dbraw/zinc/30/86/71/617308671.db2.gz 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CDCELO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000775735538 924946773 /nfs/dbraw/zinc/94/67/73/924946773.db2.gz RKBBPQMSNOXFIV-AOOOYVTPSA-N 1 2 275.707 1.112 10 10 CDCELO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000775735538 924946779 /nfs/dbraw/zinc/94/67/79/924946779.db2.gz RKBBPQMSNOXFIV-AOOOYVTPSA-N 1 2 275.707 1.112 10 10 CDCELO Oc1cc2c(cc1C[N@@H+]1CCc3nccnc3C1)[C@H](O)CO2 ZINC000853605761 928056887 /nfs/dbraw/zinc/05/68/87/928056887.db2.gz HNDKQAIAXIQHLI-OAHLLOKOSA-N 1 2 299.330 1.166 10 10 CDCELO Oc1cc2c(cc1C[N@H+]1CCc3nccnc3C1)[C@H](O)CO2 ZINC000853605761 928056900 /nfs/dbraw/zinc/05/69/00/928056900.db2.gz HNDKQAIAXIQHLI-OAHLLOKOSA-N 1 2 299.330 1.166 10 10 CDCELO O=C1NCC2(C[NH+](Cc3ccc4ccccc4c3O)C2)O1 ZINC000817418476 930532402 /nfs/dbraw/zinc/53/24/02/930532402.db2.gz SAZOBKXLJUXOEC-UHFFFAOYSA-N 1 2 284.315 1.840 10 10 CDCELO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1c(O)cccc1F ZINC000928706813 933174476 /nfs/dbraw/zinc/17/44/76/933174476.db2.gz VMMMZGDGZYBNCY-SECBINFHSA-N 1 2 277.299 1.749 10 10 CDCELO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1c(O)cccc1F ZINC000928706813 933174477 /nfs/dbraw/zinc/17/44/77/933174477.db2.gz VMMMZGDGZYBNCY-SECBINFHSA-N 1 2 277.299 1.749 10 10 CDCELO COc1cccc(C[N@@H+]2CCO[C@@H](C(F)F)C2)c1O ZINC000802654405 936055207 /nfs/dbraw/zinc/05/52/07/936055207.db2.gz XDGQUDDRRZCFAJ-LLVKDONJSA-N 1 2 273.279 1.867 10 10 CDCELO COc1cccc(C[N@H+]2CCO[C@@H](C(F)F)C2)c1O ZINC000802654405 936055210 /nfs/dbraw/zinc/05/52/10/936055210.db2.gz XDGQUDDRRZCFAJ-LLVKDONJSA-N 1 2 273.279 1.867 10 10 CDCELO Cc1cn(C(C)(C)C(=O)NCc2cc(O)ccc2O)c[nH+]1 ZINC001471661745 970458236 /nfs/dbraw/zinc/45/82/36/970458236.db2.gz AHNDFBHVSDTEJR-UHFFFAOYSA-N 1 2 289.335 1.654 10 10 CDCELO COc1cc(C[N@@H+]2CCN(C3CC3)C(=O)C2)c(O)cc1C ZINC000768465171 576287253 /nfs/dbraw/zinc/28/72/53/576287253.db2.gz YDBWENFWJJNDRB-UHFFFAOYSA-N 1 2 290.363 1.516 10 10 CDCELO COc1cc(C[N@H+]2CCN(C3CC3)C(=O)C2)c(O)cc1C ZINC000768465171 576287255 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C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3[O-])C[C@]2(C)C1 ZINC000702405273 784946494 /nfs/dbraw/zinc/94/64/94/784946494.db2.gz MHDXRQCFGSWDPG-DOMZBBRYSA-N 1 2 264.344 1.915 10 10 CDCELO C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3[O-])C[C@]2(C)C1 ZINC000702405273 784946507 /nfs/dbraw/zinc/94/65/07/784946507.db2.gz MHDXRQCFGSWDPG-DOMZBBRYSA-N 1 2 264.344 1.915 10 10 CDCELO C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(F)c3[O-])C[C@]2(C)C1 ZINC000702405273 784946528 /nfs/dbraw/zinc/94/65/28/784946528.db2.gz MHDXRQCFGSWDPG-DOMZBBRYSA-N 1 2 264.344 1.915 10 10 CDCELO C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@]2(C)C1 ZINC000702405273 784946548 /nfs/dbraw/zinc/94/65/48/784946548.db2.gz MHDXRQCFGSWDPG-DOMZBBRYSA-N 1 2 264.344 1.915 10 10 CDCELO C[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC(=O)N1C ZINC000835049979 785174925 /nfs/dbraw/zinc/17/49/25/785174925.db2.gz OJAYLBHYSDXHJM-GEXIGZQTSA-N 1 2 287.407 1.928 10 10 CDCELO C[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC(=O)N1C ZINC000835049979 785174937 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ZINC000835049905 936714874 /nfs/dbraw/zinc/71/48/74/936714874.db2.gz NQQFDNYRNPHYOI-AATRIKPKSA-N 1 2 287.407 1.976 10 10 CDCELO CN(C)c1ccc(/C=C/C[N@H+]2CC(=O)NCC2(C)C)cc1 ZINC000835049905 936714875 /nfs/dbraw/zinc/71/48/75/936714875.db2.gz NQQFDNYRNPHYOI-AATRIKPKSA-N 1 2 287.407 1.976 10 10 CDCELO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001141645804 936914311 /nfs/dbraw/zinc/91/43/11/936914311.db2.gz QMAPYIZFQNGNKY-JTQLQIEISA-N 1 2 275.308 1.042 10 10 CDCELO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c(Cl)c1 ZINC000840922499 617835493 /nfs/dbraw/zinc/83/54/93/617835493.db2.gz LBHSMKBWZDUQMX-SNVBAGLBSA-N 1 2 295.770 1.563 10 10 CDCELO Cc1cc(O)c(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c(Cl)c1 ZINC000840922499 617835496 /nfs/dbraw/zinc/83/54/96/617835496.db2.gz LBHSMKBWZDUQMX-SNVBAGLBSA-N 1 2 295.770 1.563 10 10 CDCELO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1c(O)cccc1F ZINC000905150198 626660973 /nfs/dbraw/zinc/66/09/73/626660973.db2.gz ZIALTMITHSFQML-JTQLQIEISA-N 1 2 292.314 1.616 10 10 CDCELO 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299.733 1.394 10 10 CDCELO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H](C(N)=O)O1 ZINC000180726841 329222534 /nfs/dbraw/zinc/22/25/34/329222534.db2.gz OEGOVWMRPDOFTD-KCJUWKMLSA-N 1 2 284.743 1.120 10 10 CDCELO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H](C(N)=O)O1 ZINC000180726841 329222536 /nfs/dbraw/zinc/22/25/36/329222536.db2.gz OEGOVWMRPDOFTD-KCJUWKMLSA-N 1 2 284.743 1.120 10 10 CDCELO COc1cccc(O)c1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000768200872 576264607 /nfs/dbraw/zinc/26/46/07/576264607.db2.gz QEXVUACDWPQKHN-UHFFFAOYSA-N 1 2 280.368 1.747 10 10 CDCELO COc1cccc(O)c1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000768200872 576264608 /nfs/dbraw/zinc/26/46/08/576264608.db2.gz QEXVUACDWPQKHN-UHFFFAOYSA-N 1 2 280.368 1.747 10 10 CDCELO Oc1ccc(F)cc1C[N@@H+]1CCCn2nncc2C1 ZINC000895756609 619829261 /nfs/dbraw/zinc/82/92/61/619829261.db2.gz YRVLRXIXHRJDDO-UHFFFAOYSA-N 1 2 262.288 1.529 10 10 CDCELO Oc1ccc(F)cc1C[N@H+]1CCCn2nncc2C1 ZINC000895756609 619829264 /nfs/dbraw/zinc/82/92/64/619829264.db2.gz YRVLRXIXHRJDDO-UHFFFAOYSA-N 1 2 262.288 1.529 10 10 CDCELO O=C(NCc1c(O)cccc1F)[C@@H]1CCn2c[nH+]cc2C1 ZINC000928707144 620505166 /nfs/dbraw/zinc/50/51/66/620505166.db2.gz BAXSHZFNTKGRPR-SNVBAGLBSA-N 1 2 289.310 1.607 10 10 CDCELO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cccc(F)c1O ZINC000708445567 796502213 /nfs/dbraw/zinc/50/22/13/796502213.db2.gz LLIUDOJALBYZGG-VIFPVBQESA-N 1 2 275.345 1.396 10 10 CDCELO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccc(F)c1O ZINC000708445567 796502215 /nfs/dbraw/zinc/50/22/15/796502215.db2.gz LLIUDOJALBYZGG-VIFPVBQESA-N 1 2 275.345 1.396 10 10 CDCELO Cn1ncc(C[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000708556085 797979486 /nfs/dbraw/zinc/97/94/86/797979486.db2.gz SPXAGYGSGXQZRC-UHFFFAOYSA-N 1 2 254.240 1.089 10 10 CDCELO OC[C@@]1(O)CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000839153669 936906752 /nfs/dbraw/zinc/90/67/52/936906752.db2.gz APETUMAGPDWKHN-CYBMUJFWSA-N 1 2 289.734 1.504 10 10 CDCELO OC[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000839153669 936906754 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CCOc1ccc(N2CC[NH+]([C@H]3CCNC3=O)CC2)cc1 ZINC001324604260 953467725 /nfs/dbraw/zinc/46/77/25/953467725.db2.gz FXMPCZMWDZYFPJ-HNNXBMFYSA-N 1 2 289.379 1.096 10 10 CDCELO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000273429306 299314691 /nfs/dbraw/zinc/31/46/91/299314691.db2.gz VFLKYYKEMUQFQO-WKEGUHRASA-N 1 2 294.229 1.874 10 10 CDCELO C[C@H](O)[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000840978373 617986821 /nfs/dbraw/zinc/98/68/21/617986821.db2.gz NMYHOVYOFNXNPI-YXVLKGNQSA-N 1 2 290.407 1.847 10 10 CDCELO C[C@H](O)[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000840978373 617986827 /nfs/dbraw/zinc/98/68/27/617986827.db2.gz NMYHOVYOFNXNPI-YXVLKGNQSA-N 1 2 290.407 1.847 10 10 CDCELO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001636047335 1166645286 /nfs/dbraw/zinc/64/52/86/1166645286.db2.gz DVWWUIMAAQIZSH-FWEMWIAWSA-N 1 2 285.303 1.049 10 10 CDCELO COCc1n[nH]c(C[NH2+][C@H](C)c2ccc(C)cc2O)n1 ZINC000850513187 812846774 /nfs/dbraw/zinc/84/67/74/812846774.db2.gz FKASAQFFHYLZCL-SNVBAGLBSA-N 1 2 276.340 1.816 10 10 CDCELO NC(=O)C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000862535731 813801723 /nfs/dbraw/zinc/80/17/23/813801723.db2.gz XKDIZYGGYOGZNR-VIFPVBQESA-N 1 2 284.743 1.122 10 10 CDCELO NC(=O)C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000862535731 813801724 /nfs/dbraw/zinc/80/17/24/813801724.db2.gz XKDIZYGGYOGZNR-VIFPVBQESA-N 1 2 284.743 1.122 10 10 CDCELO CC(=O)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446778 814349068 /nfs/dbraw/zinc/34/90/68/814349068.db2.gz CYOVBAOCFVSDHH-ZDUSSCGKSA-N 1 2 281.352 1.485 10 10 CDCELO CC(=O)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446778 814349078 /nfs/dbraw/zinc/34/90/78/814349078.db2.gz CYOVBAOCFVSDHH-ZDUSSCGKSA-N 1 2 281.352 1.485 10 10 CDCELO O=C([C@@H]1CCc2c[nH+]cn2C1)N1Cc2cccc(O)c2C1 ZINC000871204768 817342442 /nfs/dbraw/zinc/34/24/42/817342442.db2.gz KGMPFDONCWZMJF-GFCCVEGCSA-N 1 2 283.331 1.694 10 10 CDCELO Cn1ncc(C[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000389843083 936648828 /nfs/dbraw/zinc/64/88/28/936648828.db2.gz ZHCDZBADZSPGQH-UHFFFAOYSA-N 1 2 252.705 1.464 10 10 CDCELO C[C@H](C(=O)N1Cc2cccc(O)c2C1)n1cc[nH+]c1 ZINC001329665456 956051444 /nfs/dbraw/zinc/05/14/44/956051444.db2.gz BMNXUQHYBMRJDQ-SNVBAGLBSA-N 1 2 257.293 1.692 10 10 CDCELO [NH3+][C@@H](CO)c1ccc(Br)c(F)c1O ZINC000072199095 356653249 /nfs/dbraw/zinc/65/32/49/356653249.db2.gz AQWIEFSGDGJBHG-LURJTMIESA-N 1 2 250.067 1.286 10 10 CDCELO CN1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCC1=O ZINC000293694791 378585064 /nfs/dbraw/zinc/58/50/64/378585064.db2.gz SQZBXZVPYAEROP-VIFPVBQESA-N 1 2 286.734 1.895 10 10 CDCELO COC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000069581349 277194674 /nfs/dbraw/zinc/19/46/74/277194674.db2.gz AAXLNSKAYFASBL-UHFFFAOYSA-N 1 2 266.297 1.911 10 10 CDCELO O=C(NCc1ccccc1O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378110512 329040403 /nfs/dbraw/zinc/04/04/03/329040403.db2.gz RMZDSIBXMOSERP-NSHDSACASA-N 1 2 286.335 1.472 10 10 CDCELO O=C(NCc1ccccc1O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378110512 329040405 /nfs/dbraw/zinc/04/04/05/329040405.db2.gz RMZDSIBXMOSERP-NSHDSACASA-N 1 2 286.335 1.472 10 10 CDCELO O=C(NCc1cc(O)ccc1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001633598833 1166435469 /nfs/dbraw/zinc/43/54/69/1166435469.db2.gz CZIYSRICDLEZST-JTQLQIEISA-N 1 2 287.319 1.173 10 10 CDCELO Cc1cc(O)c(C[NH+]2CCN(CCO)CC2)c(Cl)c1 ZINC000840908642 818011393 /nfs/dbraw/zinc/01/13/93/818011393.db2.gz VGERHNUWCMIDFO-UHFFFAOYSA-N 1 2 284.787 1.464 10 10 CDCELO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cc(F)cc(F)c1O ZINC000858469466 818179620 /nfs/dbraw/zinc/17/96/20/818179620.db2.gz PLEXRVKSGQZTQU-HJIKLVIJSA-N 1 2 287.306 1.861 10 10 CDCELO OCC1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000827474718 818414723 /nfs/dbraw/zinc/41/47/23/818414723.db2.gz KTZFRUXBIXBRGJ-UHFFFAOYSA-N 1 2 289.734 1.361 10 10 CDCELO OCC1(CO)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000827474718 818414735 /nfs/dbraw/zinc/41/47/35/818414735.db2.gz KTZFRUXBIXBRGJ-UHFFFAOYSA-N 1 2 289.734 1.361 10 10 CDCELO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cc(F)cc(F)c1O ZINC000858469464 818958634 /nfs/dbraw/zinc/95/86/34/818958634.db2.gz PLEXRVKSGQZTQU-AQUOVQTQSA-N 1 2 287.306 1.861 10 10 CDCELO CC[N@H+](CC1CN(S(C)(=O)=O)C1)c1ccc(OC)cc1 ZINC000929903910 819272155 /nfs/dbraw/zinc/27/21/55/819272155.db2.gz IJEKCEYQRMWAKX-UHFFFAOYSA-N 1 2 298.408 1.413 10 10 CDCELO CC[N@@H+](CC1CN(S(C)(=O)=O)C1)c1ccc(OC)cc1 ZINC000929903910 819272165 /nfs/dbraw/zinc/27/21/65/819272165.db2.gz IJEKCEYQRMWAKX-UHFFFAOYSA-N 1 2 298.408 1.413 10 10 CDCELO COC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000228353984 820650578 /nfs/dbraw/zinc/65/05/78/820650578.db2.gz XPANPCSWLZSRLI-JTQLQIEISA-N 1 2 284.743 1.976 10 10 CDCELO COC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000228353984 820650617 /nfs/dbraw/zinc/65/06/17/820650617.db2.gz XPANPCSWLZSRLI-JTQLQIEISA-N 1 2 284.743 1.976 10 10 CDCELO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c1O ZINC000862535345 929424081 /nfs/dbraw/zinc/42/40/81/929424081.db2.gz KAMCVITZZAPSDL-LBPRGKRZSA-N 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835363629 /nfs/dbraw/zinc/36/36/29/835363629.db2.gz KPZYFBKYOITLCG-UHFFFAOYSA-N 1 2 284.367 1.975 10 10 CDCELO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(F)cc(F)c1O ZINC001353592223 899801251 /nfs/dbraw/zinc/80/12/51/899801251.db2.gz CJZQUXLJKNDXHK-LXIMFEHMSA-N 1 2 273.304 1.376 10 10 CDCELO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(F)cc(F)c1O ZINC001353592223 899801253 /nfs/dbraw/zinc/80/12/53/899801253.db2.gz CJZQUXLJKNDXHK-LXIMFEHMSA-N 1 2 273.304 1.376 10 10 CDCELO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000703330387 922688759 /nfs/dbraw/zinc/68/87/59/922688759.db2.gz XFQKKVMBMDIMES-SSDOTTSWSA-N 1 2 258.268 1.285 10 10 CDCELO O=C(CCc1c[nH]c[nH+]1)NCc1c(O)cccc1O ZINC001558534556 965310058 /nfs/dbraw/zinc/31/00/58/965310058.db2.gz UQCQTHYESLWBOF-UHFFFAOYSA-N 1 2 261.281 1.070 10 10 CDCELO O=C(CCc1c[nH+]c[nH]1)NCc1c(O)cccc1O ZINC001558534556 965310064 /nfs/dbraw/zinc/31/00/64/965310064.db2.gz UQCQTHYESLWBOF-UHFFFAOYSA-N 1 2 261.281 1.070 10 10 CDCELO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(F)ccc1O ZINC000180150052 329217928 /nfs/dbraw/zinc/21/79/28/329217928.db2.gz QOMRGEQNFAYEAM-NWDGAFQWSA-N 1 2 283.299 1.294 10 10 CDCELO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(F)ccc1O ZINC000180150052 329217929 /nfs/dbraw/zinc/21/79/29/329217929.db2.gz QOMRGEQNFAYEAM-NWDGAFQWSA-N 1 2 283.299 1.294 10 10 CDCELO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708391055 836217513 /nfs/dbraw/zinc/21/75/13/836217513.db2.gz SSCIOKUGQNFXMD-WRWORJQWSA-N 1 2 270.279 1.427 10 10 CDCELO C[C@H](O)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000840977677 836307890 /nfs/dbraw/zinc/30/78/90/836307890.db2.gz IYZPSYYOWCFCLC-ZANVPECISA-N 1 2 271.744 1.627 10 10 CDCELO C[C@H](O)[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000840977677 836307907 /nfs/dbraw/zinc/30/79/07/836307907.db2.gz IYZPSYYOWCFCLC-ZANVPECISA-N 1 2 271.744 1.627 10 10 CDCELO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000862482883 838004942 /nfs/dbraw/zinc/00/49/42/838004942.db2.gz 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ZINC000824626049 931476813 /nfs/dbraw/zinc/47/68/13/931476813.db2.gz UNYFXAJHAOTOSW-MRVPVSSYSA-N 1 2 275.707 1.378 10 10 CDCELO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCOC[C@H](O)C1 ZINC000824626049 931476814 /nfs/dbraw/zinc/47/68/14/931476814.db2.gz UNYFXAJHAOTOSW-MRVPVSSYSA-N 1 2 275.707 1.378 10 10 CDCELO C[C@H](NC(=O)CCc1[nH+]ccn1C)c1ccccc1O ZINC001528713040 968907567 /nfs/dbraw/zinc/90/75/67/968907567.db2.gz ONVDUBYSQWGMCO-NSHDSACASA-N 1 2 273.336 1.936 10 10 CDCELO C[C@H](Cn1cc[nH+]c1)NC(=O)c1c(F)ccc(O)c1O ZINC001457524385 969175598 /nfs/dbraw/zinc/17/55/98/969175598.db2.gz GRKXISDBURTKAX-MRVPVSSYSA-N 1 2 279.271 1.252 10 10 CDCELO COc1cc(O)c(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)cc1OC ZINC000281794289 367687468 /nfs/dbraw/zinc/68/74/68/367687468.db2.gz FSYINXCZJPDYLU-JTQLQIEISA-N 1 2 294.351 1.072 10 10 CDCELO COc1cc(O)c(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)cc1OC ZINC000281794289 367687471 /nfs/dbraw/zinc/68/74/71/367687471.db2.gz FSYINXCZJPDYLU-JTQLQIEISA-N 1 2 294.351 1.072 10 10 CDCELO CC(=O)N1CC[N@H+](Cc2cccc(F)c2O)C(C)(C)C1 ZINC000761215809 576560487 /nfs/dbraw/zinc/56/04/87/576560487.db2.gz UZUKMHQGHGWSQN-UHFFFAOYSA-N 1 2 280.343 1.974 10 10 CDCELO CC(=O)N1CC[N@@H+](Cc2cccc(F)c2O)C(C)(C)C1 ZINC000761215809 576560488 /nfs/dbraw/zinc/56/04/88/576560488.db2.gz UZUKMHQGHGWSQN-UHFFFAOYSA-N 1 2 280.343 1.974 10 10 CDCELO CN(C)c1ccc(/C=C\C[N@@H+]2CCc3n[nH]nc3C2)cc1 ZINC000827877156 936611979 /nfs/dbraw/zinc/61/19/79/936611979.db2.gz JBXWEBFRLVDPJO-ARJAWSKDSA-N 1 2 283.379 1.942 10 10 CDCELO CN(C)c1ccc(/C=C\C[N@H+]2CCc3n[nH]nc3C2)cc1 ZINC000827877156 936611981 /nfs/dbraw/zinc/61/19/81/936611981.db2.gz JBXWEBFRLVDPJO-ARJAWSKDSA-N 1 2 283.379 1.942 10 10 CDCELO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000775402220 922125212 /nfs/dbraw/zinc/12/52/12/922125212.db2.gz ASFNRVCKGKBNSY-LBPRGKRZSA-N 1 2 272.352 1.827 10 10 CDCELO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840912528 936967602 /nfs/dbraw/zinc/96/76/02/936967602.db2.gz ISRBJQQHTNGNDP-LBPRGKRZSA-N 1 2 284.743 1.040 10 10 CDCELO Cc1cc(O)c(C[N@H+]2CCO[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840912528 936967603 /nfs/dbraw/zinc/96/76/03/936967603.db2.gz ISRBJQQHTNGNDP-LBPRGKRZSA-N 1 2 284.743 1.040 10 10 CDCELO CC[N@H+](Cc1cccc(F)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000272215771 371092210 /nfs/dbraw/zinc/09/22/10/371092210.db2.gz BEFNFHSVDXQJDK-NSHDSACASA-N 1 2 287.356 1.540 10 10 CDCELO CC[N@@H+](Cc1cccc(F)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000272215771 371092216 /nfs/dbraw/zinc/09/22/16/371092216.db2.gz BEFNFHSVDXQJDK-NSHDSACASA-N 1 2 287.356 1.540 10 10 CDCELO NC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775745582 617582046 /nfs/dbraw/zinc/58/20/46/617582046.db2.gz YBUMHESSEXQUPK-VIFPVBQESA-N 1 2 287.722 1.427 10 10 CDCELO NC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775745582 617582047 /nfs/dbraw/zinc/58/20/47/617582047.db2.gz YBUMHESSEXQUPK-VIFPVBQESA-N 1 2 287.722 1.427 10 10 CDCELO C[C@@H]1C[NH+](CC(=O)Nc2ccc(N)cc2)C[C@@H](C)O1 ZINC000022154697 171361716 /nfs/dbraw/zinc/36/17/16/171361716.db2.gz ABSRKGORDOFUHJ-GHMZBOCLSA-N 1 2 263.341 1.317 10 10 CDCELO COC(=O)[C@@H]([NH2+]Cc1cc(OC)ccc1O)C(C)C ZINC000035346163 172138872 /nfs/dbraw/zinc/13/88/72/172138872.db2.gz DVDNTCAUWPKOEY-ZDUSSCGKSA-N 1 2 267.325 1.688 10 10 CDCELO COC(=O)[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1O)C(C)C ZINC000035346466 172139113 /nfs/dbraw/zinc/13/91/13/172139113.db2.gz AYBFFAXEBRNZQE-ZANVPECISA-N 1 2 267.325 1.946 10 10 CDCELO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(Cl)c1O ZINC000180234511 329218713 /nfs/dbraw/zinc/21/87/13/329218713.db2.gz XIQSIJCCYVCQLY-PWSUYJOCSA-N 1 2 299.754 1.808 10 10 CDCELO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000180234511 329218714 /nfs/dbraw/zinc/21/87/14/329218714.db2.gz XIQSIJCCYVCQLY-PWSUYJOCSA-N 1 2 299.754 1.808 10 10 CDCELO CC(=O)c1cn(C2C[NH+](Cc3cc(C)ccc3O)C2)nn1 ZINC000897937124 621234738 /nfs/dbraw/zinc/23/47/38/621234738.db2.gz IKLUMGFHHAKALS-UHFFFAOYSA-N 1 2 286.335 1.552 10 10 CDCELO Nc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000846661685 677926467 /nfs/dbraw/zinc/92/64/67/677926467.db2.gz FEIASNICFLILIW-UHFFFAOYSA-N 1 2 270.336 1.983 10 10 CDCELO CC(C)N1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2O)C1=O ZINC000703330707 677874697 /nfs/dbraw/zinc/87/46/97/677874697.db2.gz YJPRIJJLQFLXBA-LLVKDONJSA-N 1 2 284.306 1.769 10 10 CDCELO O=C(CCCn1cc[nH+]c1)N1Cc2cccc(O)c2C1 ZINC000871201389 679390076 /nfs/dbraw/zinc/39/00/76/679390076.db2.gz VGDNVLURWQSRJW-UHFFFAOYSA-N 1 2 271.320 1.911 10 10 CDCELO Cn1ncc(C[NH2+]Cc2c(O)cccc2Br)n1 ZINC000706854165 1158764942 /nfs/dbraw/zinc/76/49/42/1158764942.db2.gz RIMXQBADNWKJOE-UHFFFAOYSA-N 1 2 297.156 1.573 10 10 CDCELO O=C(NCc1[nH]c2c([nH+]1)CCCC2)C1=CC(=O)CS1 ZINC001645368900 1167397705 /nfs/dbraw/zinc/39/77/05/1167397705.db2.gz ZHDSMBBKXHZLSI-UHFFFAOYSA-N 1 2 277.349 1.986 10 10 CDCELO CN(C)c1cc[nH+]c(NC(=O)c2cccc(O)c2O)c1 ZINC001597487088 1174276797 /nfs/dbraw/zinc/27/67/97/1174276797.db2.gz PTARDQQGURHFIF-UHFFFAOYSA-N 1 2 273.292 1.811 10 10 CDCELO COCc1n[nH]c(C[NH2+][C@H](C)c2cccc(OC)c2O)n1 ZINC001330318185 956375261 /nfs/dbraw/zinc/37/52/61/956375261.db2.gz JLKUFYKMEFCPAW-SECBINFHSA-N 1 2 292.339 1.516 10 10 CDCELO CN1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CCC1=O ZINC000124836162 374853891 /nfs/dbraw/zinc/85/38/91/374853891.db2.gz KONAEWMPGSXXBO-SNVBAGLBSA-N 1 2 268.744 1.756 10 10 CDCELO COC(=O)C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000295239683 378663229 /nfs/dbraw/zinc/66/32/29/378663229.db2.gz DRUAJMMTGIPURO-UHFFFAOYSA-N 1 2 261.680 1.790 10 10 CDCELO COC(=O)C[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000295239683 378663234 /nfs/dbraw/zinc/66/32/34/378663234.db2.gz DRUAJMMTGIPURO-UHFFFAOYSA-N 1 2 261.680 1.790 10 10 CDCELO O=C(NCc1ccccc1O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378110508 329040258 /nfs/dbraw/zinc/04/02/58/329040258.db2.gz RMZDSIBXMOSERP-LLVKDONJSA-N 1 2 286.335 1.472 10 10 CDCELO O=C(NCc1ccccc1O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378110508 329040260 /nfs/dbraw/zinc/04/02/60/329040260.db2.gz RMZDSIBXMOSERP-LLVKDONJSA-N 1 2 286.335 1.472 10 10 CDCELO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(F)cc(F)c1O ZINC000756594897 576997229 /nfs/dbraw/zinc/99/72/29/576997229.db2.gz PZYHIRGLDDSXDS-WCBMZHEXSA-N 1 2 284.306 1.942 10 10 CDCELO CCN1CC[N@H+](Cc2cc3c(cc2O)CCC3)CC1=O ZINC000758277167 577093492 /nfs/dbraw/zinc/09/34/92/577093492.db2.gz OXIHVGHIBFJLKW-UHFFFAOYSA-N 1 2 274.364 1.545 10 10 CDCELO CCN1CC[N@@H+](Cc2cc3c(cc2O)CCC3)CC1=O ZINC000758277167 577093496 /nfs/dbraw/zinc/09/34/96/577093496.db2.gz OXIHVGHIBFJLKW-UHFFFAOYSA-N 1 2 274.364 1.545 10 10 CDCELO CCO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C[NH+](C)C ZINC000922757191 679797735 /nfs/dbraw/zinc/79/77/35/679797735.db2.gz RTHCKXCKOWRQLP-CYBMUJFWSA-N 1 2 297.355 1.357 10 10 CDCELO OC[C@]1(O)CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000839159745 683049629 /nfs/dbraw/zinc/04/96/29/683049629.db2.gz PCBMGQXAUBNEIM-ZDUSSCGKSA-N 1 2 289.734 1.504 10 10 CDCELO OC[C@]1(O)CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000839159745 683049632 /nfs/dbraw/zinc/04/96/32/683049632.db2.gz PCBMGQXAUBNEIM-ZDUSSCGKSA-N 1 2 289.734 1.504 10 10 CDCELO CN(C)c1ccc(CN(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)cc1 ZINC000864633318 683969047 /nfs/dbraw/zinc/96/90/47/683969047.db2.gz FVAIGKMTYKVBTN-CQSZACIVSA-N 1 2 288.351 1.168 10 10 CDCELO COc1ccc(C[NH2+][C@@H](C)c2nnnn2C)cc1C ZINC001648540917 1169138280 /nfs/dbraw/zinc/13/82/80/1169138280.db2.gz HLEHVEMOCRYBIA-JTQLQIEISA-N 1 2 261.329 1.378 10 10 CDCELO CCON(CC)C(=O)C[NH2+]Cc1cccc(Cl)c1O ZINC000862452371 929416825 /nfs/dbraw/zinc/41/68/25/929416825.db2.gz KBIXKTBWLLSCDJ-UHFFFAOYSA-N 1 2 286.759 1.935 10 10 CDCELO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1O ZINC000703310920 687552781 /nfs/dbraw/zinc/55/27/81/687552781.db2.gz ZNWREDUDHQZNCO-JTQLQIEISA-N 1 2 270.279 1.429 10 10 CDCELO C[C@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC(=O)N1C ZINC000835049980 684611240 /nfs/dbraw/zinc/61/12/40/684611240.db2.gz OJAYLBHYSDXHJM-GJBLVYBDSA-N 1 2 287.407 1.928 10 10 CDCELO C[C@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC(=O)N1C ZINC000835049980 684611244 /nfs/dbraw/zinc/61/12/44/684611244.db2.gz OJAYLBHYSDXHJM-GJBLVYBDSA-N 1 2 287.407 1.928 10 10 CDCELO NC(=O)C1CC([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708437311 684947751 /nfs/dbraw/zinc/94/77/51/684947751.db2.gz QYRZJXBEIGKUNG-UHFFFAOYSA-N 1 2 256.252 1.024 10 10 CDCELO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1=CC(=O)CS1 ZINC000928084371 684970632 /nfs/dbraw/zinc/97/06/32/684970632.db2.gz WVSKPJBGMPIZSF-GHMZBOCLSA-N 1 2 298.433 1.763 10 10 CDCELO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C1=CC(=O)CS1 ZINC000928084371 684970648 /nfs/dbraw/zinc/97/06/48/684970648.db2.gz WVSKPJBGMPIZSF-GHMZBOCLSA-N 1 2 298.433 1.763 10 10 CDCELO COCc1n[nH]c(C[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000850361321 685944130 /nfs/dbraw/zinc/94/41/30/685944130.db2.gz YIEDRSVGFMOMDX-UHFFFAOYSA-N 1 2 282.731 1.600 10 10 CDCELO CC1(CO)C[NH+](Cc2ccc(Br)cc2O)C1 ZINC000826113039 686781580 /nfs/dbraw/zinc/78/15/80/686781580.db2.gz FZUNKABRPLEGOK-UHFFFAOYSA-N 1 2 286.169 1.969 10 10 CDCELO O=C1NCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826770698 688011799 /nfs/dbraw/zinc/01/17/99/688011799.db2.gz ZLRKHWHPBSPWCH-VIFPVBQESA-N 1 2 258.680 1.163 10 10 CDCELO O=C(NCc1ccccc1O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375423732 370824469 /nfs/dbraw/zinc/82/44/69/370824469.db2.gz WUUIHFRRDDQIBD-VIFPVBQESA-N 1 2 256.252 1.006 10 10 CDCELO C[N@H+](CC(=O)NC1CC1)Cc1cc(Cl)c(F)cc1O ZINC000294963253 371109977 /nfs/dbraw/zinc/10/99/77/371109977.db2.gz QXMPKKNWBCXNFL-UHFFFAOYSA-N 1 2 286.734 1.895 10 10 CDCELO C[N@@H+](CC(=O)NC1CC1)Cc1cc(Cl)c(F)cc1O ZINC000294963253 371109983 /nfs/dbraw/zinc/10/99/83/371109983.db2.gz QXMPKKNWBCXNFL-UHFFFAOYSA-N 1 2 286.734 1.895 10 10 CDCELO [NH3+][C@@H](CO)c1cc(F)cc(Br)c1O ZINC000072199097 303449519 /nfs/dbraw/zinc/44/95/19/303449519.db2.gz YLBCILHVFHWKSV-ZETCQYMHSA-N 1 2 250.067 1.286 10 10 CDCELO Cc1nc([C@H]2C[N@H+](Cc3cccc(C)c3O)CCO2)n[nH]1 ZINC000180612220 329221327 /nfs/dbraw/zinc/22/13/27/329221327.db2.gz VZWRIUUWTXEFCD-CYBMUJFWSA-N 1 2 288.351 1.701 10 10 CDCELO Cc1nc([C@H]2C[N@@H+](Cc3cccc(C)c3O)CCO2)n[nH]1 ZINC000180612220 329221328 /nfs/dbraw/zinc/22/13/28/329221328.db2.gz VZWRIUUWTXEFCD-CYBMUJFWSA-N 1 2 288.351 1.701 10 10 CDCELO O=C1C[C@@]2(CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)CN1 ZINC000894592972 618985724 /nfs/dbraw/zinc/98/57/24/618985724.db2.gz NKAGTJFAMQRDCY-AWEZNQCLSA-N 1 2 282.290 1.382 10 10 CDCELO O=C1C[C@@]2(CC[N@H+](Cc3cc(F)cc(F)c3O)C2)CN1 ZINC000894592972 618985725 /nfs/dbraw/zinc/98/57/25/618985725.db2.gz NKAGTJFAMQRDCY-AWEZNQCLSA-N 1 2 282.290 1.382 10 10 CDCELO CN1CCOC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000704041465 692230780 /nfs/dbraw/zinc/23/07/80/692230780.db2.gz XUGNZKVSPSNFIA-NSHDSACASA-N 1 2 270.760 1.466 10 10 CDCELO O=C(CCc1[nH]cc[nH+]1)N1Cc2cccc(O)c2C1 ZINC000871203767 692676283 /nfs/dbraw/zinc/67/62/83/692676283.db2.gz GILWEFMHWZIYCQ-UHFFFAOYSA-N 1 2 257.293 1.590 10 10 CDCELO O=C(Cn1cc[nH+]c1)NCc1cc(Cl)ccc1O ZINC000857547632 693010517 /nfs/dbraw/zinc/01/05/17/693010517.db2.gz NFDYYBYVEPEHLR-UHFFFAOYSA-N 1 2 265.700 1.559 10 10 CDCELO C[C@H]1CN(C)C(=O)C[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835046698 693280198 /nfs/dbraw/zinc/28/01/98/693280198.db2.gz ZCBRPQQUGBKPLC-GJBLVYBDSA-N 1 2 287.407 1.928 10 10 CDCELO C[C@H]1CN(C)C(=O)C[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835046698 693280207 /nfs/dbraw/zinc/28/02/07/693280207.db2.gz ZCBRPQQUGBKPLC-GJBLVYBDSA-N 1 2 287.407 1.928 10 10 CDCELO C[C@H](O)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000840978110 693381702 /nfs/dbraw/zinc/38/17/02/693381702.db2.gz LBWFLKWTSAZNDP-ZANVPECISA-N 1 2 255.289 1.113 10 10 CDCELO C[C@H](O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000840978110 693381709 /nfs/dbraw/zinc/38/17/09/693381709.db2.gz LBWFLKWTSAZNDP-ZANVPECISA-N 1 2 255.289 1.113 10 10 CDCELO Cc1cc(Br)c(O)c(C[N@H+](C)CC(N)=O)c1 ZINC000781896423 693386903 /nfs/dbraw/zinc/38/69/03/693386903.db2.gz KSGZXZDEVPWQKK-UHFFFAOYSA-N 1 2 287.157 1.380 10 10 CDCELO Cc1cc(Br)c(O)c(C[N@@H+](C)CC(N)=O)c1 ZINC000781896423 693386907 /nfs/dbraw/zinc/38/69/07/693386907.db2.gz KSGZXZDEVPWQKK-UHFFFAOYSA-N 1 2 287.157 1.380 10 10 CDCELO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1c(O)cccc1F ZINC000928706814 694808651 /nfs/dbraw/zinc/80/86/51/694808651.db2.gz VMMMZGDGZYBNCY-VIFPVBQESA-N 1 2 277.299 1.749 10 10 CDCELO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1c(O)cccc1F ZINC000928706814 694808652 /nfs/dbraw/zinc/80/86/52/694808652.db2.gz VMMMZGDGZYBNCY-VIFPVBQESA-N 1 2 277.299 1.749 10 10 CDCELO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001636047336 1166645240 /nfs/dbraw/zinc/64/52/40/1166645240.db2.gz DVWWUIMAAQIZSH-JRBALWBOSA-N 1 2 285.303 1.049 10 10 CDCELO NC(=O)N=Nc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC001586300315 1172940498 /nfs/dbraw/zinc/94/04/98/1172940498.db2.gz HRWIQYPQPQJHGR-UHFFFAOYSA-N 1 2 298.306 1.743 10 10 CDCELO Cc1nc(NCc2ccc(N(C)C)c(F)c2)nc(N)[nH+]1 ZINC000865481891 723085072 /nfs/dbraw/zinc/08/50/72/723085072.db2.gz XVGVUGZCPLRDQL-UHFFFAOYSA-N 1 2 276.319 1.579 10 10 CDCELO Cc1nc(N)nc(NCc2ccc(N(C)C)c(F)c2)[nH+]1 ZINC000865481891 723085077 /nfs/dbraw/zinc/08/50/77/723085077.db2.gz XVGVUGZCPLRDQL-UHFFFAOYSA-N 1 2 276.319 1.579 10 10 CDCELO Cc1cc(O)c(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)cc1Cl ZINC000826123437 1166412785 /nfs/dbraw/zinc/41/27/85/1166412785.db2.gz NPSMIETZGGRGNT-YGRLFVJLSA-N 1 2 285.771 1.936 10 10 CDCELO Cc1cc(O)c(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)cc1Cl ZINC000826123437 1166412789 /nfs/dbraw/zinc/41/27/89/1166412789.db2.gz NPSMIETZGGRGNT-YGRLFVJLSA-N 1 2 285.771 1.936 10 10 CDCELO Cn1cc(C[NH2+]Cc2cccc(Cl)c2O)nn1 ZINC000389827804 936648541 /nfs/dbraw/zinc/64/85/41/936648541.db2.gz UEQFTNKSDXHNHX-UHFFFAOYSA-N 1 2 252.705 1.464 10 10 CDCELO Cc1[nH]c(CNC(=O)Cc2ccc(O)c(O)c2)[nH+]c1C ZINC001137260469 931397616 /nfs/dbraw/zinc/39/76/16/931397616.db2.gz GSVRNGYWAIUUSK-UHFFFAOYSA-N 1 2 275.308 1.297 10 10 CDCELO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2nnnn2C)c1O ZINC001560203066 960885758 /nfs/dbraw/zinc/88/57/58/960885758.db2.gz MXXPAHVVXVXPKJ-SSDOTTSWSA-N 1 2 293.302 1.108 10 10 CDCELO CO[C@@](C)(CO)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000848922238 969353703 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Cc1cc(O)c(C[N@H+]2CCN(CCO)[C@H](C)C2)cc1Cl ZINC000825567660 1164724744 /nfs/dbraw/zinc/72/47/44/1164724744.db2.gz LTXIMPRDKCZNTF-GFCCVEGCSA-N 1 2 298.814 1.852 10 10 CDCELO COC(=O)c1cc(OCc2c[nH+]cn2C)ccc1N(C)C ZINC000871793518 1165347818 /nfs/dbraw/zinc/34/78/18/1165347818.db2.gz UHYOWSSTPBETGA-UHFFFAOYSA-N 1 2 289.335 1.852 10 10 CDCELO O=C(/C=C/C[NH+]1CCOCC1)NCc1c(O)cccc1F ZINC000928705705 724423426 /nfs/dbraw/zinc/42/34/26/724423426.db2.gz LFRCSDSOUAMASE-GORDUTHDSA-N 1 2 294.326 1.036 10 10 CDCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC=C[C@@H]2CO)c1O ZINC000880485007 723831642 /nfs/dbraw/zinc/83/16/42/723831642.db2.gz AGYMTRCIGICUCJ-GFCCVEGCSA-N 1 2 281.739 1.981 10 10 CDCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CC=C[C@@H]2CO)c1O ZINC000880485007 723831643 /nfs/dbraw/zinc/83/16/43/723831643.db2.gz AGYMTRCIGICUCJ-GFCCVEGCSA-N 1 2 281.739 1.981 10 10 CDCELO OCCN1CCCC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000824583073 724137679 /nfs/dbraw/zinc/13/76/79/724137679.db2.gz HRRLPWHZUIUNRZ-ZDUSSCGKSA-N 1 2 298.814 1.982 10 10 CDCELO O=C(C1=CC(=O)CS1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834591526 725333083 /nfs/dbraw/zinc/33/30/83/725333083.db2.gz AGPRAAXRUTYWMH-QWRGUYRKSA-N 1 2 284.356 1.712 10 10 CDCELO COCc1n[nH]c(C[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000850516473 725993798 /nfs/dbraw/zinc/99/37/98/725993798.db2.gz LSDMOMJGOHUUBV-JTQLQIEISA-N 1 2 274.324 1.434 10 10 CDCELO CCn1cc[nH+]c1CNC(=O)NCc1ccccc1O ZINC000298478419 372139332 /nfs/dbraw/zinc/13/93/32/372139332.db2.gz PNNDNUZVFXBUPO-UHFFFAOYSA-N 1 2 274.324 1.608 10 10 CDCELO Cc1nc([C@@H]2C[N@H+](Cc3cc(C)ccc3O)CCO2)n[nH]1 ZINC000180116487 329211871 /nfs/dbraw/zinc/21/18/71/329211871.db2.gz GGVTVYMMIRUMPS-AWEZNQCLSA-N 1 2 288.351 1.701 10 10 CDCELO Cc1nc([C@@H]2C[N@@H+](Cc3cc(C)ccc3O)CCO2)n[nH]1 ZINC000180116487 329211872 /nfs/dbraw/zinc/21/18/72/329211872.db2.gz GGVTVYMMIRUMPS-AWEZNQCLSA-N 1 2 288.351 1.701 10 10 CDCELO COc1ncnc2c1C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC000180037181 329214807 /nfs/dbraw/zinc/21/48/07/329214807.db2.gz 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/nfs/dbraw/zinc/01/34/69/726013469.db2.gz ATCJMJOUIQZKJW-CQSZACIVSA-N 1 2 291.326 1.629 10 10 CDCELO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000180117177 726013470 /nfs/dbraw/zinc/01/34/70/726013470.db2.gz ATCJMJOUIQZKJW-CQSZACIVSA-N 1 2 291.326 1.629 10 10 CDCELO CN(C)c1cc(F)c(C[N@@H+]2CCOC[C@H](O)C2)cc1F ZINC000862383030 726827502 /nfs/dbraw/zinc/82/75/02/726827502.db2.gz IAYMMDZNMLLOSI-LLVKDONJSA-N 1 2 286.322 1.224 10 10 CDCELO CN(C)c1cc(F)c(C[N@H+]2CCOC[C@H](O)C2)cc1F ZINC000862383030 726827504 /nfs/dbraw/zinc/82/75/04/726827504.db2.gz IAYMMDZNMLLOSI-LLVKDONJSA-N 1 2 286.322 1.224 10 10 CDCELO COC(=O)CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccccc1O ZINC000851840406 727350065 /nfs/dbraw/zinc/35/00/65/727350065.db2.gz FXVJURUQYTXNDV-LBPRGKRZSA-N 1 2 295.335 1.319 10 10 CDCELO COC(=O)CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccccc1O ZINC000851840406 727350067 /nfs/dbraw/zinc/35/00/67/727350067.db2.gz FXVJURUQYTXNDV-LBPRGKRZSA-N 1 2 295.335 1.319 10 10 CDCELO C[NH+](C)[C@@H]1CCN(Cc2ccc(F)c(F)c2O)C1 ZINC000703565349 727801780 /nfs/dbraw/zinc/80/17/80/727801780.db2.gz SIDXMCUPUVXJPU-SNVBAGLBSA-N 1 2 256.296 1.806 10 10 CDCELO O=C(CCn1cc[nH+]c1)NCc1cccc(Cl)c1O ZINC001637227163 1166739997 /nfs/dbraw/zinc/73/99/97/1166739997.db2.gz PVDZDXGFGLGOSS-UHFFFAOYSA-N 1 2 279.727 1.949 10 10 CDCELO COCc1n[nH]c(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000850513371 927438538 /nfs/dbraw/zinc/43/85/38/927438538.db2.gz GVZFZNNYYNTVFI-SECBINFHSA-N 1 2 262.313 1.508 10 10 CDCELO Cc1[nH+]ccn1CCNC(=O)c1c(F)ccc(O)c1O ZINC001650746793 1171253549 /nfs/dbraw/zinc/25/35/49/1171253549.db2.gz KSXIYUVFYJWYLQ-UHFFFAOYSA-N 1 2 279.271 1.172 10 10 CDCELO [NH3+][C@@H](CO)c1c(O)c(F)ccc1Br ZINC000072199093 357532976 /nfs/dbraw/zinc/53/29/76/357532976.db2.gz DIHVOJALRRXLRU-LURJTMIESA-N 1 2 250.067 1.286 10 10 CDCELO CN1CCc2cc(C[NH2+]Cc3csnn3)ccc21 ZINC000373525767 327693559 /nfs/dbraw/zinc/69/35/59/327693559.db2.gz FRCVBCSUUVNBEJ-UHFFFAOYSA-N 1 2 260.366 1.820 10 10 CDCELO O=C1CC[C@H](C[NH2+]Cc2cccc(Br)c2O)N1 ZINC000079927004 538838600 /nfs/dbraw/zinc/83/86/00/538838600.db2.gz YFLGJONZROSLCU-SECBINFHSA-N 1 2 299.168 1.523 10 10 CDCELO O=S1(=O)CCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1O ZINC000703394107 729210842 /nfs/dbraw/zinc/21/08/42/729210842.db2.gz FMFUSYBIBPCKPV-VIFPVBQESA-N 1 2 291.319 1.337 10 10 CDCELO CCc1nnc([C@H]2C[N@H+](Cc3ccccc3O)CCO2)[nH]1 ZINC000129195845 522139365 /nfs/dbraw/zinc/13/93/65/522139365.db2.gz VFGJNBFKORHXKH-CYBMUJFWSA-N 1 2 288.351 1.646 10 10 CDCELO CCc1nnc([C@H]2C[N@@H+](Cc3ccccc3O)CCO2)[nH]1 ZINC000129195845 522139369 /nfs/dbraw/zinc/13/93/69/522139369.db2.gz VFGJNBFKORHXKH-CYBMUJFWSA-N 1 2 288.351 1.646 10 10 CDCELO CCc1nc([C@H]2C[N@H+](Cc3ccccc3O)CCO2)n[nH]1 ZINC000129195845 522139373 /nfs/dbraw/zinc/13/93/73/522139373.db2.gz VFGJNBFKORHXKH-CYBMUJFWSA-N 1 2 288.351 1.646 10 10 CDCELO CCc1nc([C@H]2C[N@@H+](Cc3ccccc3O)CCO2)n[nH]1 ZINC000129195845 522139380 /nfs/dbraw/zinc/13/93/80/522139380.db2.gz VFGJNBFKORHXKH-CYBMUJFWSA-N 1 2 288.351 1.646 10 10 CDCELO O=C1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2O)N1 ZINC000124843571 1175336540 /nfs/dbraw/zinc/33/65/40/1175336540.db2.gz NOZJHKBQDZLUFI-VIFPVBQESA-N 1 2 254.717 1.414 10 10 CDCELO Oc1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895652991 619789894 /nfs/dbraw/zinc/78/98/94/619789894.db2.gz KLUKPIZYZDONDB-MADCSZMMSA-N 1 2 257.692 1.751 10 10 CDCELO Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895652991 619789897 /nfs/dbraw/zinc/78/98/97/619789897.db2.gz KLUKPIZYZDONDB-MADCSZMMSA-N 1 2 257.692 1.751 10 10 CDCELO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001624955148 1165876233 /nfs/dbraw/zinc/87/62/33/1165876233.db2.gz SMLVGMFILHVGBT-VIFPVBQESA-N 1 2 289.335 1.419 10 10 CDCELO CC[C@H]([NH2+][C@H]1CCNC1=O)c1cccc(Cl)c1O ZINC000850480431 732637412 /nfs/dbraw/zinc/63/74/12/732637412.db2.gz AOVKKNSACJRXJY-QWRGUYRKSA-N 1 2 268.744 1.975 10 10 CDCELO CO[C@@](C)(CO)C[NH2+]Cc1cccc(Cl)c1O ZINC000702515503 732907105 /nfs/dbraw/zinc/90/71/05/732907105.db2.gz YEBXIWLUGHFAOU-GFCCVEGCSA-N 1 2 259.733 1.533 10 10 CDCELO CN1CCO[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124810628 360402525 /nfs/dbraw/zinc/40/25/25/360402525.db2.gz KLTUAKSJJODRCB-NSHDSACASA-N 1 2 270.760 1.466 10 10 CDCELO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000022154700 171362047 /nfs/dbraw/zinc/36/20/47/171362047.db2.gz ABSRKGORDOFUHJ-PHIMTYICSA-N 1 2 263.341 1.317 10 10 CDCELO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000022154700 171362049 /nfs/dbraw/zinc/36/20/49/171362049.db2.gz ABSRKGORDOFUHJ-PHIMTYICSA-N 1 2 263.341 1.317 10 10 CDCELO CC(=O)N1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 ZINC000271167018 482833015 /nfs/dbraw/zinc/83/30/15/482833015.db2.gz GAOIDPXARZORCC-GFCCVEGCSA-N 1 2 293.386 1.944 10 10 CDCELO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 ZINC000271167018 482833018 /nfs/dbraw/zinc/83/30/18/482833018.db2.gz GAOIDPXARZORCC-GFCCVEGCSA-N 1 2 293.386 1.944 10 10 CDCELO C[C@@H]1CN(CCO)[C@@H](C)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000841891529 619733723 /nfs/dbraw/zinc/73/37/23/619733723.db2.gz LWCKPEMVKWZQNL-NWDGAFQWSA-N 1 2 298.814 1.933 10 10 CDCELO C[C@@H]1CN(CCO)[C@@H](C)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000841891529 619733728 /nfs/dbraw/zinc/73/37/28/619733728.db2.gz LWCKPEMVKWZQNL-NWDGAFQWSA-N 1 2 298.814 1.933 10 10 CDCELO CC(C)[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)CO ZINC000817417384 733986314 /nfs/dbraw/zinc/98/63/14/733986314.db2.gz DWFMYAQGOWQFPF-NSHDSACASA-N 1 2 291.750 1.748 10 10 CDCELO CC(C)[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)CO ZINC000817417384 733986320 /nfs/dbraw/zinc/98/63/20/733986320.db2.gz DWFMYAQGOWQFPF-NSHDSACASA-N 1 2 291.750 1.748 10 10 CDCELO Oc1c(Cl)cccc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724594409 734093647 /nfs/dbraw/zinc/09/36/47/734093647.db2.gz NVZFEAHBVAPENV-WZRBSPASSA-N 1 2 283.755 1.939 10 10 CDCELO C[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccccc1O ZINC000868623606 734744969 /nfs/dbraw/zinc/74/49/69/734744969.db2.gz KKXVNLLCIWCGRA-JTQLQIEISA-N 1 2 274.324 1.686 10 10 CDCELO Cc1ccc(O)c(CNC(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000858532077 735004321 /nfs/dbraw/zinc/00/43/21/735004321.db2.gz KNXQRDSIQWTVIB-UHFFFAOYSA-N 1 2 288.351 1.476 10 10 CDCELO C[C@@H](C[N@H+](C)c1ccc(N)cc1)CS(C)(=O)=O ZINC000706634017 736302988 /nfs/dbraw/zinc/30/29/88/736302988.db2.gz NEUNPXUSKOOVFJ-JTQLQIEISA-N 1 2 256.371 1.386 10 10 CDCELO C[C@@H](C[N@@H+](C)c1ccc(N)cc1)CS(C)(=O)=O ZINC000706634017 736302993 /nfs/dbraw/zinc/30/29/93/736302993.db2.gz NEUNPXUSKOOVFJ-JTQLQIEISA-N 1 2 256.371 1.386 10 10 CDCELO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001540494350 967142304 /nfs/dbraw/zinc/14/23/04/967142304.db2.gz MIUTYFCJESWRQS-UHFFFAOYSA-N 1 2 272.352 1.643 10 10 CDCELO [NH3+][C@@H](CO)c1ccc(F)c(Br)c1O ZINC000072199099 357534019 /nfs/dbraw/zinc/53/40/19/357534019.db2.gz QIXKLUVCBYHRCB-LURJTMIESA-N 1 2 250.067 1.286 10 10 CDCELO OCC(F)(F)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294810183 199193637 /nfs/dbraw/zinc/19/36/37/199193637.db2.gz WQJNZEYYMOKASV-UHFFFAOYSA-N 1 2 269.650 1.902 10 10 CDCELO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC(=O)N1C ZINC000282774290 368033178 /nfs/dbraw/zinc/03/31/78/368033178.db2.gz PWAMCUGHXDBRBH-SECBINFHSA-N 1 2 268.744 1.708 10 10 CDCELO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC(=O)N1C ZINC000282774290 368033186 /nfs/dbraw/zinc/03/31/86/368033186.db2.gz PWAMCUGHXDBRBH-SECBINFHSA-N 1 2 268.744 1.708 10 10 CDCELO O=C1NC[C@@H]2C[N@H+](Cc3cc(Cl)c(F)cc3O)CCN12 ZINC000294339352 371053436 /nfs/dbraw/zinc/05/34/36/371053436.db2.gz SBEODXYWBWQHNX-SECBINFHSA-N 1 2 299.733 1.394 10 10 CDCELO O=C1NC[C@@H]2C[N@@H+](Cc3cc(Cl)c(F)cc3O)CCN12 ZINC000294339352 371053440 /nfs/dbraw/zinc/05/34/40/371053440.db2.gz SBEODXYWBWQHNX-SECBINFHSA-N 1 2 299.733 1.394 10 10 CDCELO C[N@H+](Cc1cccc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000160202488 261208260 /nfs/dbraw/zinc/20/82/60/261208260.db2.gz IUXJFPAYXJWYLG-SNVBAGLBSA-N 1 2 273.329 1.150 10 10 CDCELO C[N@@H+](Cc1cccc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000160202488 261208262 /nfs/dbraw/zinc/20/82/62/261208262.db2.gz IUXJFPAYXJWYLG-SNVBAGLBSA-N 1 2 273.329 1.150 10 10 CDCELO COc1ccc([N@H+](C)CC2(CO)CCOCC2)cc1 ZINC000052199671 524350813 /nfs/dbraw/zinc/35/08/13/524350813.db2.gz PFQHXBLHXDLEPI-UHFFFAOYSA-N 1 2 265.353 1.921 10 10 CDCELO COc1ccc([N@@H+](C)CC2(CO)CCOCC2)cc1 ZINC000052199671 524350820 /nfs/dbraw/zinc/35/08/20/524350820.db2.gz PFQHXBLHXDLEPI-UHFFFAOYSA-N 1 2 265.353 1.921 10 10 CDCELO Cc1nc(N(C)C)nc(NCCc2ccc(O)c(O)c2)[nH+]1 ZINC000768534829 576294342 /nfs/dbraw/zinc/29/43/42/576294342.db2.gz LHRNBQKQOUUSSJ-UHFFFAOYSA-N 1 2 289.339 1.312 10 10 CDCELO Cc1nc(NCCc2ccc(O)c(O)c2)nc(N(C)C)[nH+]1 ZINC000768534829 576294345 /nfs/dbraw/zinc/29/43/45/576294345.db2.gz LHRNBQKQOUUSSJ-UHFFFAOYSA-N 1 2 289.339 1.312 10 10 CDCELO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)[C@@H](C)CN1CCO ZINC000841891532 619731938 /nfs/dbraw/zinc/73/19/38/619731938.db2.gz LWCKPEMVKWZQNL-RYUDHWBXSA-N 1 2 298.814 1.933 10 10 CDCELO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)[C@@H](C)CN1CCO ZINC000841891532 619731939 /nfs/dbraw/zinc/73/19/39/619731939.db2.gz LWCKPEMVKWZQNL-RYUDHWBXSA-N 1 2 298.814 1.933 10 10 CDCELO O=C(NCc1c(O)cccc1F)[C@H]1CCn2c[nH+]cc2C1 ZINC000928707143 620505037 /nfs/dbraw/zinc/50/50/37/620505037.db2.gz BAXSHZFNTKGRPR-JTQLQIEISA-N 1 2 289.310 1.607 10 10 CDCELO COC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000802659176 738373312 /nfs/dbraw/zinc/37/33/12/738373312.db2.gz FJBWIDGCTYGVDE-VIFPVBQESA-N 1 2 263.696 1.282 10 10 CDCELO Oc1c(F)cc(Cl)cc1C[NH2+]C1COCCOC1 ZINC000814172701 738794824 /nfs/dbraw/zinc/79/48/24/738794824.db2.gz ZTVAMQUSFMZBTQ-UHFFFAOYSA-N 1 2 275.707 1.690 10 10 CDCELO COc1cccc(O)c1C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000811502205 738835091 /nfs/dbraw/zinc/83/50/91/738835091.db2.gz MWIICMUSGYNAMN-HNNXBMFYSA-N 1 2 291.347 1.581 10 10 CDCELO COc1cccc(O)c1C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000811502205 738835092 /nfs/dbraw/zinc/83/50/92/738835092.db2.gz MWIICMUSGYNAMN-HNNXBMFYSA-N 1 2 291.347 1.581 10 10 CDCELO Cc1cc(O)c(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1Cl ZINC000862535826 737804347 /nfs/dbraw/zinc/80/43/47/737804347.db2.gz ZKCCYPYIJBWFOU-LLVKDONJSA-N 1 2 298.770 1.430 10 10 CDCELO Cc1cc(O)c(C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1Cl ZINC000862535826 737804350 /nfs/dbraw/zinc/80/43/50/737804350.db2.gz ZKCCYPYIJBWFOU-LLVKDONJSA-N 1 2 298.770 1.430 10 10 CDCELO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCn2c[nH+]cc21 ZINC001470554871 970342585 /nfs/dbraw/zinc/34/25/85/970342585.db2.gz PQKDVRNHEBDLHB-FWEMWIAWSA-N 1 2 285.303 1.569 10 10 CDCELO O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCn2c[nH+]cc21 ZINC001470554870 970343567 /nfs/dbraw/zinc/34/35/67/970343567.db2.gz PQKDVRNHEBDLHB-CJHWANRJSA-N 1 2 285.303 1.569 10 10 CDCELO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000124558066 360377476 /nfs/dbraw/zinc/37/74/76/360377476.db2.gz YHKIVCFSFNWLPJ-LLVKDONJSA-N 1 2 268.744 1.756 10 10 CDCELO CNC(=O)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000124558066 360377481 /nfs/dbraw/zinc/37/74/81/360377481.db2.gz YHKIVCFSFNWLPJ-LLVKDONJSA-N 1 2 268.744 1.756 10 10 CDCELO COc1cc(Cl)cc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282848624 368067014 /nfs/dbraw/zinc/06/70/14/368067014.db2.gz WFZZFKVWXHHWSI-SECBINFHSA-N 1 2 298.770 1.717 10 10 CDCELO COc1cc(Cl)cc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282848624 368067020 /nfs/dbraw/zinc/06/70/20/368067020.db2.gz WFZZFKVWXHHWSI-SECBINFHSA-N 1 2 298.770 1.717 10 10 CDCELO C[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCN2CCO[C@H]1C2 ZINC000295110244 371131698 /nfs/dbraw/zinc/13/16/98/371131698.db2.gz LMYFLYZLXRBUOY-KBPBESRZSA-N 1 2 296.798 1.951 10 10 CDCELO C[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCN2CCO[C@H]1C2 ZINC000295110244 371131702 /nfs/dbraw/zinc/13/17/02/371131702.db2.gz LMYFLYZLXRBUOY-KBPBESRZSA-N 1 2 296.798 1.951 10 10 CDCELO CCN(CC)C(=O)C[N@H+](C)Cc1cccc(F)c1O ZINC000160221144 391223087 /nfs/dbraw/zinc/22/30/87/391223087.db2.gz PFQDDUZCQUCCKC-UHFFFAOYSA-N 1 2 268.332 1.832 10 10 CDCELO CCN(CC)C(=O)C[N@@H+](C)Cc1cccc(F)c1O ZINC000160221144 391223090 /nfs/dbraw/zinc/22/30/90/391223090.db2.gz PFQDDUZCQUCCKC-UHFFFAOYSA-N 1 2 268.332 1.832 10 10 CDCELO O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000368230245 267153923 /nfs/dbraw/zinc/15/39/23/267153923.db2.gz WACXLAWBLUXOPY-SNVBAGLBSA-N 1 2 288.307 1.671 10 10 CDCELO O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000368230245 267153926 /nfs/dbraw/zinc/15/39/26/267153926.db2.gz WACXLAWBLUXOPY-SNVBAGLBSA-N 1 2 288.307 1.671 10 10 CDCELO C[C@@H]([NH2+]Cc1cccc(F)c1O)c1ncn(C)n1 ZINC000276297519 334798349 /nfs/dbraw/zinc/79/83/49/334798349.db2.gz UNAISDXPPVXQCG-MRVPVSSYSA-N 1 2 250.277 1.511 10 10 CDCELO C[C@H]([NH2+]Cc1cccc(F)c1O)c1cn(C)nn1 ZINC000720606579 741449457 /nfs/dbraw/zinc/44/94/57/741449457.db2.gz LVOCCTNSXRMGLO-QMMMGPOBSA-N 1 2 250.277 1.511 10 10 CDCELO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1O ZINC000700720368 740632687 /nfs/dbraw/zinc/63/26/87/740632687.db2.gz DZJBZPDHSQPIFF-VIFPVBQESA-N 1 2 256.252 1.039 10 10 CDCELO CC(C)[N@H+](CC(N)=O)Cc1ccc(F)c(F)c1O ZINC000703598035 742686280 /nfs/dbraw/zinc/68/62/80/742686280.db2.gz FUAWDZJRCBKNFD-UHFFFAOYSA-N 1 2 258.268 1.366 10 10 CDCELO CC(C)[N@@H+](CC(N)=O)Cc1ccc(F)c(F)c1O ZINC000703598035 742686283 /nfs/dbraw/zinc/68/62/83/742686283.db2.gz FUAWDZJRCBKNFD-UHFFFAOYSA-N 1 2 258.268 1.366 10 10 CDCELO CC(C)c1[nH]cc(CNC(=O)c2cccc(O)c2O)[nH+]1 ZINC001456342815 968940291 /nfs/dbraw/zinc/94/02/91/968940291.db2.gz HKRNPLGOWRCWDC-UHFFFAOYSA-N 1 2 275.308 1.874 10 10 CDCELO CC(C)c1[nH]c(CNC(=O)c2cccc(O)c2O)c[nH+]1 ZINC001456342815 968940298 /nfs/dbraw/zinc/94/02/98/968940298.db2.gz HKRNPLGOWRCWDC-UHFFFAOYSA-N 1 2 275.308 1.874 10 10 CDCELO Cc1cccc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1O ZINC000841891403 742862248 /nfs/dbraw/zinc/86/22/48/742862248.db2.gz KVZHPEVNAXCQLF-UONOGXRCSA-N 1 2 278.396 1.588 10 10 CDCELO Cc1cccc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1O ZINC000841891403 742862249 /nfs/dbraw/zinc/86/22/49/742862249.db2.gz KVZHPEVNAXCQLF-UONOGXRCSA-N 1 2 278.396 1.588 10 10 CDCELO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)C(N)=O)c1O ZINC000711161209 746847407 /nfs/dbraw/zinc/84/74/07/746847407.db2.gz QXTLKKYLWYKBTP-SSDOTTSWSA-N 1 2 284.743 1.554 10 10 CDCELO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)C(N)=O)c1O ZINC000711161209 746847408 /nfs/dbraw/zinc/84/74/08/746847408.db2.gz QXTLKKYLWYKBTP-SSDOTTSWSA-N 1 2 284.743 1.554 10 10 CDCELO CCc1cccc(C[NH2+]Cc2nc(COC)n[nH]2)c1O ZINC000827005400 747806644 /nfs/dbraw/zinc/80/66/44/747806644.db2.gz FRVKOTOIQWILFW-UHFFFAOYSA-N 1 2 276.340 1.509 10 10 CDCELO O=C(Cn1cc[nH+]c1)NCc1cccc(Cl)c1O ZINC001180411607 916349611 /nfs/dbraw/zinc/34/96/11/916349611.db2.gz ZNDYRBNHZPCTCV-UHFFFAOYSA-N 1 2 265.700 1.559 10 10 CDCELO O=C(NCc1c(O)cccc1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001456310530 968933633 /nfs/dbraw/zinc/93/36/33/968933633.db2.gz CEIOLISXAUVRKE-JTQLQIEISA-N 1 2 287.319 1.173 10 10 CDCELO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)OC ZINC000083382809 178383706 /nfs/dbraw/zinc/38/37/06/178383706.db2.gz BEVHLXUESILIOQ-ZDUSSCGKSA-N 1 2 250.342 1.794 10 10 CDCELO CN1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(F)cc2O)C1=O ZINC000295397963 378672842 /nfs/dbraw/zinc/67/28/42/378672842.db2.gz QJYMPIWYZBEANS-LLVKDONJSA-N 1 2 286.734 1.847 10 10 CDCELO CN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2O)C1=O ZINC000295397963 378672850 /nfs/dbraw/zinc/67/28/50/378672850.db2.gz QJYMPIWYZBEANS-LLVKDONJSA-N 1 2 286.734 1.847 10 10 CDCELO CCNC(=O)C[N@H+](CC)Cc1cccc(F)c1O ZINC000160224625 390945486 /nfs/dbraw/zinc/94/54/86/390945486.db2.gz VEUUNUOLBBUOOS-UHFFFAOYSA-N 1 2 254.305 1.489 10 10 CDCELO CCNC(=O)C[N@@H+](CC)Cc1cccc(F)c1O ZINC000160224625 390945487 /nfs/dbraw/zinc/94/54/87/390945487.db2.gz VEUUNUOLBBUOOS-UHFFFAOYSA-N 1 2 254.305 1.489 10 10 CDCELO O=C(c1c(F)ccc(O)c1O)N1CC[NH+](C2CC2)CC1 ZINC000278954880 328232172 /nfs/dbraw/zinc/23/21/72/328232172.db2.gz VYKHLAKGLHWARH-UHFFFAOYSA-N 1 2 280.299 1.157 10 10 CDCELO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1cccc(Cl)c1O ZINC000180234528 329218938 /nfs/dbraw/zinc/21/89/38/329218938.db2.gz XIQSIJCCYVCQLY-JQWIXIFHSA-N 1 2 299.754 1.808 10 10 CDCELO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000180234528 329218939 /nfs/dbraw/zinc/21/89/39/329218939.db2.gz XIQSIJCCYVCQLY-JQWIXIFHSA-N 1 2 299.754 1.808 10 10 CDCELO CSCc1n[nH]c(C[NH2+]Cc2ccc(C)cc2O)n1 ZINC000895814811 619857969 /nfs/dbraw/zinc/85/79/69/619857969.db2.gz UWCOKJNPVPQHES-UHFFFAOYSA-N 1 2 278.381 1.972 10 10 CDCELO OCCC1C[NH+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000839141332 751719945 /nfs/dbraw/zinc/71/99/45/751719945.db2.gz WBOGGNIQQTUIST-UHFFFAOYSA-N 1 2 259.708 1.999 10 10 CDCELO COCc1n[nH]c(C[NH2+][C@H](C)c2cc(F)ccc2O)n1 ZINC000850512729 750282481 /nfs/dbraw/zinc/28/24/81/750282481.db2.gz ALOQJNBVAUIQOW-MRVPVSSYSA-N 1 2 280.303 1.647 10 10 CDCELO OCCC1C[NH+](Cc2cccc(Br)c2O)C1 ZINC000839140130 752756992 /nfs/dbraw/zinc/75/69/92/752756992.db2.gz JXQUSCVQPYYQBU-UHFFFAOYSA-N 1 2 286.169 1.969 10 10 CDCELO Cc1cc(O)c(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)c(Cl)c1 ZINC000840941861 753033067 /nfs/dbraw/zinc/03/30/67/753033067.db2.gz OEWVVFOVRMDZGD-WDEREUQCSA-N 1 2 285.771 1.936 10 10 CDCELO Cc1cc(O)c(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)c(Cl)c1 ZINC000840941861 753033070 /nfs/dbraw/zinc/03/30/70/753033070.db2.gz OEWVVFOVRMDZGD-WDEREUQCSA-N 1 2 285.771 1.936 10 10 CDCELO CN(C)c1ccc(C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000801541853 753074695 /nfs/dbraw/zinc/07/46/95/753074695.db2.gz ALBCMXLWBWZJPC-INIZCTEOSA-N 1 2 288.391 1.933 10 10 CDCELO CN(C)c1ccc(C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000801541853 753074697 /nfs/dbraw/zinc/07/46/97/753074697.db2.gz ALBCMXLWBWZJPC-INIZCTEOSA-N 1 2 288.391 1.933 10 10 CDCELO C[NH+](C)Cc1nc(CNC(=O)c2cccc(O)c2O)co1 ZINC001522328279 970421128 /nfs/dbraw/zinc/42/11/28/970421128.db2.gz XXXUUODFJFPUMV-UHFFFAOYSA-N 1 2 291.307 1.077 10 10 CDCELO Cc1[nH+]c[nH]c1CC(=O)NCc1cccc(Cl)c1O ZINC001653567390 1171552206 /nfs/dbraw/zinc/55/22/06/1171552206.db2.gz XIKVOKKWVSUKRY-UHFFFAOYSA-N 1 2 279.727 1.936 10 10 CDCELO CC[C@@H](O)C[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000180164084 357248411 /nfs/dbraw/zinc/24/84/11/357248411.db2.gz WBYRVUBXAZNKRT-CYBMUJFWSA-N 1 2 298.814 1.934 10 10 CDCELO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000281655185 363819567 /nfs/dbraw/zinc/81/95/67/363819567.db2.gz BYGYUGOGWZXOQL-KWQFWETISA-N 1 2 268.744 1.802 10 10 CDCELO CCOc1ccc(O)c(C[N@H+](CC)CC(=O)OC)c1 ZINC000271141127 391288987 /nfs/dbraw/zinc/28/89/87/391288987.db2.gz DOUCQMQATBBQCZ-UHFFFAOYSA-N 1 2 267.325 1.786 10 10 CDCELO CCOc1ccc(O)c(C[N@@H+](CC)CC(=O)OC)c1 ZINC000271141127 391288991 /nfs/dbraw/zinc/28/89/91/391288991.db2.gz DOUCQMQATBBQCZ-UHFFFAOYSA-N 1 2 267.325 1.786 10 10 CDCELO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000894889915 619126027 /nfs/dbraw/zinc/12/60/27/619126027.db2.gz WUMCXVUKZOFPRG-LBPRGKRZSA-N 1 2 279.233 1.872 10 10 CDCELO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000894889915 619126028 /nfs/dbraw/zinc/12/60/28/619126028.db2.gz WUMCXVUKZOFPRG-LBPRGKRZSA-N 1 2 279.233 1.872 10 10 CDCELO CN(C)C(=O)C1([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000840959553 754702569 /nfs/dbraw/zinc/70/25/69/754702569.db2.gz YOEIZGLKSKPIHJ-UHFFFAOYSA-N 1 2 268.744 1.756 10 10 CDCELO Cn1ncc(C[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000389808461 755280661 /nfs/dbraw/zinc/28/06/61/755280661.db2.gz BGXRAJAHTFYDHG-UHFFFAOYSA-N 1 2 252.705 1.464 10 10 CDCELO O=C(NCc1ccccc1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000778913894 755680273 /nfs/dbraw/zinc/68/02/73/755680273.db2.gz JLYYCPIJILIJBC-UHFFFAOYSA-N 1 2 294.314 1.903 10 10 CDCELO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(N(C)C)no2)c1 ZINC000192782260 755727344 /nfs/dbraw/zinc/72/73/44/755727344.db2.gz MKISIGRWBJWXKL-VIFPVBQESA-N 1 2 292.339 1.701 10 10 CDCELO C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000858495099 756837284 /nfs/dbraw/zinc/83/72/84/756837284.db2.gz URSDXNAJMWKOBL-ZKWXMUAHSA-N 1 2 270.279 1.585 10 10 CDCELO Cn1cncc1C[NH2+]Cc1ccc(F)c(F)c1O ZINC000703418454 757669508 /nfs/dbraw/zinc/66/95/08/757669508.db2.gz YZKLSLSBSKSUBE-UHFFFAOYSA-N 1 2 253.252 1.694 10 10 CDCELO CCN(CC)C(=O)C[NH2+]Cc1ccc(F)c(F)c1O ZINC000703416332 757771195 /nfs/dbraw/zinc/77/11/95/757771195.db2.gz APYFQHIDGNNWIW-UHFFFAOYSA-N 1 2 272.295 1.628 10 10 CDCELO O=C(CCn1cc[nH+]c1)NCc1c(O)cccc1O ZINC001558533303 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C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(F)cc(F)c1O ZINC000858522844 928878930 /nfs/dbraw/zinc/87/89/30/928878930.db2.gz IQPNJLOOTJEQEX-MWLCHTKSSA-N 1 2 286.322 1.652 10 10 CDCELO COC(=O)[C@H](C[C@@H]1CCCOC1)[NH2+]Cc1ccccc1O ZINC000862516183 929422130 /nfs/dbraw/zinc/42/21/30/929422130.db2.gz MHYZCEHSZHEPJL-JSGCOSHPSA-N 1 2 293.363 1.840 10 10 CDCELO Cc1cc(Cl)cc(C[NH+]2CCN(C[C@H](C)O)CC2)c1O ZINC000189847257 358042643 /nfs/dbraw/zinc/04/26/43/358042643.db2.gz CEQMBKKANJJGFT-LBPRGKRZSA-N 1 2 298.814 1.852 10 10 CDCELO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1cn[nH]c1 ZINC000270256293 364521636 /nfs/dbraw/zinc/52/16/36/364521636.db2.gz VFMMJMSYEAXONW-QMMMGPOBSA-N 1 2 262.269 1.874 10 10 CDCELO COc1cc(O)c(C[N@H+](C)Cc2cc[nH]n2)cc1OC ZINC000768448674 576284761 /nfs/dbraw/zinc/28/47/61/576284761.db2.gz VFPBVOMOEARMJY-UHFFFAOYSA-N 1 2 277.324 1.765 10 10 CDCELO COc1cc(O)c(C[N@@H+](C)Cc2cc[nH]n2)cc1OC ZINC000768448674 576284763 /nfs/dbraw/zinc/28/47/63/576284763.db2.gz VFPBVOMOEARMJY-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/41/01/83/786410183.db2.gz IOYAAOBFYDKFTA-UHFFFAOYSA-N 1 2 252.705 1.464 10 10 CDCELO Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(O)c1O ZINC000857981731 786556733 /nfs/dbraw/zinc/55/67/33/786556733.db2.gz BBPLIOXAFVUIAK-SNVBAGLBSA-N 1 2 273.292 1.478 10 10 CDCELO Nc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000110380194 787841253 /nfs/dbraw/zinc/84/12/53/787841253.db2.gz VBAYCVRSBKZFCQ-AWEZNQCLSA-N 1 2 290.367 1.207 10 10 CDCELO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(N(C)C)no2)c1 ZINC000192782272 788861181 /nfs/dbraw/zinc/86/11/81/788861181.db2.gz MKISIGRWBJWXKL-SECBINFHSA-N 1 2 292.339 1.701 10 10 CDCELO COCC[N@@H+]1CCN(Cc2cc(C)ccc2O)C[C@@H]1C ZINC000245717304 361911620 /nfs/dbraw/zinc/91/16/20/361911620.db2.gz HFQSPJRPIHHUNQ-AWEZNQCLSA-N 1 2 278.396 1.853 10 10 CDCELO COCC[N@H+]1CCN(Cc2cc(C)ccc2O)C[C@@H]1C ZINC000245717304 361911624 /nfs/dbraw/zinc/91/16/24/361911624.db2.gz HFQSPJRPIHHUNQ-AWEZNQCLSA-N 1 2 278.396 1.853 10 10 CDCELO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(F)ccc1O 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C[C@@H](Cn1cc[nH+]c1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000864415689 795815718 /nfs/dbraw/zinc/81/57/18/795815718.db2.gz RRVHMYLWMQDLAQ-NSHDSACASA-N 1 2 286.335 1.703 10 10 CDCELO CC(C)(CNC(=O)c1cccc(O)c1O)n1cc[nH+]c1 ZINC000692571329 899639812 /nfs/dbraw/zinc/63/98/12/899639812.db2.gz FYUVSKGVCFSHJX-UHFFFAOYSA-N 1 2 275.308 1.459 10 10 CDCELO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703492303 922708355 /nfs/dbraw/zinc/70/83/55/922708355.db2.gz TZNMIQWQMXXIAQ-ZDUSSCGKSA-N 1 2 270.279 1.368 10 10 CDCELO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703492303 922708361 /nfs/dbraw/zinc/70/83/61/922708361.db2.gz TZNMIQWQMXXIAQ-ZDUSSCGKSA-N 1 2 270.279 1.368 10 10 CDCELO Cc1ccc(O)c(CNc2nc(N(C)C)nc(C)[nH+]2)c1 ZINC001261791847 946279719 /nfs/dbraw/zinc/27/97/19/946279719.db2.gz CSGYHAVAUUILRN-UHFFFAOYSA-N 1 2 273.340 1.872 10 10 CDCELO Cn1cc[nH+]c1CCC(=O)N1Cc2cccc(O)c2C1 ZINC001347889321 965739762 /nfs/dbraw/zinc/73/97/62/965739762.db2.gz JRALHWIYSKSQRE-UHFFFAOYSA-N 1 2 271.320 1.601 10 10 CDCELO O=C(CCCn1cc[nH+]c1)NCc1cccc(O)c1O ZINC001520508866 970193764 /nfs/dbraw/zinc/19/37/64/970193764.db2.gz NUVOLOAHRPFKHL-UHFFFAOYSA-N 1 2 275.308 1.391 10 10 CDCELO CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1O ZINC000049367891 521029199 /nfs/dbraw/zinc/02/91/99/521029199.db2.gz AYLVGIJWKHLLOE-RKDXNWHRSA-N 1 2 253.298 1.700 10 10 CDCELO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1O ZINC000752090831 577088386 /nfs/dbraw/zinc/08/83/86/577088386.db2.gz DHDHPTWNNBSPJV-TXEJJXNPSA-N 1 2 299.754 1.176 10 10 CDCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1O ZINC000752090831 577088387 /nfs/dbraw/zinc/08/83/87/577088387.db2.gz DHDHPTWNNBSPJV-TXEJJXNPSA-N 1 2 299.754 1.176 10 10 CDCELO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205572 1165277635 /nfs/dbraw/zinc/27/76/35/1165277635.db2.gz HMWKIDVGZRASFW-JTQLQIEISA-N 1 2 271.320 1.836 10 10 CDCELO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205572 1165277645 /nfs/dbraw/zinc/27/76/45/1165277645.db2.gz HMWKIDVGZRASFW-JTQLQIEISA-N 1 2 271.320 1.836 10 10 CDCELO CCC[N@H+](CC(N)=O)Cc1ccc(F)c(F)c1O ZINC000703613870 797265757 /nfs/dbraw/zinc/26/57/57/797265757.db2.gz WHSQIVHEUGAOPN-UHFFFAOYSA-N 1 2 258.268 1.368 10 10 CDCELO CCC[N@@H+](CC(N)=O)Cc1ccc(F)c(F)c1O ZINC000703613870 797265791 /nfs/dbraw/zinc/26/57/91/797265791.db2.gz WHSQIVHEUGAOPN-UHFFFAOYSA-N 1 2 258.268 1.368 10 10 CDCELO Cn1c[nH+]cc1CCC(=O)N1Cc2cccc(O)c2C1 ZINC000871203628 797878142 /nfs/dbraw/zinc/87/81/42/797878142.db2.gz DHPCWYMHGZODNH-UHFFFAOYSA-N 1 2 271.320 1.601 10 10 CDCELO COC[C@@](C)(CO)[NH2+]Cc1ccc(F)c(F)c1O ZINC000716828951 910692725 /nfs/dbraw/zinc/69/27/25/910692725.db2.gz KMQCXLZZQFVXAG-GFCCVEGCSA-N 1 2 261.268 1.157 10 10 CDCELO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(F)cc(F)c1O ZINC000846193187 931992519 /nfs/dbraw/zinc/99/25/19/931992519.db2.gz KNLZKLUZHBABQG-OTYXRUKQSA-N 1 2 287.306 1.863 10 10 CDCELO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H](C(N)=O)O1 ZINC000092006644 360261495 /nfs/dbraw/zinc/26/14/95/360261495.db2.gz LCRHGJJZGLFFQY-PRHODGIISA-N 1 2 284.743 1.120 10 10 CDCELO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H](C(N)=O)O1 ZINC000092006644 360261501 /nfs/dbraw/zinc/26/15/01/360261501.db2.gz LCRHGJJZGLFFQY-PRHODGIISA-N 1 2 284.743 1.120 10 10 CDCELO COc1nccnc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000295187704 371141868 /nfs/dbraw/zinc/14/18/68/371141868.db2.gz NQQLWMKESRESSO-UHFFFAOYSA-N 1 2 290.342 1.980 10 10 CDCELO CCOC(=O)[C@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000049370658 521207759 /nfs/dbraw/zinc/20/77/59/521207759.db2.gz XFKOXDCPNLCLIN-VIFPVBQESA-N 1 2 253.298 1.442 10 10 CDCELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1=CC(=O)CS1 ZINC000764898968 575963005 /nfs/dbraw/zinc/96/30/05/575963005.db2.gz ZGEHFPNEPNSNJX-SSDOTTSWSA-N 1 2 263.322 1.464 10 10 CDCELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1=CC(=O)CS1 ZINC000764898968 575963007 /nfs/dbraw/zinc/96/30/07/575963007.db2.gz ZGEHFPNEPNSNJX-SSDOTTSWSA-N 1 2 263.322 1.464 10 10 CDCELO C[C@H](O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000840978279 617986350 /nfs/dbraw/zinc/98/63/50/617986350.db2.gz MUQDUCPSZQBRJV-NHYWBVRUSA-N 1 2 282.359 1.473 10 10 CDCELO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000840978279 617986354 /nfs/dbraw/zinc/98/63/54/617986354.db2.gz MUQDUCPSZQBRJV-NHYWBVRUSA-N 1 2 282.359 1.473 10 10 CDCELO COC(=O)[C@]1(O)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000895702856 619805467 /nfs/dbraw/zinc/80/54/67/619805467.db2.gz FWTFHRMXPGBSCN-ZDUSSCGKSA-N 1 2 285.727 1.155 10 10 CDCELO COC(=O)[C@]1(O)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000895702856 619805470 /nfs/dbraw/zinc/80/54/70/619805470.db2.gz FWTFHRMXPGBSCN-ZDUSSCGKSA-N 1 2 285.727 1.155 10 10 CDCELO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(F)cc(F)c1O ZINC000903259874 625936559 /nfs/dbraw/zinc/93/65/59/625936559.db2.gz KSXZXYLCUSBYKP-JEUQWKINSA-N 1 2 284.306 1.975 10 10 CDCELO Cn1cnnc1C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000808218226 811166950 /nfs/dbraw/zinc/16/69/50/811166950.db2.gz UCRMVRBGVHIBLC-UHFFFAOYSA-N 1 2 272.352 1.641 10 10 CDCELO Cn1cnnc1C[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000808218226 811167016 /nfs/dbraw/zinc/16/70/16/811167016.db2.gz UCRMVRBGVHIBLC-UHFFFAOYSA-N 1 2 272.352 1.641 10 10 CDCELO CNC(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000398482082 811839374 /nfs/dbraw/zinc/83/93/74/811839374.db2.gz WVLQCTXTVULUFV-SNVBAGLBSA-N 1 2 268.744 1.614 10 10 CDCELO CNC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000398482082 811839375 /nfs/dbraw/zinc/83/93/75/811839375.db2.gz WVLQCTXTVULUFV-SNVBAGLBSA-N 1 2 268.744 1.614 10 10 CDCELO COc1ccc(O)c([C@@H](C)NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000847591153 812838901 /nfs/dbraw/zinc/83/89/01/812838901.db2.gz QUKACIQPJHVGGJ-LLVKDONJSA-N 1 2 292.379 1.920 10 10 CDCELO CC(=O)C(=O)COC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC000808533554 813365541 /nfs/dbraw/zinc/36/55/41/813365541.db2.gz QPBKHMLXPPSLFX-UHFFFAOYSA-N 1 2 269.341 1.341 10 10 CDCELO CC(=O)C(=O)COC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000808533554 813365549 /nfs/dbraw/zinc/36/55/49/813365549.db2.gz QPBKHMLXPPSLFX-UHFFFAOYSA-N 1 2 269.341 1.341 10 10 CDCELO C[C@H]([NH2+]Cc1cn(C)nn1)c1ccc(F)cc1O ZINC000389840545 813819535 /nfs/dbraw/zinc/81/95/35/813819535.db2.gz VBQCRKLNEKMXSE-QMMMGPOBSA-N 1 2 250.277 1.511 10 10 CDCELO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000846050175 817055589 /nfs/dbraw/zinc/05/55/89/817055589.db2.gz ROBOAMWYCVCWPH-CYBMUJFWSA-N 1 2 289.734 1.816 10 10 CDCELO Cc1cc(CNC(=O)Cc2ccc(O)c(O)c2)cc(C)[nH+]1 ZINC001557078760 965140807 /nfs/dbraw/zinc/14/08/07/965140807.db2.gz IWLZESJJUQXCFF-UHFFFAOYSA-N 1 2 286.331 1.969 10 10 CDCELO CCc1cccc(C[NH+]2CC3(C2)CNC(=O)O3)c1O ZINC000848918006 969353879 /nfs/dbraw/zinc/35/38/79/969353879.db2.gz MNRQYIWJSCKISH-UHFFFAOYSA-N 1 2 262.309 1.249 10 10 CDCELO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000125784246 374965035 /nfs/dbraw/zinc/96/50/35/374965035.db2.gz DQFPGTLDANUNRR-VXGBXAGGSA-N 1 2 299.754 1.808 10 10 CDCELO CC(C)[N@H+](CC(N)=O)Cc1cc(Cl)c(F)cc1O ZINC000294870682 391670124 /nfs/dbraw/zinc/67/01/24/391670124.db2.gz KBUPOHVDFMVFPR-UHFFFAOYSA-N 1 2 274.723 1.880 10 10 CDCELO CC(C)[N@@H+](CC(N)=O)Cc1cc(Cl)c(F)cc1O ZINC000294870682 391670128 /nfs/dbraw/zinc/67/01/28/391670128.db2.gz KBUPOHVDFMVFPR-UHFFFAOYSA-N 1 2 274.723 1.880 10 10 CDCELO O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000368230244 267153604 /nfs/dbraw/zinc/15/36/04/267153604.db2.gz WACXLAWBLUXOPY-JTQLQIEISA-N 1 2 288.307 1.671 10 10 CDCELO O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000368230244 267153607 /nfs/dbraw/zinc/15/36/07/267153607.db2.gz WACXLAWBLUXOPY-JTQLQIEISA-N 1 2 288.307 1.671 10 10 CDCELO [NH3+][C@@H](CO)c1c(O)c(Br)ccc1F ZINC000072199087 303449526 /nfs/dbraw/zinc/44/95/26/303449526.db2.gz IMEKWBVNAMFJET-LURJTMIESA-N 1 2 250.067 1.286 10 10 CDCELO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c(Cl)c1 ZINC000840915701 617663935 /nfs/dbraw/zinc/66/39/35/617663935.db2.gz FEYMORZQVAUAMM-JTQLQIEISA-N 1 2 296.754 1.990 10 10 CDCELO Cc1cc(O)c(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c(Cl)c1 ZINC000840915701 617663940 /nfs/dbraw/zinc/66/39/40/617663940.db2.gz FEYMORZQVAUAMM-JTQLQIEISA-N 1 2 296.754 1.990 10 10 CDCELO O=C1CC[C@H]2C[N@H+](Cc3cccc(F)c3O)CCN12 ZINC000160253091 1178367549 /nfs/dbraw/zinc/36/75/49/1178367549.db2.gz AWODZBZLZBSLEE-NSHDSACASA-N 1 2 264.300 1.338 10 10 CDCELO O=C1CC[C@H]2C[N@@H+](Cc3cccc(F)c3O)CCN12 ZINC000160253091 1178367557 /nfs/dbraw/zinc/36/75/57/1178367557.db2.gz AWODZBZLZBSLEE-NSHDSACASA-N 1 2 264.300 1.338 10 10 CDCELO Cn1nnnc1CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776256100 818876672 /nfs/dbraw/zinc/87/66/72/818876672.db2.gz KJHWESZONCSCCO-UHFFFAOYSA-N 1 2 285.710 1.041 10 10 CDCELO C[C@@H]1C[N@H+](CCO)CCN1Cc1cccc(Cl)c1O ZINC000825337941 821867408 /nfs/dbraw/zinc/86/74/08/821867408.db2.gz JHYMJWYBRAQHLZ-LLVKDONJSA-N 1 2 284.787 1.544 10 10 CDCELO C[C@@H]1C[N@@H+](CCO)CCN1Cc1cccc(Cl)c1O ZINC000825337941 821867413 /nfs/dbraw/zinc/86/74/13/821867413.db2.gz JHYMJWYBRAQHLZ-LLVKDONJSA-N 1 2 284.787 1.544 10 10 CDCELO 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ZINC000897940935 621237822 /nfs/dbraw/zinc/23/78/22/621237822.db2.gz HICFLGSOKHUPNH-UHFFFAOYSA-N 1 2 286.335 1.552 10 10 CDCELO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)CS1 ZINC000913533995 630538587 /nfs/dbraw/zinc/53/85/87/630538587.db2.gz IAWSEHDBZCGXCC-DTORHVGOSA-N 1 2 252.339 1.372 10 10 CDCELO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)CS1 ZINC000913533995 630538589 /nfs/dbraw/zinc/53/85/89/630538589.db2.gz IAWSEHDBZCGXCC-DTORHVGOSA-N 1 2 252.339 1.372 10 10 CDCELO CC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)C(=O)NC ZINC000703306667 822727082 /nfs/dbraw/zinc/72/70/82/822727082.db2.gz BXECMLVAAWHNOV-VIFPVBQESA-N 1 2 258.268 1.285 10 10 CDCELO CNC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000817415412 825878835 /nfs/dbraw/zinc/87/88/35/825878835.db2.gz SLSMOERNMSQOKJ-QMMMGPOBSA-N 1 2 286.734 1.753 10 10 CDCELO CNC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000817415412 825878844 /nfs/dbraw/zinc/87/88/44/825878844.db2.gz SLSMOERNMSQOKJ-QMMMGPOBSA-N 1 2 286.734 1.753 10 10 CDCELO 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293.302 1.108 10 10 CDCELO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H]1N(C)C ZINC000252765018 525003313 /nfs/dbraw/zinc/00/33/13/525003313.db2.gz GGTJJTDLWZMQGO-ZWNOBZJWSA-N 1 2 252.333 1.913 10 10 CDCELO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H]1N(C)C ZINC000252765018 525003318 /nfs/dbraw/zinc/00/33/18/525003318.db2.gz GGTJJTDLWZMQGO-ZWNOBZJWSA-N 1 2 252.333 1.913 10 10 CDCELO C[C@H]([NH2+]Cc1cccc(F)c1O)c1ncn(C)n1 ZINC000276297523 525455974 /nfs/dbraw/zinc/45/59/74/525455974.db2.gz UNAISDXPPVXQCG-QMMMGPOBSA-N 1 2 250.277 1.511 10 10 CDCELO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnn[nH]1 ZINC000398368110 1160104331 /nfs/dbraw/zinc/10/43/31/1160104331.db2.gz OEGYATRKFQWTCT-UHFFFAOYSA-N 1 2 255.325 1.895 10 10 CDCELO O=C(NCCc1ccc(O)c(O)c1)c1cc2c[nH+]ccc2[nH]1 ZINC001622753040 1165737388 /nfs/dbraw/zinc/73/73/88/1165737388.db2.gz DACLRAOGOMYAGB-UHFFFAOYSA-N 1 2 297.314 1.947 10 10 CDCELO C[C@H]1C(=O)N(C)CC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835046350 828884117 /nfs/dbraw/zinc/88/41/17/828884117.db2.gz QQCYWFPNULAZRH-GXMNPTEKSA-N 1 2 287.407 1.928 10 10 CDCELO C[C@H]1C(=O)N(C)CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835046350 828884118 /nfs/dbraw/zinc/88/41/18/828884118.db2.gz QQCYWFPNULAZRH-GXMNPTEKSA-N 1 2 287.407 1.928 10 10 CDCELO CC(=O)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446777 833436053 /nfs/dbraw/zinc/43/60/53/833436053.db2.gz CYOVBAOCFVSDHH-CYBMUJFWSA-N 1 2 281.352 1.485 10 10 CDCELO CC(=O)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446777 833436056 /nfs/dbraw/zinc/43/60/56/833436056.db2.gz CYOVBAOCFVSDHH-CYBMUJFWSA-N 1 2 281.352 1.485 10 10 CDCELO C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1C[NH+](C)C1 ZINC000827125921 832802411 /nfs/dbraw/zinc/80/24/11/832802411.db2.gz TVTZZAPUWFKFGO-UHFFFAOYSA-N 1 2 299.758 1.947 10 10 CDCELO C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1C[NH+](C)C1 ZINC000827125921 832802412 /nfs/dbraw/zinc/80/24/12/832802412.db2.gz TVTZZAPUWFKFGO-UHFFFAOYSA-N 1 2 299.758 1.947 10 10 CDCELO CCN1CCO[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708393459 835428659 /nfs/dbraw/zinc/42/86/59/835428659.db2.gz FNUGLLRVTURFAW-GFCCVEGCSA-N 1 2 286.322 1.481 10 10 CDCELO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC(=O)N1C ZINC001344609752 964379951 /nfs/dbraw/zinc/37/99/51/964379951.db2.gz GFSSNISZAINNOF-AWEZNQCLSA-N 1 2 287.407 1.949 10 10 CDCELO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC(=O)N1C ZINC001344609752 964379961 /nfs/dbraw/zinc/37/99/61/964379961.db2.gz GFSSNISZAINNOF-AWEZNQCLSA-N 1 2 287.407 1.949 10 10 CDCELO O=C(C1=CC(=O)CS1)N1CC[NH+](CCCCCO)CC1 ZINC000913694436 630736322 /nfs/dbraw/zinc/73/63/22/630736322.db2.gz PHWZAOKYJDKEJE-UHFFFAOYSA-N 1 2 298.408 1.374 10 10 CDCELO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000708397989 836914396 /nfs/dbraw/zinc/91/43/96/836914396.db2.gz DYJTWQKEMOCFNK-NSHDSACASA-N 1 2 270.279 1.381 10 10 CDCELO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000708397989 836914409 /nfs/dbraw/zinc/91/44/09/836914409.db2.gz DYJTWQKEMOCFNK-NSHDSACASA-N 1 2 270.279 1.381 10 10 CDCELO C[C@H](Cn1cc[nH+]c1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000864415688 837063394 /nfs/dbraw/zinc/06/33/94/837063394.db2.gz RRVHMYLWMQDLAQ-LLVKDONJSA-N 1 2 286.335 1.703 10 10 CDCELO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724559917 839080342 /nfs/dbraw/zinc/08/03/42/839080342.db2.gz NVZFEAHBVAPENV-MDZLAQPJSA-N 1 2 283.755 1.939 10 10 CDCELO C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000846192603 839560937 /nfs/dbraw/zinc/56/09/37/839560937.db2.gz URSDXNAJMWKOBL-BHNWBGBOSA-N 1 2 270.279 1.585 10 10 CDCELO CO[C@](C)(CO)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000848558252 842486770 /nfs/dbraw/zinc/48/67/70/842486770.db2.gz KWSZLZSQMYPESL-OQPBUACISA-N 1 2 275.295 1.718 10 10 CDCELO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C)C(=O)C2)c1O ZINC000191142581 278244135 /nfs/dbraw/zinc/24/41/35/278244135.db2.gz DKYNLUBPONMXIA-UHFFFAOYSA-N 1 2 294.326 1.398 10 10 CDCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C)C(=O)C2)c1O ZINC000191142581 278244138 /nfs/dbraw/zinc/24/41/38/278244138.db2.gz DKYNLUBPONMXIA-UHFFFAOYSA-N 1 2 294.326 1.398 10 10 CDCELO CCOC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(O)cc1O ZINC000049367894 521212975 /nfs/dbraw/zinc/21/29/75/521212975.db2.gz AYLVGIJWKHLLOE-BDAKNGLRSA-N 1 2 253.298 1.700 10 10 CDCELO CC[N@@H+](CC(=O)OC)Cc1c(O)cccc1OC ZINC000769317423 576345169 /nfs/dbraw/zinc/34/51/69/576345169.db2.gz PIKJWXRNCNMRAW-UHFFFAOYSA-N 1 2 253.298 1.396 10 10 CDCELO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)nn2)c1 ZINC000757658974 577048981 /nfs/dbraw/zinc/04/89/81/577048981.db2.gz WHFMXODTWLMPMH-SECBINFHSA-N 1 2 290.323 1.158 10 10 CDCELO COC(=O)[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1O ZINC000895588955 619741996 /nfs/dbraw/zinc/74/19/96/619741996.db2.gz BRALNBVLBILRDA-CQSZACIVSA-N 1 2 293.363 1.840 10 10 CDCELO O=C(CCc1[nH]cc[nH+]1)NCc1c(O)cccc1O ZINC001635847634 1166628349 /nfs/dbraw/zinc/62/83/49/1166628349.db2.gz QOZZGCQSXJMREK-UHFFFAOYSA-N 1 2 261.281 1.070 10 10 CDCELO O=C(c1c(F)ccc(O)c1O)N1CCn2c[nH+]cc2C1 ZINC001654628490 1171626831 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CCOc1ccc(C[N@H+]2CCN(C3CC3)C(=O)C2)c(O)c1 ZINC000769425159 576353321 /nfs/dbraw/zinc/35/33/21/576353321.db2.gz FBSRYKPHBQKEOS-UHFFFAOYSA-N 1 2 290.363 1.598 10 10 CDCELO CC[N@H+](CC(=O)OC)Cc1cc(C)cc(OC)c1O ZINC000754727083 576912705 /nfs/dbraw/zinc/91/27/05/576912705.db2.gz NTPBNONTJKUJKF-UHFFFAOYSA-N 1 2 267.325 1.704 10 10 CDCELO CC[N@@H+](CC(=O)OC)Cc1cc(C)cc(OC)c1O ZINC000754727083 576912707 /nfs/dbraw/zinc/91/27/07/576912707.db2.gz NTPBNONTJKUJKF-UHFFFAOYSA-N 1 2 267.325 1.704 10 10 CDCELO C/C(=C\C(=O)NCc1ccccc1O)C[NH+]1CCOCC1 ZINC000901124472 623881302 /nfs/dbraw/zinc/88/13/02/623881302.db2.gz OGNDQKZUHNCORC-JLHYYAGUSA-N 1 2 290.363 1.287 10 10 CDCELO Cc1[nH+]c[nH]c1CC(=O)NCc1cc(Cl)ccc1O ZINC001628666383 1166087231 /nfs/dbraw/zinc/08/72/31/1166087231.db2.gz BTQFKWISYDUAHR-UHFFFAOYSA-N 1 2 279.727 1.936 10 10 CDCELO COCc1n[nH]c(C[NH2+]Cc2cc(Cl)c(C)cc2O)n1 ZINC000827005068 731847703 /nfs/dbraw/zinc/84/77/03/731847703.db2.gz BVBJPYBRKUDCPA-UHFFFAOYSA-N 1 2 296.758 1.908 10 10 CDCELO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCN1CCO ZINC000779214939 732235397 /nfs/dbraw/zinc/23/53/97/732235397.db2.gz WECNRZNSZAVKCK-NSHDSACASA-N 1 2 284.787 1.544 10 10 CDCELO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCN1CCO ZINC000779214939 732235403 /nfs/dbraw/zinc/23/54/03/732235403.db2.gz WECNRZNSZAVKCK-NSHDSACASA-N 1 2 284.787 1.544 10 10 CDCELO COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1O ZINC000802657566 732249251 /nfs/dbraw/zinc/24/92/51/732249251.db2.gz JCSLASUQSNNGQG-TXEJJXNPSA-N 1 2 299.754 1.654 10 10 CDCELO COc1cc(Cl)cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1O ZINC000802657566 732249256 /nfs/dbraw/zinc/24/92/56/732249256.db2.gz JCSLASUQSNNGQG-TXEJJXNPSA-N 1 2 299.754 1.654 10 10 CDCELO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001148760671 932788342 /nfs/dbraw/zinc/78/83/42/932788342.db2.gz DAHSVLWWPZAWMR-UHFFFAOYSA-N 1 2 286.295 1.811 10 10 CDCELO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(Cl)c2O)C[C@H]1C ZINC000180084900 357241733 /nfs/dbraw/zinc/24/17/33/357241733.db2.gz CYYIGUWORBOUMZ-VXGBXAGGSA-N 1 2 298.814 1.933 10 10 CDCELO C[C@@H](O)C[N@H+]1CCN(Cc2cccc(Cl)c2O)C[C@H]1C ZINC000180084900 357241737 /nfs/dbraw/zinc/24/17/37/357241737.db2.gz CYYIGUWORBOUMZ-VXGBXAGGSA-N 1 2 298.814 1.933 10 10 CDCELO CCOc1ccc(O)c(C[N@H+]2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282752462 368020851 /nfs/dbraw/zinc/02/08/51/368020851.db2.gz OFKVRPVVEAVSLP-LLVKDONJSA-N 1 2 278.352 1.453 10 10 CDCELO CCOc1ccc(O)c(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282752462 368020857 /nfs/dbraw/zinc/02/08/57/368020857.db2.gz OFKVRPVVEAVSLP-LLVKDONJSA-N 1 2 278.352 1.453 10 10 CDCELO [NH3+][C@H](CO)c1c(O)c(Br)ccc1F ZINC000072199086 303480976 /nfs/dbraw/zinc/48/09/76/303480976.db2.gz IMEKWBVNAMFJET-ZCFIWIBFSA-N 1 2 250.067 1.286 10 10 CDCELO [NH3+][C@H](CO)c1ccc(F)c(Br)c1O ZINC000072199098 303481220 /nfs/dbraw/zinc/48/12/20/303481220.db2.gz QIXKLUVCBYHRCB-ZCFIWIBFSA-N 1 2 250.067 1.286 10 10 CDCELO CC[C@H]([NH2+]CCc1nnnn1C)c1cccc(Cl)c1O ZINC000806143174 1162653778 /nfs/dbraw/zinc/65/37/78/1162653778.db2.gz 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ZINC000825337942 736630413 /nfs/dbraw/zinc/63/04/13/736630413.db2.gz JHYMJWYBRAQHLZ-NSHDSACASA-N 1 2 284.787 1.544 10 10 CDCELO C[C@H]1C[N@@H+](CCO)CCN1Cc1cccc(Cl)c1O ZINC000825337942 736630417 /nfs/dbraw/zinc/63/04/17/736630417.db2.gz JHYMJWYBRAQHLZ-NSHDSACASA-N 1 2 284.787 1.544 10 10 CDCELO CO[C@@](C)(CO)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000848558250 738520230 /nfs/dbraw/zinc/52/02/30/738520230.db2.gz KWSZLZSQMYPESL-AMIZOPFISA-N 1 2 275.295 1.718 10 10 CDCELO OC[C@@]1(O)CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000839160923 738604684 /nfs/dbraw/zinc/60/46/84/738604684.db2.gz WPHMIQJREYDQTO-CYBMUJFWSA-N 1 2 271.744 1.365 10 10 CDCELO OC[C@@]1(O)CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000839160923 738604695 /nfs/dbraw/zinc/60/46/95/738604695.db2.gz WPHMIQJREYDQTO-CYBMUJFWSA-N 1 2 271.744 1.365 10 10 CDCELO O=C(NCc1c(O)cccc1F)[C@@H]1CCc2c[nH+]cn2C1 ZINC000928706636 736891853 /nfs/dbraw/zinc/89/18/53/736891853.db2.gz SQIXRKMQMTYIAZ-SNVBAGLBSA-N 1 2 289.310 1.607 10 10 CDCELO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000708397988 737302118 /nfs/dbraw/zinc/30/21/18/737302118.db2.gz DYJTWQKEMOCFNK-LLVKDONJSA-N 1 2 270.279 1.381 10 10 CDCELO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000708397988 737302121 /nfs/dbraw/zinc/30/21/21/737302121.db2.gz DYJTWQKEMOCFNK-LLVKDONJSA-N 1 2 270.279 1.381 10 10 CDCELO C[C@H]1CN(C)C(=O)C[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835046699 738136197 /nfs/dbraw/zinc/13/61/97/738136197.db2.gz ZCBRPQQUGBKPLC-GXMNPTEKSA-N 1 2 287.407 1.928 10 10 CDCELO C[C@H]1CN(C)C(=O)C[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835046699 738136201 /nfs/dbraw/zinc/13/62/01/738136201.db2.gz ZCBRPQQUGBKPLC-GXMNPTEKSA-N 1 2 287.407 1.928 10 10 CDCELO CNC(=O)C[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000827862900 936610356 /nfs/dbraw/zinc/61/03/56/936610356.db2.gz UBJGBZFNFOHQAW-UHFFFAOYSA-N 1 2 256.733 1.532 10 10 CDCELO CNC(=O)C[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000827862900 936610357 /nfs/dbraw/zinc/61/03/57/936610357.db2.gz UBJGBZFNFOHQAW-UHFFFAOYSA-N 1 2 256.733 1.532 10 10 CDCELO Cc1ccc(O)c(CNC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000862755433 929465620 /nfs/dbraw/zinc/46/56/20/929465620.db2.gz GYRLDXYBKNONNG-UHFFFAOYSA-N 1 2 262.353 1.659 10 10 CDCELO Nc1ccc(N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000019282624 134699622 /nfs/dbraw/zinc/69/96/22/134699622.db2.gz NSUJRGALALTFBR-UHFFFAOYSA-N 1 2 254.337 1.990 10 10 CDCELO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC(=O)N1C ZINC000282076840 263074322 /nfs/dbraw/zinc/07/43/22/263074322.db2.gz HIXBEFDTFDARCC-GFCCVEGCSA-N 1 2 261.369 1.415 10 10 CDCELO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC(=O)N1C ZINC000282076840 263074323 /nfs/dbraw/zinc/07/43/23/263074323.db2.gz HIXBEFDTFDARCC-GFCCVEGCSA-N 1 2 261.369 1.415 10 10 CDCELO CC(=O)c1cn(C2C[NH+](Cc3ccccc3O)C2)nn1 ZINC000897937083 621235026 /nfs/dbraw/zinc/23/50/26/621235026.db2.gz GICUNLZRUAXEKQ-UHFFFAOYSA-N 1 2 272.308 1.243 10 10 CDCELO CC(=O)N1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000033299986 632200003 /nfs/dbraw/zinc/20/00/03/632200003.db2.gz ZDPREYRVELBQCE-PLNGDYQASA-N 1 2 287.407 1.930 10 10 CDCELO O=C(NCc1cc(O)ccc1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001651225505 1171306480 /nfs/dbraw/zinc/30/64/80/1171306480.db2.gz MLUMOPHHGOIGFH-JTQLQIEISA-N 1 2 287.319 1.173 10 10 CDCELO O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCn2c[nH+]cc21 ZINC001585868810 1172920270 /nfs/dbraw/zinc/92/02/70/1172920270.db2.gz RTZAAGXZFOQLKA-JTQLQIEISA-N 1 2 273.292 1.098 10 10 CDCELO CCN1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708389530 740362099 /nfs/dbraw/zinc/36/20/99/740362099.db2.gz LHBRORIFJCODFZ-LLVKDONJSA-N 1 2 256.296 1.854 10 10 CDCELO COCc1n[nH]c(C[NH2+]Cc2cc(C)c(C)cc2O)n1 ZINC000850361271 739690892 /nfs/dbraw/zinc/69/08/92/739690892.db2.gz XCXLZTKDOGQGAT-UHFFFAOYSA-N 1 2 276.340 1.563 10 10 CDCELO CC[C@@H]([NH2+][C@H]1CCNC1=O)c1cccc(Cl)c1O ZINC000850480430 740389672 /nfs/dbraw/zinc/38/96/72/740389672.db2.gz AOVKKNSACJRXJY-MNOVXSKESA-N 1 2 268.744 1.975 10 10 CDCELO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708391050 740611308 /nfs/dbraw/zinc/61/13/08/740611308.db2.gz SSCIOKUGQNFXMD-HQJQHLMTSA-N 1 2 270.279 1.427 10 10 CDCELO CN(C)c1ccc(/C=C\C[NH2+]Cc2ncn(C)n2)cc1 ZINC000835040523 741231562 /nfs/dbraw/zinc/23/15/62/741231562.db2.gz DVYWBEFDCYKHDB-PLNGDYQASA-N 1 2 271.368 1.684 10 10 CDCELO COC(OC)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000703395966 741333704 /nfs/dbraw/zinc/33/37/04/741333704.db2.gz WIMHQHJDKLTMQT-SSDOTTSWSA-N 1 2 261.268 1.767 10 10 CDCELO CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC001641461993 1167109945 /nfs/dbraw/zinc/10/99/45/1167109945.db2.gz GCFMOHFOWHEBJJ-UHFFFAOYSA-N 1 2 289.335 1.388 10 10 CDCELO Cc1nnc(C[NH2+]Cc2cccc(F)c2O)s1 ZINC000391830783 944281319 /nfs/dbraw/zinc/28/13/19/944281319.db2.gz OAHYOWIDUREXKB-UHFFFAOYSA-N 1 2 253.302 1.981 10 10 CDCELO OCCOCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293545156 378572560 /nfs/dbraw/zinc/57/25/60/378572560.db2.gz GKGHZGNZCYNPNP-UHFFFAOYSA-N 1 2 277.723 1.673 10 10 CDCELO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000049367888 521210780 /nfs/dbraw/zinc/21/07/80/521210780.db2.gz AYLVGIJWKHLLOE-IUCAKERBSA-N 1 2 253.298 1.700 10 10 CDCELO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccnn1C ZINC000774160435 575185686 /nfs/dbraw/zinc/18/56/86/575185686.db2.gz GDFDFPUWUZAUDF-VIFPVBQESA-N 1 2 276.296 1.885 10 10 CDCELO Cc1cc(O)c(C[NH2+]Cc2cn(C)nn2)c(Cl)c1 ZINC000840938026 743500628 /nfs/dbraw/zinc/50/06/28/743500628.db2.gz WQPIBGZJHRRDQF-UHFFFAOYSA-N 1 2 266.732 1.772 10 10 CDCELO Oc1cccc2c1CN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC000866118478 742849495 /nfs/dbraw/zinc/84/94/95/742849495.db2.gz BAXQWCYMZZDJDD-UHFFFAOYSA-N 1 2 298.346 1.539 10 10 CDCELO Oc1cccc2c1CN(c1cc(N3CCOCC3)nc[nH+]1)C2 ZINC000866118478 742849496 /nfs/dbraw/zinc/84/94/96/742849496.db2.gz BAXQWCYMZZDJDD-UHFFFAOYSA-N 1 2 298.346 1.539 10 10 CDCELO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000846048192 745081839 /nfs/dbraw/zinc/08/18/39/745081839.db2.gz YVCFRXAYVXSQKU-DTWKUNHWSA-N 1 2 289.734 1.766 10 10 CDCELO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000846048192 745081843 /nfs/dbraw/zinc/08/18/43/745081843.db2.gz YVCFRXAYVXSQKU-DTWKUNHWSA-N 1 2 289.734 1.766 10 10 CDCELO C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC(=O)N1C ZINC000835049983 745412082 /nfs/dbraw/zinc/41/20/82/745412082.db2.gz OJAYLBHYSDXHJM-VBROQKIQSA-N 1 2 287.407 1.928 10 10 CDCELO C[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC(=O)N1C ZINC000835049983 745412100 /nfs/dbraw/zinc/41/21/00/745412100.db2.gz OJAYLBHYSDXHJM-VBROQKIQSA-N 1 2 287.407 1.928 10 10 CDCELO CC[C@H]1C(=O)NCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835027281 745738366 /nfs/dbraw/zinc/73/83/66/745738366.db2.gz JXUAUJAGCBVJRZ-KJPDOMRESA-N 1 2 287.407 1.976 10 10 CDCELO CC[C@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835027281 745738377 /nfs/dbraw/zinc/73/83/77/745738377.db2.gz JXUAUJAGCBVJRZ-KJPDOMRESA-N 1 2 287.407 1.976 10 10 CDCELO NC(=O)CC1([NH2+]Cc2cccc(Cl)c2O)CCC1 ZINC000789554362 747080445 /nfs/dbraw/zinc/08/04/45/747080445.db2.gz OVTZJVURNYYKML-UHFFFAOYSA-N 1 2 268.744 1.933 10 10 CDCELO OCCCOCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001327418472 954873296 /nfs/dbraw/zinc/87/32/96/954873296.db2.gz JADBUFOUTLOXCT-UHFFFAOYSA-N 1 2 277.723 1.673 10 10 CDCELO C[N@H+](Cc1nnnn1C(C)(C)C)Cc1ccccc1O ZINC000766815577 576136600 /nfs/dbraw/zinc/13/66/00/576136600.db2.gz VWTOENXTOGYIIQ-UHFFFAOYSA-N 1 2 275.356 1.766 10 10 CDCELO C[N@@H+](Cc1nnnn1C(C)(C)C)Cc1ccccc1O ZINC000766815577 576136603 /nfs/dbraw/zinc/13/66/03/576136603.db2.gz VWTOENXTOGYIIQ-UHFFFAOYSA-N 1 2 275.356 1.766 10 10 CDCELO Nc1[nH+]ccc2c1CN(C(=O)C1=CC(=O)CS1)CC2 ZINC001635026477 1166555276 /nfs/dbraw/zinc/55/52/76/1166555276.db2.gz IVLOLMYOZZXHIU-UHFFFAOYSA-N 1 2 275.333 1.629 10 10 CDCELO COc1cccc(CNC(=O)Cc2[nH]c[nH+]c2C)c1O ZINC001636061818 1166648821 /nfs/dbraw/zinc/64/88/21/1166648821.db2.gz YEWSOTUFUVMQLW-UHFFFAOYSA-N 1 2 275.308 1.291 10 10 CDCELO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1Cc2cccc(O)c2C1 ZINC000825356296 750717253 /nfs/dbraw/zinc/71/72/53/750717253.db2.gz PUARITNALYVAMR-GHMZBOCLSA-N 1 2 269.304 1.761 10 10 CDCELO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1Cc2cccc(O)c2C1 ZINC000825356296 750717278 /nfs/dbraw/zinc/71/72/78/750717278.db2.gz PUARITNALYVAMR-GHMZBOCLSA-N 1 2 269.304 1.761 10 10 CDCELO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000706724250 750887603 /nfs/dbraw/zinc/88/76/03/750887603.db2.gz PUSGYSZDVGLRMK-MNOVXSKESA-N 1 2 257.717 1.285 10 10 CDCELO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(F)cc(F)c1O ZINC000858434833 751312666 /nfs/dbraw/zinc/31/26/66/751312666.db2.gz QRWKHQJSCPXLHN-UFBFGSQYSA-N 1 2 297.305 1.788 10 10 CDCELO Cc1cc(O)c(CN2CC[N@H+](CCO)[C@@H](C)C2)cc1C ZINC000250104723 752399458 /nfs/dbraw/zinc/39/94/58/752399458.db2.gz RWTLRDDSAJKPBS-AWEZNQCLSA-N 1 2 278.396 1.507 10 10 CDCELO Cc1cc(O)c(CN2CC[N@@H+](CCO)[C@@H](C)C2)cc1C ZINC000250104723 752399467 /nfs/dbraw/zinc/39/94/67/752399467.db2.gz RWTLRDDSAJKPBS-AWEZNQCLSA-N 1 2 278.396 1.507 10 10 CDCELO O[C@H](CNc1ccccc1OCCF)C[NH+]1CCOCC1 ZINC000819489072 753279826 /nfs/dbraw/zinc/27/98/26/753279826.db2.gz QUPYRNKZXPMYSV-CYBMUJFWSA-N 1 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GGTJJTDLWZMQGO-GWCFXTLKSA-N 1 2 252.333 1.913 10 10 CDCELO C[C@H](O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000840979199 617990592 /nfs/dbraw/zinc/99/05/92/617990592.db2.gz ZHIGTUYIYIMFBH-ZANVPECISA-N 1 2 271.744 1.627 10 10 CDCELO C[C@H](O)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000840979199 617990603 /nfs/dbraw/zinc/99/06/03/617990603.db2.gz ZHIGTUYIYIMFBH-ZANVPECISA-N 1 2 271.744 1.627 10 10 CDCELO O=C(NCc1cc(O)ccc1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001633598834 1166435701 /nfs/dbraw/zinc/43/57/01/1166435701.db2.gz CZIYSRICDLEZST-SNVBAGLBSA-N 1 2 287.319 1.173 10 10 CDCELO CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)C(=O)NC ZINC000703306666 753857953 /nfs/dbraw/zinc/85/79/53/753857953.db2.gz BXECMLVAAWHNOV-SECBINFHSA-N 1 2 258.268 1.285 10 10 CDCELO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000846046992 754203417 /nfs/dbraw/zinc/20/34/17/754203417.db2.gz GBAAXKAVCQALET-WDEREUQCSA-N 1 2 289.734 1.766 10 10 CDCELO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000846046992 754203420 /nfs/dbraw/zinc/20/34/20/754203420.db2.gz GBAAXKAVCQALET-WDEREUQCSA-N 1 2 289.734 1.766 10 10 CDCELO CN(C)c1ccc(CN(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)cc1 ZINC000864633317 754279890 /nfs/dbraw/zinc/27/98/90/754279890.db2.gz FVAIGKMTYKVBTN-AWEZNQCLSA-N 1 2 288.351 1.168 10 10 CDCELO Cc1cc(C)c(O)c(C[N@@H+]2CCn3nncc3C2)c1 ZINC000848491625 755110493 /nfs/dbraw/zinc/11/04/93/755110493.db2.gz NVEZAIBYUZOKJD-UHFFFAOYSA-N 1 2 258.325 1.616 10 10 CDCELO Cc1cc(C)c(O)c(C[N@H+]2CCn3nncc3C2)c1 ZINC000848491625 755110505 /nfs/dbraw/zinc/11/05/05/755110505.db2.gz NVEZAIBYUZOKJD-UHFFFAOYSA-N 1 2 258.325 1.616 10 10 CDCELO CO[C@]1(C[NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000126978321 755177909 /nfs/dbraw/zinc/17/79/09/755177909.db2.gz PDISDYZJMPDNHQ-ZDUSSCGKSA-N 1 2 271.744 1.941 10 10 CDCELO CC1(C)C[N@H+](Cc2cc(F)ccc2O)[C@@H]2COC[C@H]2O1 ZINC000846118066 755813316 /nfs/dbraw/zinc/81/33/16/755813316.db2.gz KHMHJULSNYYPQZ-TZMCWYRMSA-N 1 2 281.327 1.910 10 10 CDCELO CC1(C)C[N@@H+](Cc2cc(F)ccc2O)[C@@H]2COC[C@H]2O1 ZINC000846118066 755813317 /nfs/dbraw/zinc/81/33/17/755813317.db2.gz KHMHJULSNYYPQZ-TZMCWYRMSA-N 1 2 281.327 1.910 10 10 CDCELO COC[C@](C)(O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000824559075 757433427 /nfs/dbraw/zinc/43/34/27/757433427.db2.gz DWIZIMFWMNHJLB-CYBMUJFWSA-N 1 2 273.760 1.923 10 10 CDCELO COC(OC)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000703395968 922702038 /nfs/dbraw/zinc/70/20/38/922702038.db2.gz WIMHQHJDKLTMQT-ZETCQYMHSA-N 1 2 261.268 1.767 10 10 CDCELO CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1cc[nH+]c1 ZINC000074191422 346564906 /nfs/dbraw/zinc/56/49/06/346564906.db2.gz PPSLAWHDAUMAOE-UHFFFAOYSA-N 1 2 286.335 1.375 10 10 CDCELO O=C1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)CCN1 ZINC000295394240 371254023 /nfs/dbraw/zinc/25/40/23/371254023.db2.gz QBOLUBIJEAHNMC-UHFFFAOYSA-N 1 2 272.707 1.507 10 10 CDCELO COC(=O)[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1O)C(C)C ZINC000035346492 172138604 /nfs/dbraw/zinc/13/86/04/172138604.db2.gz JOGXBZPKNURQLV-ZANVPECISA-N 1 2 267.325 1.946 10 10 CDCELO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C1N=NC(=O)N1C ZINC000895177361 619425817 /nfs/dbraw/zinc/42/58/17/619425817.db2.gz REDIONSXEGLZEQ-SSDOTTSWSA-N 1 2 282.731 1.731 10 10 CDCELO C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccccc1O ZINC000868693689 1164983206 /nfs/dbraw/zinc/98/32/06/1164983206.db2.gz QILVUTTVHJDYLW-LLVKDONJSA-N 1 2 288.351 1.729 10 10 CDCELO COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(O)c1 ZINC000822612223 769543980 /nfs/dbraw/zinc/54/39/80/769543980.db2.gz MDQHSMIFNOSQEG-VXGBXAGGSA-N 1 2 287.319 1.544 10 10 CDCELO COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(O)c1 ZINC000822612223 769543986 /nfs/dbraw/zinc/54/39/86/769543986.db2.gz MDQHSMIFNOSQEG-VXGBXAGGSA-N 1 2 287.319 1.544 10 10 CDCELO Cn1ncc(C[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000922126772 772485697 /nfs/dbraw/zinc/48/56/97/772485697.db2.gz LKVQCFJDPNWAGV-UHFFFAOYSA-N 1 2 258.325 1.430 10 10 CDCELO Cc1cc(O)c(C[N@H+]2CCN(CCO)C[C@@H]2C)cc1Cl ZINC001328759176 955460244 /nfs/dbraw/zinc/46/02/44/955460244.db2.gz MKWYYUSNMUQHPP-LBPRGKRZSA-N 1 2 298.814 1.852 10 10 CDCELO Cc1cc(O)c(C[N@@H+]2CCN(CCO)C[C@@H]2C)cc1Cl ZINC001328759176 955460252 /nfs/dbraw/zinc/46/02/52/955460252.db2.gz MKWYYUSNMUQHPP-LBPRGKRZSA-N 1 2 298.814 1.852 10 10 CDCELO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H](C(N)=O)O1 ZINC000092006645 360261178 /nfs/dbraw/zinc/26/11/78/360261178.db2.gz LCRHGJJZGLFFQY-PELKAZGASA-N 1 2 284.743 1.120 10 10 CDCELO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H](C(N)=O)O1 ZINC000092006645 360261184 /nfs/dbraw/zinc/26/11/84/360261184.db2.gz LCRHGJJZGLFFQY-PELKAZGASA-N 1 2 284.743 1.120 10 10 CDCELO CC(=O)N1CCN(c2ccc3c(c2)CCC[NH2+]3)CC1 ZINC000084896035 135034889 /nfs/dbraw/zinc/03/48/89/135034889.db2.gz TVNJODTUDPSYDS-UHFFFAOYSA-N 1 2 259.353 1.713 10 10 CDCELO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(F)cc(F)c1O ZINC000756594894 576997282 /nfs/dbraw/zinc/99/72/82/576997282.db2.gz PZYHIRGLDDSXDS-SCZZXKLOSA-N 1 2 284.306 1.942 10 10 CDCELO C[C@@H]([NH2+]Cc1cn(C)nn1)c1cc(F)cc(F)c1O ZINC000757657734 577048775 /nfs/dbraw/zinc/04/87/75/577048775.db2.gz QIZXLZINVRVZIZ-SSDOTTSWSA-N 1 2 268.267 1.650 10 10 CDCELO COc1ccc(O)c(C[N@@H+]2CCO[C@H](C(F)F)C2)c1 ZINC000802652828 773847995 /nfs/dbraw/zinc/84/79/95/773847995.db2.gz KMPPYIKDXWOGCJ-LBPRGKRZSA-N 1 2 273.279 1.867 10 10 CDCELO COc1ccc(O)c(C[N@H+]2CCO[C@H](C(F)F)C2)c1 ZINC000802652828 773847997 /nfs/dbraw/zinc/84/79/97/773847997.db2.gz KMPPYIKDXWOGCJ-LBPRGKRZSA-N 1 2 273.279 1.867 10 10 CDCELO Cc1cc(Cl)cc(C[NH2+]Cc2nnn(C)n2)c1O ZINC000787333955 773978276 /nfs/dbraw/zinc/97/82/76/773978276.db2.gz BESYDYDVCOQQJB-UHFFFAOYSA-N 1 2 267.720 1.167 10 10 CDCELO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000862483206 774415560 /nfs/dbraw/zinc/41/55/60/774415560.db2.gz IMYWKWGRUQJRBF-KYZUINATSA-N 1 2 254.717 1.399 10 10 CDCELO CC[C@H]([NH2+][C@H]1CNOC1)c1cccc(Cl)c1O ZINC000925867364 775037590 /nfs/dbraw/zinc/03/75/90/775037590.db2.gz RSOBXXXHGAYGEC-KWQFWETISA-N 1 2 256.733 1.990 10 10 CDCELO CC[N@H+](Cc1cn(C)nn1)Cc1cc2c(cc1O)OCO2 ZINC000781581238 775253726 /nfs/dbraw/zinc/25/37/26/775253726.db2.gz ANGMDTQELDJBFQ-UHFFFAOYSA-N 1 2 290.323 1.272 10 10 CDCELO CC[N@@H+](Cc1cn(C)nn1)Cc1cc2c(cc1O)OCO2 ZINC000781581238 775253749 /nfs/dbraw/zinc/25/37/49/775253749.db2.gz ANGMDTQELDJBFQ-UHFFFAOYSA-N 1 2 290.323 1.272 10 10 CDCELO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000703418047 776134370 /nfs/dbraw/zinc/13/43/70/776134370.db2.gz RYSQFWXDZMBUAC-QMMMGPOBSA-N 1 2 272.295 1.627 10 10 CDCELO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(F)c(F)c1O ZINC000724872183 778039782 /nfs/dbraw/zinc/03/97/82/778039782.db2.gz JQLMYTXSHOROGG-GHMZBOCLSA-N 1 2 273.279 1.564 10 10 CDCELO Cn1nncc1C[NH2+]Cc1cccc(Cl)c1O ZINC000290159588 527652076 /nfs/dbraw/zinc/65/20/76/527652076.db2.gz LTODELUMSBNGBD-UHFFFAOYSA-N 1 2 252.705 1.464 10 10 CDCELO CSCc1nnc(C[NH2+]Cc2c(C)cccc2O)[nH]1 ZINC000895813932 619857637 /nfs/dbraw/zinc/85/76/37/619857637.db2.gz NGSSFJFIQLAQCP-UHFFFAOYSA-N 1 2 278.381 1.972 10 10 CDCELO Cn1c[nH+]c(CCNC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC001626052495 1161341219 /nfs/dbraw/zinc/34/12/19/1161341219.db2.gz MKDGZQFQDJYWMV-HYXAFXHYSA-N 1 2 287.319 1.203 10 10 CDCELO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000827489463 783039738 /nfs/dbraw/zinc/03/97/38/783039738.db2.gz RHLUMKNPXXOXEF-HNNXBMFYSA-N 1 2 297.326 1.685 10 10 CDCELO COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000827489463 783039741 /nfs/dbraw/zinc/03/97/41/783039741.db2.gz RHLUMKNPXXOXEF-HNNXBMFYSA-N 1 2 297.326 1.685 10 10 CDCELO CN1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2O)C1=O ZINC000703541200 783243180 /nfs/dbraw/zinc/24/31/80/783243180.db2.gz LYRIVQLPLPGHOZ-SNVBAGLBSA-N 1 2 270.279 1.333 10 10 CDCELO CN1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2O)C1=O ZINC000703541200 783243189 /nfs/dbraw/zinc/24/31/89/783243189.db2.gz LYRIVQLPLPGHOZ-SNVBAGLBSA-N 1 2 270.279 1.333 10 10 CDCELO O=C1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)CCN1 ZINC000396748162 783245621 /nfs/dbraw/zinc/24/56/21/783245621.db2.gz QNEJYWFZOCXLLV-JTQLQIEISA-N 1 2 268.744 1.804 10 10 CDCELO NC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000690736393 896725967 /nfs/dbraw/zinc/72/59/67/896725967.db2.gz ZAXAMZALRCTVMT-VIFPVBQESA-N 1 2 269.732 1.288 10 10 CDCELO NC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000690736393 896725977 /nfs/dbraw/zinc/72/59/77/896725977.db2.gz ZAXAMZALRCTVMT-VIFPVBQESA-N 1 2 269.732 1.288 10 10 CDCELO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000840915319 936968263 /nfs/dbraw/zinc/96/82/63/936968263.db2.gz ORIQTUFYBGBWBM-UHFFFAOYSA-N 1 2 287.407 1.868 10 10 CDCELO Cc1cc(N(C)C)ccc1C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000840915319 936968265 /nfs/dbraw/zinc/96/82/65/936968265.db2.gz ORIQTUFYBGBWBM-UHFFFAOYSA-N 1 2 287.407 1.868 10 10 CDCELO Oc1cc(F)c(Cl)cc1C[NH2+]CCCn1ccnn1 ZINC000816567871 930317341 /nfs/dbraw/zinc/31/73/41/930317341.db2.gz OFQQPOICXULGDN-UHFFFAOYSA-N 1 2 284.722 1.956 10 10 CDCELO COCc1n[nH]c(C[NH2+][C@@H](C)c2cccc(OC)c2O)n1 ZINC001330318187 956376259 /nfs/dbraw/zinc/37/62/59/956376259.db2.gz JLKUFYKMEFCPAW-VIFPVBQESA-N 1 2 292.339 1.516 10 10 CDCELO CC(C)NC(=O)C[N@H+](C)Cc1cccc(F)c1O ZINC000160220945 390945532 /nfs/dbraw/zinc/94/55/32/390945532.db2.gz IBZJDXXYBCVJRK-UHFFFAOYSA-N 1 2 254.305 1.488 10 10 CDCELO CC(C)NC(=O)C[N@@H+](C)Cc1cccc(F)c1O ZINC000160220945 390945533 /nfs/dbraw/zinc/94/55/33/390945533.db2.gz IBZJDXXYBCVJRK-UHFFFAOYSA-N 1 2 254.305 1.488 10 10 CDCELO Oc1ccc(C[NH2+]Cc2nnc3ccccn32)cc1O ZINC000020185350 171048558 /nfs/dbraw/zinc/04/85/58/171048558.db2.gz XJQABRQQVOCBGR-UHFFFAOYSA-N 1 2 270.292 1.430 10 10 CDCELO COc1cc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)c(O)cc1C ZINC000799956268 618401829 /nfs/dbraw/zinc/40/18/29/618401829.db2.gz QXYLXUPCVOIEOA-LLVKDONJSA-N 1 2 278.352 1.372 10 10 CDCELO COc1cc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c(O)cc1C ZINC000799956268 618401843 /nfs/dbraw/zinc/40/18/43/618401843.db2.gz QXYLXUPCVOIEOA-LLVKDONJSA-N 1 2 278.352 1.372 10 10 CDCELO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccccc1O ZINC000864425137 1164541380 /nfs/dbraw/zinc/54/13/80/1164541380.db2.gz ULLKIFGKKXFSNL-NSHDSACASA-N 1 2 274.324 1.649 10 10 CDCELO Oc1c(C[NH2+]C[C@@H](O)C(F)(F)F)ccc(F)c1F ZINC000703233711 922679067 /nfs/dbraw/zinc/67/90/67/922679067.db2.gz MLJJQCKYYVCEBQ-SSDOTTSWSA-N 1 2 271.185 1.683 10 10 CDCELO C[S@@](=O)C1(C[NH2+]Cc2ccc(F)c(F)c2O)CC1 ZINC000703330351 922688043 /nfs/dbraw/zinc/68/80/43/922688043.db2.gz WSEZGFBVHCRMJE-GOSISDBHSA-N 1 2 275.320 1.671 10 10 CDCELO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)c1O ZINC000840979099 936970561 /nfs/dbraw/zinc/97/05/61/936970561.db2.gz RKTGPJIRKWKBEI-GXFFZTMASA-N 1 2 285.771 1.936 10 10 CDCELO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)c1O ZINC000840979099 936970563 /nfs/dbraw/zinc/97/05/63/936970563.db2.gz RKTGPJIRKWKBEI-GXFFZTMASA-N 1 2 285.771 1.936 10 10 CDCELO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000858249336 928824293 /nfs/dbraw/zinc/82/42/93/928824293.db2.gz OOUCHGFODYJKPU-KYZUINATSA-N 1 2 299.168 1.508 10 10 CDCELO Cc1cc(O)c(C[N@H+]2CCO[C@H](CC(N)=O)C2)c(Cl)c1 ZINC000862535457 929423856 /nfs/dbraw/zinc/42/38/56/929423856.db2.gz 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/nfs/dbraw/zinc/36/03/36/575360336.db2.gz WKBNGRLKEVRJDW-AOOOYVTPSA-N 1 2 292.162 1.627 10 10 CDCELO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cc[nH+]c1 ZINC000773740870 575837022 /nfs/dbraw/zinc/83/70/22/575837022.db2.gz QSEJYPBMYODJFA-SNVBAGLBSA-N 1 2 275.308 1.042 10 10 CDCELO CC[C@@H]([NH2+][C@@H]1CNOC1)c1cccc(Cl)c1O ZINC000925860569 617899525 /nfs/dbraw/zinc/89/95/25/617899525.db2.gz RSOBXXXHGAYGEC-LDYMZIIASA-N 1 2 256.733 1.990 10 10 CDCELO Oc1cccc2c1CN(c1nc(N3CCOCC3)cc[nH+]1)C2 ZINC000866117802 1164738773 /nfs/dbraw/zinc/73/87/73/1164738773.db2.gz RFTMWVDMEHHGPM-UHFFFAOYSA-N 1 2 298.346 1.539 10 10 CDCELO CC(C)(C[NH2+]Cc1ccc(F)c(F)c1O)S(C)(=O)=O ZINC000703393818 785722329 /nfs/dbraw/zinc/72/23/29/785722329.db2.gz FFFJBMYCQFGPHM-UHFFFAOYSA-N 1 2 293.335 1.583 10 10 CDCELO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000858495100 785896245 /nfs/dbraw/zinc/89/62/45/785896245.db2.gz URSDXNAJMWKOBL-ZXFLCMHBSA-N 1 2 270.279 1.585 10 10 CDCELO 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C[N@H+](CCS(C)(=O)=O)Cc1cccc(F)c1O ZINC000160249690 261209369 /nfs/dbraw/zinc/20/93/69/261209369.db2.gz ROROYISNYLRIQB-UHFFFAOYSA-N 1 2 261.318 1.008 10 10 CDCELO C[N@@H+](CCS(C)(=O)=O)Cc1cccc(F)c1O ZINC000160249690 261209370 /nfs/dbraw/zinc/20/93/70/261209370.db2.gz ROROYISNYLRIQB-UHFFFAOYSA-N 1 2 261.318 1.008 10 10 CDCELO Cc1ccc(O)c(C[N@@H+]2CC(F)(F)C[C@@H]2CO)c1 ZINC000364841049 525338762 /nfs/dbraw/zinc/33/87/62/525338762.db2.gz FHDVOVZZPZHUBH-LLVKDONJSA-N 1 2 257.280 1.903 10 10 CDCELO Cc1ccc(O)c(C[N@H+]2CC(F)(F)C[C@@H]2CO)c1 ZINC000364841049 525338771 /nfs/dbraw/zinc/33/87/71/525338771.db2.gz FHDVOVZZPZHUBH-LLVKDONJSA-N 1 2 257.280 1.903 10 10 CDCELO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1c(O)cccc1O ZINC001639292829 1166921991 /nfs/dbraw/zinc/92/19/91/1166921991.db2.gz SGPGVZGRIWVHIN-SECBINFHSA-N 1 2 275.308 1.316 10 10 CDCELO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1c(O)cccc1O ZINC001639292829 1166921996 /nfs/dbraw/zinc/92/19/96/1166921996.db2.gz SGPGVZGRIWVHIN-SECBINFHSA-N 1 2 275.308 1.316 10 10 CDCELO O=C1NCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776139870 837685522 /nfs/dbraw/zinc/68/55/22/837685522.db2.gz SHEFMEPLBPXFSO-JTQLQIEISA-N 1 2 272.707 1.553 10 10 CDCELO CCN(CC)c1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000398394921 836710651 /nfs/dbraw/zinc/71/06/51/836710651.db2.gz ZUXBFOGLJJUKKU-UHFFFAOYSA-N 1 2 259.357 1.941 10 10 CDCELO Cc1cc(O)c(C[NH2+]Cc2cnn(C)n2)c(Cl)c1 ZINC000840946794 837969009 /nfs/dbraw/zinc/96/90/09/837969009.db2.gz VAADVKMYVZJQPP-UHFFFAOYSA-N 1 2 266.732 1.772 10 10 CDCELO Cc1ccc(O)c(C[NH+]2CC3(C2)CN(C)C(=O)O3)c1 ZINC000817415833 839809009 /nfs/dbraw/zinc/80/90/09/839809009.db2.gz AYDFZUXCUUVZMT-UHFFFAOYSA-N 1 2 262.309 1.337 10 10 CDCELO CC(C)(O)C[N@@H+]1CC[C@H](NCc2c(O)cccc2Cl)C1 ZINC000865660080 842193900 /nfs/dbraw/zinc/19/39/00/842193900.db2.gz WADDPLFBZHPXOS-NSHDSACASA-N 1 2 298.814 1.980 10 10 CDCELO CC(C)(O)C[N@H+]1CC[C@H](NCc2c(O)cccc2Cl)C1 ZINC000865660080 842193904 /nfs/dbraw/zinc/19/39/04/842193904.db2.gz WADDPLFBZHPXOS-NSHDSACASA-N 1 2 298.814 1.980 10 10 CDCELO CC[C@@H](CO)[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000271767136 364997538 /nfs/dbraw/zinc/99/75/38/364997538.db2.gz FPLYXNKGEOXJEM-ZDUSSCGKSA-N 1 2 298.814 1.934 10 10 CDCELO Cc1nnc([C@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)[nH]1 ZINC000180238606 329218909 /nfs/dbraw/zinc/21/89/09/329218909.db2.gz IZQCAGXRGWUETC-CYBMUJFWSA-N 1 2 292.314 1.531 10 10 CDCELO C[C@H]([NH2+]Cc1cn(C)nn1)c1cc([N+](=O)[O-])ccc1O ZINC000757658980 577048806 /nfs/dbraw/zinc/04/88/06/577048806.db2.gz WHSRAJOVUKJRFX-QMMMGPOBSA-N 1 2 277.284 1.280 10 10 CDCELO C[C@H](CNC(=O)c1cccc(O)c1O)Cn1cc[nH+]c1 ZINC001618213218 1165625337 /nfs/dbraw/zinc/62/53/37/1165625337.db2.gz ZPDXGIYXLLYLOF-SNVBAGLBSA-N 1 2 275.308 1.360 10 10 CDCELO C[C@@H]([NH2+]Cc1cnn(C)n1)c1cc(F)cc(F)c1O ZINC000806167106 844243951 /nfs/dbraw/zinc/24/39/51/844243951.db2.gz KRVFMGTXIHHWFG-SSDOTTSWSA-N 1 2 268.267 1.650 10 10 CDCELO CC[C@@H]1C(=O)NCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835027282 843074221 /nfs/dbraw/zinc/07/42/21/843074221.db2.gz JXUAUJAGCBVJRZ-OGZRUICASA-N 1 2 287.407 1.976 10 10 CDCELO CC[C@@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835027282 843074236 /nfs/dbraw/zinc/07/42/36/843074236.db2.gz JXUAUJAGCBVJRZ-OGZRUICASA-N 1 2 287.407 1.976 10 10 CDCELO Cc1cccc(CN2CC[N@@H+](CCO)C[C@H]2C)c1O ZINC000825338125 843870339 /nfs/dbraw/zinc/87/03/39/843870339.db2.gz MELDLKUBSDNXBQ-CYBMUJFWSA-N 1 2 264.369 1.199 10 10 CDCELO Cc1cccc(CN2CC[N@H+](CCO)C[C@H]2C)c1O ZINC000825338125 843870340 /nfs/dbraw/zinc/87/03/40/843870340.db2.gz MELDLKUBSDNXBQ-CYBMUJFWSA-N 1 2 264.369 1.199 10 10 CDCELO CN(C)c1ccc(/C=C/C[NH2+]Cc2ncn(C)n2)cc1 ZINC000835040525 845289454 /nfs/dbraw/zinc/28/94/54/845289454.db2.gz DVYWBEFDCYKHDB-SNAWJCMRSA-N 1 2 271.368 1.684 10 10 CDCELO CN(C)c1ccc(/C=C/C[N@@H+]2CCn3ncnc3C2)cc1 ZINC000835047005 845884164 /nfs/dbraw/zinc/88/41/64/845884164.db2.gz OACJWSBYAGWUHZ-ONEGZZNKSA-N 1 2 283.379 1.873 10 10 CDCELO CN(C)c1ccc(/C=C/C[N@H+]2CCn3ncnc3C2)cc1 ZINC000835047005 845884169 /nfs/dbraw/zinc/88/41/69/845884169.db2.gz OACJWSBYAGWUHZ-ONEGZZNKSA-N 1 2 283.379 1.873 10 10 CDCELO C[C@@H]1[NH2+]CC[C@H]1NCc1cccc(Br)c1O ZINC000863487472 847352989 /nfs/dbraw/zinc/35/29/89/847352989.db2.gz QCZFXYJEUCJYAN-GZMMTYOYSA-N 1 2 285.185 1.995 10 10 CDCELO C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000863487472 847352999 /nfs/dbraw/zinc/35/29/99/847352999.db2.gz QCZFXYJEUCJYAN-GZMMTYOYSA-N 1 2 285.185 1.995 10 10 CDCELO CS(=O)(=O)c1ccc(Nc2ccc(N)c[nH+]2)cc1 ZINC000034971831 364380001 /nfs/dbraw/zinc/38/00/01/364380001.db2.gz CYICIBCCYFHKSW-UHFFFAOYSA-N 1 2 263.322 1.811 10 10 CDCELO CC[N@H+](CC(=O)OC)Cc1ccc(N(C)C)c(F)c1 ZINC000271179294 364962785 /nfs/dbraw/zinc/96/27/85/364962785.db2.gz YNCQDGCOCKZOPE-UHFFFAOYSA-N 1 2 268.332 1.887 10 10 CDCELO CC[N@@H+](CC(=O)OC)Cc1ccc(N(C)C)c(F)c1 ZINC000271179294 364962789 /nfs/dbraw/zinc/96/27/89/364962789.db2.gz YNCQDGCOCKZOPE-UHFFFAOYSA-N 1 2 268.332 1.887 10 10 CDCELO Nc1ccc(Nc2ccc3c(c2)C(=O)NC3=O)[nH+]c1 ZINC000020584564 171258068 /nfs/dbraw/zinc/25/80/68/171258068.db2.gz CAFGONDVIYJXOQ-UHFFFAOYSA-N 1 2 254.249 1.291 10 10 CDCELO CN(C)c1noc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000185274562 262048500 /nfs/dbraw/zinc/04/85/00/262048500.db2.gz JZRHXDYJOOFCIZ-UHFFFAOYSA-N 1 2 262.313 1.473 10 10 CDCELO CN(C)c1noc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000185274562 262048501 /nfs/dbraw/zinc/04/85/01/262048501.db2.gz JZRHXDYJOOFCIZ-UHFFFAOYSA-N 1 2 262.313 1.473 10 10 CDCELO COc1cccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282762577 263078592 /nfs/dbraw/zinc/07/85/92/263078592.db2.gz OWCMAGLNMOGOSF-SNVBAGLBSA-N 1 2 264.325 1.063 10 10 CDCELO COc1cccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282762577 263078593 /nfs/dbraw/zinc/07/85/93/263078593.db2.gz OWCMAGLNMOGOSF-SNVBAGLBSA-N 1 2 264.325 1.063 10 10 CDCELO CN(C)c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC000073180325 522194532 /nfs/dbraw/zinc/19/45/32/522194532.db2.gz ZQEUPAQZFZSVIC-UHFFFAOYSA-N 1 2 258.325 1.266 10 10 CDCELO CCn1cc(C[NH2+]Cc2cccc(F)c2O)nn1 ZINC000404472936 1186519479 /nfs/dbraw/zinc/51/94/79/1186519479.db2.gz SMZIQTALULOCCX-UHFFFAOYSA-N 1 2 250.277 1.433 10 10 CDCELO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724952272 697929490 /nfs/dbraw/zinc/92/94/90/697929490.db2.gz HOTFSPRXHXASCA-DMLGSKKGSA-N 1 2 255.264 1.673 10 10 CDCELO Cn1cnc(CC[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000708454329 698659546 /nfs/dbraw/zinc/65/95/46/698659546.db2.gz PNMMWOJRNRTKRD-UHFFFAOYSA-N 1 2 267.279 1.736 10 10 CDCELO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000775402219 698979108 /nfs/dbraw/zinc/97/91/08/698979108.db2.gz ASFNRVCKGKBNSY-GFCCVEGCSA-N 1 2 272.352 1.827 10 10 CDCELO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC001168300641 908933697 /nfs/dbraw/zinc/93/36/97/908933697.db2.gz MFMGJYVZZJGREG-LLVKDONJSA-N 1 2 298.306 1.920 10 10 CDCELO O=C(NCCNc1cccc[nH+]1)c1c(F)ccc(O)c1O ZINC001472482813 970652522 /nfs/dbraw/zinc/65/25/22/970652522.db2.gz OMDBVKNEBOJHED-UHFFFAOYSA-N 1 2 291.282 1.474 10 10 CDCELO 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1 2 267.325 1.704 10 10 CDCELO CC[N@@H+](CC(=O)OC)Cc1cc(OC)c(C)cc1O ZINC000768452715 576285375 /nfs/dbraw/zinc/28/53/75/576285375.db2.gz RLRPPIDXZLIYDJ-UHFFFAOYSA-N 1 2 267.325 1.704 10 10 CDCELO O=C1OC[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)C[C@@H]12 ZINC000895414392 619648022 /nfs/dbraw/zinc/64/80/22/619648022.db2.gz KZNHYTAKODSNFY-PSASIEDQSA-N 1 2 269.247 1.275 10 10 CDCELO O=C1OC[C@H]2C[N@H+](Cc3cc(F)cc(F)c3O)C[C@@H]12 ZINC000895414392 619648026 /nfs/dbraw/zinc/64/80/26/619648026.db2.gz KZNHYTAKODSNFY-PSASIEDQSA-N 1 2 269.247 1.275 10 10 CDCELO C[NH+]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895427939 619654760 /nfs/dbraw/zinc/65/47/60/619654760.db2.gz NPFDPBKGRNPDNT-UHFFFAOYSA-N 1 2 292.360 1.700 10 10 CDCELO NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703630265 678945111 /nfs/dbraw/zinc/94/51/11/678945111.db2.gz CSPILJFTTPBPIL-QMMMGPOBSA-N 1 2 270.279 1.368 10 10 CDCELO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703630265 678945109 /nfs/dbraw/zinc/94/51/09/678945109.db2.gz CSPILJFTTPBPIL-QMMMGPOBSA-N 1 2 270.279 1.368 10 10 CDCELO CC[S@@](=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000162641538 677714375 /nfs/dbraw/zinc/71/43/75/677714375.db2.gz GDTGMRZPMDRUAU-INIZCTEOSA-N 1 2 261.774 1.904 10 10 CDCELO CN(C)c1ccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000713096343 677963489 /nfs/dbraw/zinc/96/34/89/677963489.db2.gz HZLAJZQAUJPZKX-GFCCVEGCSA-N 1 2 283.322 1.366 10 10 CDCELO COC(=O)[C@@H](C[C@H]1CCCOC1)[NH2+]Cc1ccccc1O ZINC000862516185 678145553 /nfs/dbraw/zinc/14/55/53/678145553.db2.gz MHYZCEHSZHEPJL-TZMCWYRMSA-N 1 2 293.363 1.840 10 10 CDCELO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000840912527 679666669 /nfs/dbraw/zinc/66/66/69/679666669.db2.gz ISRBJQQHTNGNDP-GFCCVEGCSA-N 1 2 284.743 1.040 10 10 CDCELO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000840912527 679666672 /nfs/dbraw/zinc/66/66/72/679666672.db2.gz ISRBJQQHTNGNDP-GFCCVEGCSA-N 1 2 284.743 1.040 10 10 CDCELO CCN1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708389532 678175924 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1166839802 /nfs/dbraw/zinc/83/98/02/1166839802.db2.gz DCLIIEMVVDZJIT-JTQLQIEISA-N 1 2 289.335 1.501 10 10 CDCELO Cn1nncc1C[NH2+]Cc1ccc(F)c(F)c1O ZINC000703257581 735516674 /nfs/dbraw/zinc/51/66/74/735516674.db2.gz QHDKKGOYPVHQTJ-UHFFFAOYSA-N 1 2 254.240 1.089 10 10 CDCELO C[C@@H]1C(=O)N(C)CC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835046352 735532913 /nfs/dbraw/zinc/53/29/13/735532913.db2.gz QQCYWFPNULAZRH-VBROQKIQSA-N 1 2 287.407 1.928 10 10 CDCELO C[C@@H]1C(=O)N(C)CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835046352 735532915 /nfs/dbraw/zinc/53/29/15/735532915.db2.gz QQCYWFPNULAZRH-VBROQKIQSA-N 1 2 287.407 1.928 10 10 CDCELO CC1(CO)C[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000839145686 733694037 /nfs/dbraw/zinc/69/40/37/733694037.db2.gz QMOJOHHCBVAVDE-UHFFFAOYSA-N 1 2 259.708 1.999 10 10 CDCELO NC(=O)C1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708559348 733755192 /nfs/dbraw/zinc/75/51/92/733755192.db2.gz QZKKRGZHGWCUMF-UHFFFAOYSA-N 1 2 284.306 1.804 10 10 CDCELO Oc1ccc2ccncc2c1C[N@@H+]1CCn2nncc2C1 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C[C@H](O)[C@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000840978359 617987077 /nfs/dbraw/zinc/98/70/77/617987077.db2.gz NMYHOVYOFNXNPI-QHRXKSQHSA-N 1 2 290.407 1.847 10 10 CDCELO O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000910943245 629124811 /nfs/dbraw/zinc/12/48/11/629124811.db2.gz LOKXVUREJXDVFS-GHMZBOCLSA-N 1 2 273.292 1.241 10 10 CDCELO O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000910943245 629124815 /nfs/dbraw/zinc/12/48/15/629124815.db2.gz LOKXVUREJXDVFS-GHMZBOCLSA-N 1 2 273.292 1.241 10 10 CDCELO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(F)cc(F)c1O ZINC000858434832 736370810 /nfs/dbraw/zinc/37/08/10/736370810.db2.gz QRWKHQJSCPXLHN-QPUJVOFHSA-N 1 2 297.305 1.788 10 10 CDCELO CCOc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c(O)c1 ZINC000800537859 738079960 /nfs/dbraw/zinc/07/99/60/738079960.db2.gz HEFBPMOLCJMWTL-NSHDSACASA-N 1 2 278.352 1.453 10 10 CDCELO CCOc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c(O)c1 ZINC000800537859 738079963 /nfs/dbraw/zinc/07/99/63/738079963.db2.gz 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CC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCN1C[C@@H](C)O ZINC000180099540 261839954 /nfs/dbraw/zinc/83/99/54/261839954.db2.gz YNNKWRFJVJRGQE-DOMZBBRYSA-N 1 2 296.386 1.808 10 10 CDCELO CC[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCN1C[C@@H](C)O ZINC000180099540 261839955 /nfs/dbraw/zinc/83/99/55/261839955.db2.gz YNNKWRFJVJRGQE-DOMZBBRYSA-N 1 2 296.386 1.808 10 10 CDCELO O=C(NCc1cc(O)ccc1O)c1cccc2[nH+]ccn21 ZINC001637125996 1166726494 /nfs/dbraw/zinc/72/64/94/1166726494.db2.gz JVFMUIBETCKNIQ-UHFFFAOYSA-N 1 2 283.287 1.676 10 10 CDCELO CO[C@](C)(CO)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000848922239 753860262 /nfs/dbraw/zinc/86/02/62/753860262.db2.gz OBPAPCJJBCZZBW-LBPRGKRZSA-N 1 2 277.723 1.672 10 10 CDCELO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1c(F)ccc(O)c1O ZINC001457524390 969176044 /nfs/dbraw/zinc/17/60/44/969176044.db2.gz GRKXISDBURTKAX-QMMMGPOBSA-N 1 2 279.271 1.252 10 10 CDCELO Cc1cccc(C[N@@H+]2CC(F)(F)C[C@@H]2CO)c1O ZINC000364846779 524387693 /nfs/dbraw/zinc/38/76/93/524387693.db2.gz VHFDMRSUQKIKPV-LLVKDONJSA-N 1 2 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YLWUZVGLRXHOJQ-UHFFFAOYSA-N 1 2 286.734 1.895 10 10 CDCELO COC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703518043 768890419 /nfs/dbraw/zinc/89/04/19/768890419.db2.gz OQNOKQIBTINSED-VIFPVBQESA-N 1 2 286.278 1.601 10 10 CDCELO COC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703518043 768890421 /nfs/dbraw/zinc/89/04/21/768890421.db2.gz OQNOKQIBTINSED-VIFPVBQESA-N 1 2 286.278 1.601 10 10 CDCELO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205574 773112757 /nfs/dbraw/zinc/11/27/57/773112757.db2.gz HMWKIDVGZRASFW-SNVBAGLBSA-N 1 2 271.320 1.836 10 10 CDCELO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205574 773112764 /nfs/dbraw/zinc/11/27/64/773112764.db2.gz HMWKIDVGZRASFW-SNVBAGLBSA-N 1 2 271.320 1.836 10 10 CDCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCOC[C@@H](O)C2)c1O ZINC000295759332 371395548 /nfs/dbraw/zinc/39/55/48/371395548.db2.gz XVLNTKDGSWNMMC-LBPRGKRZSA-N 1 2 299.754 1.441 10 10 CDCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCOC[C@@H](O)C2)c1O ZINC000295759332 371395554 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ZINC000162641673 900042632 /nfs/dbraw/zinc/04/26/32/900042632.db2.gz GDTGMRZPMDRUAU-MRXNPFEDSA-N 1 2 261.774 1.904 10 10 CDCELO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC001141240756 936834084 /nfs/dbraw/zinc/83/40/84/936834084.db2.gz QJAXNSFOXBVPIY-LLVKDONJSA-N 1 2 298.306 1.400 10 10 CDCELO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC(=O)N1C ZINC000282814776 263078964 /nfs/dbraw/zinc/07/89/64/263078964.db2.gz SWNMEXXBSVYNNR-VIFPVBQESA-N 1 2 252.289 1.194 10 10 CDCELO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC(=O)N1C ZINC000282814776 263078965 /nfs/dbraw/zinc/07/89/65/263078965.db2.gz SWNMEXXBSVYNNR-VIFPVBQESA-N 1 2 252.289 1.194 10 10 CDCELO CC(C)(C(=O)NCc1ccccc1O)c1c[nH]c[nH+]1 ZINC000774063644 575850233 /nfs/dbraw/zinc/85/02/33/575850233.db2.gz IJVGKBCURKZHGH-UHFFFAOYSA-N 1 2 259.309 1.709 10 10 CDCELO CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cc[nH+]c1 ZINC000742249242 576592845 /nfs/dbraw/zinc/59/28/45/576592845.db2.gz SFJDZIVZKKTVQQ-UHFFFAOYSA-N 1 2 286.379 1.998 10 10 CDCELO Cc1cc(O)c(C[N@@H+]2CCN(CCO)[C@@H](C)C2)c(Cl)c1 ZINC000840939192 617624425 /nfs/dbraw/zinc/62/44/25/617624425.db2.gz LGSJMIBOSYPTPO-LBPRGKRZSA-N 1 2 298.814 1.852 10 10 CDCELO Cc1cc(O)c(C[N@H+]2CCN(CCO)[C@@H](C)C2)c(Cl)c1 ZINC000840939192 617624428 /nfs/dbraw/zinc/62/44/28/617624428.db2.gz LGSJMIBOSYPTPO-LBPRGKRZSA-N 1 2 298.814 1.852 10 10 CDCELO O=C1C[C@]2(CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)CN1 ZINC000894592973 618985499 /nfs/dbraw/zinc/98/54/99/618985499.db2.gz NKAGTJFAMQRDCY-CQSZACIVSA-N 1 2 282.290 1.382 10 10 CDCELO O=C1C[C@]2(CC[N@H+](Cc3cc(F)cc(F)c3O)C2)CN1 ZINC000894592973 618985502 /nfs/dbraw/zinc/98/55/02/618985502.db2.gz NKAGTJFAMQRDCY-CQSZACIVSA-N 1 2 282.290 1.382 10 10 CDCELO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928705367 620504047 /nfs/dbraw/zinc/50/40/47/620504047.db2.gz HRXPMFCSAQRCCZ-NXEZZACHSA-N 1 2 289.310 1.685 10 10 CDCELO C[C@H](O)[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000840978109 782778564 /nfs/dbraw/zinc/77/85/64/782778564.db2.gz LBWFLKWTSAZNDP-TVQRCGJNSA-N 1 2 255.289 1.113 10 10 CDCELO C[C@H](O)[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000840978109 782778576 /nfs/dbraw/zinc/77/85/76/782778576.db2.gz LBWFLKWTSAZNDP-TVQRCGJNSA-N 1 2 255.289 1.113 10 10 CDCELO Oc1c(C[NH2+]C[C@H](O)C(F)(F)F)ccc(F)c1F ZINC000703233716 780548548 /nfs/dbraw/zinc/54/85/48/780548548.db2.gz MLJJQCKYYVCEBQ-ZETCQYMHSA-N 1 2 271.185 1.683 10 10 CDCELO Fc1cc(C[NH2+]Cc2cnn[nH]2)ccc1N1CCOCC1 ZINC000858197691 928819120 /nfs/dbraw/zinc/81/91/20/928819120.db2.gz GHJCYCLJATUEHC-UHFFFAOYSA-N 1 2 291.330 1.070 10 10 CDCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1O ZINC000185176083 357518424 /nfs/dbraw/zinc/51/84/24/357518424.db2.gz IIFKKOIMKRCMHG-NEPJUHHUSA-N 1 2 299.754 1.176 10 10 CDCELO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1O ZINC000185176083 357518425 /nfs/dbraw/zinc/51/84/25/357518425.db2.gz IIFKKOIMKRCMHG-NEPJUHHUSA-N 1 2 299.754 1.176 10 10 CDCELO O=C1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)CN1 ZINC000279535352 527025278 /nfs/dbraw/zinc/02/52/78/527025278.db2.gz ZWAPNHPKFKNPFR-AWEZNQCLSA-N 1 2 280.755 1.758 10 10 CDCELO O=C1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)CN1 ZINC000279535352 527025283 /nfs/dbraw/zinc/02/52/83/527025283.db2.gz ZWAPNHPKFKNPFR-AWEZNQCLSA-N 1 2 280.755 1.758 10 10 CDCELO COC(=O)[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1O ZINC000895588954 619742197 /nfs/dbraw/zinc/74/21/97/619742197.db2.gz BRALNBVLBILRDA-AWEZNQCLSA-N 1 2 293.363 1.840 10 10 CDCELO Oc1ccc(Cl)c(F)c1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895652985 619790026 /nfs/dbraw/zinc/79/00/26/619790026.db2.gz KLUKPIZYZDONDB-JMCQJSRRSA-N 1 2 257.692 1.751 10 10 CDCELO Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895652985 619790032 /nfs/dbraw/zinc/79/00/32/619790032.db2.gz KLUKPIZYZDONDB-JMCQJSRRSA-N 1 2 257.692 1.751 10 10 CDCELO CN1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2O)C1=O ZINC000703541198 922737289 /nfs/dbraw/zinc/73/72/89/922737289.db2.gz LYRIVQLPLPGHOZ-JTQLQIEISA-N 1 2 270.279 1.333 10 10 CDCELO CN1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2O)C1=O ZINC000703541198 922737302 /nfs/dbraw/zinc/73/73/02/922737302.db2.gz LYRIVQLPLPGHOZ-JTQLQIEISA-N 1 2 270.279 1.333 10 10 CDCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1O ZINC000880417430 929671435 /nfs/dbraw/zinc/67/14/35/929671435.db2.gz NCHICHLKEMHVSP-QMTHXVAHSA-N 1 2 281.739 1.815 10 10 CDCELO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1O ZINC000880417430 929671439 /nfs/dbraw/zinc/67/14/39/929671439.db2.gz NCHICHLKEMHVSP-QMTHXVAHSA-N 1 2 281.739 1.815 10 10 CDCELO CCN(C)c1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000815109393 929947622 /nfs/dbraw/zinc/94/76/22/929947622.db2.gz BDICXVSLTWROSJ-CYBMUJFWSA-N 1 2 275.396 1.805 10 10 CDCELO CCN(C)c1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000815109393 929947627 /nfs/dbraw/zinc/94/76/27/929947627.db2.gz BDICXVSLTWROSJ-CYBMUJFWSA-N 1 2 275.396 1.805 10 10 CDCELO Cc1[nH]c(CNC(=O)c2cccc(O)c2O)[nH+]c1C ZINC001137260394 931396881 /nfs/dbraw/zinc/39/68/81/931396881.db2.gz FHBNWTTUZUKUHD-UHFFFAOYSA-N 1 2 261.281 1.368 10 10 CDCELO O=C(CCCn1cc[nH+]c1)NCc1c(O)cccc1O ZINC001472063449 970558801 /nfs/dbraw/zinc/55/88/01/970558801.db2.gz KRNMFRBBAZPFDH-UHFFFAOYSA-N 1 2 275.308 1.391 10 10 CDCELO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000295348467 371230698 /nfs/dbraw/zinc/23/06/98/371230698.db2.gz NBNYPSOFYJZSSJ-NSHDSACASA-N 1 2 286.734 1.895 10 10 CDCELO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000295348467 371230706 /nfs/dbraw/zinc/23/07/06/371230706.db2.gz NBNYPSOFYJZSSJ-NSHDSACASA-N 1 2 286.734 1.895 10 10 CDCELO COCC[N@@H+]1CCN(Cc2ccccc2O)C[C@@H]1C ZINC000179571682 391211641 /nfs/dbraw/zinc/21/16/41/391211641.db2.gz LBYOGFZEOKQBQV-ZDUSSCGKSA-N 1 2 264.369 1.545 10 10 CDCELO COCC[N@H+]1CCN(Cc2ccccc2O)C[C@@H]1C ZINC000179571682 391211642 /nfs/dbraw/zinc/21/16/42/391211642.db2.gz LBYOGFZEOKQBQV-ZDUSSCGKSA-N 1 2 264.369 1.545 10 10 CDCELO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H](C(N)=O)O1 ZINC000180726820 329222556 /nfs/dbraw/zinc/22/25/56/329222556.db2.gz OEGOVWMRPDOFTD-LDYMZIIASA-N 1 2 284.743 1.120 10 10 CDCELO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H](C(N)=O)O1 ZINC000180726820 329222558 /nfs/dbraw/zinc/22/25/58/329222558.db2.gz OEGOVWMRPDOFTD-LDYMZIIASA-N 1 2 284.743 1.120 10 10 CDCELO Cc1nnc([C@@H]2C[N@H+](Cc3ccccc3O)CCO2)[nH]1 ZINC000179583326 329210123 /nfs/dbraw/zinc/21/01/23/329210123.db2.gz IVSRBOOFMHNACQ-ZDUSSCGKSA-N 1 2 274.324 1.392 10 10 CDCELO Cc1nnc([C@@H]2C[N@@H+](Cc3ccccc3O)CCO2)[nH]1 ZINC000179583326 329210124 /nfs/dbraw/zinc/21/01/24/329210124.db2.gz IVSRBOOFMHNACQ-ZDUSSCGKSA-N 1 2 274.324 1.392 10 10 CDCELO Cc1nc([C@@H]2C[N@H+](Cc3ccccc3O)CCO2)n[nH]1 ZINC000179583326 329210126 /nfs/dbraw/zinc/21/01/26/329210126.db2.gz IVSRBOOFMHNACQ-ZDUSSCGKSA-N 1 2 274.324 1.392 10 10 CDCELO Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3O)CCO2)n[nH]1 ZINC000179583326 329210127 /nfs/dbraw/zinc/21/01/27/329210127.db2.gz IVSRBOOFMHNACQ-ZDUSSCGKSA-N 1 2 274.324 1.392 10 10 CDCELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1=CC(=O)CS1 ZINC000764898974 575962607 /nfs/dbraw/zinc/96/26/07/575962607.db2.gz ZGEHFPNEPNSNJX-ZETCQYMHSA-N 1 2 263.322 1.464 10 10 CDCELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1=CC(=O)CS1 ZINC000764898974 575962608 /nfs/dbraw/zinc/96/26/08/575962608.db2.gz ZGEHFPNEPNSNJX-ZETCQYMHSA-N 1 2 263.322 1.464 10 10 CDCELO COc1ccc(O)c(CNc2nc(N(C)C)nc(C)[nH+]2)c1 ZINC000768521869 576292227 /nfs/dbraw/zinc/29/22/27/576292227.db2.gz JOWLOVDXTQIKFJ-UHFFFAOYSA-N 1 2 289.339 1.572 10 10 CDCELO COc1ccc(O)c(CNc2nc(C)[nH+]c(N(C)C)n2)c1 ZINC000768521869 576292228 /nfs/dbraw/zinc/29/22/28/576292228.db2.gz JOWLOVDXTQIKFJ-UHFFFAOYSA-N 1 2 289.339 1.572 10 10 CDCELO C[C@H](O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000840978280 617985926 /nfs/dbraw/zinc/98/59/26/617985926.db2.gz MUQDUCPSZQBRJV-XHDPSFHLSA-N 1 2 282.359 1.473 10 10 CDCELO C[C@H](O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000840978280 617985936 /nfs/dbraw/zinc/98/59/36/617985936.db2.gz MUQDUCPSZQBRJV-XHDPSFHLSA-N 1 2 282.359 1.473 10 10 CDCELO C[C@@H]1C[NH2+]C[C@H]1NCc1cccc(Br)c1O ZINC000903960548 626160377 /nfs/dbraw/zinc/16/03/77/626160377.db2.gz OTJLDDYLRXXARI-LDYMZIIASA-N 1 2 285.185 1.852 10 10 CDCELO C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000903960548 626160380 /nfs/dbraw/zinc/16/03/80/626160380.db2.gz OTJLDDYLRXXARI-LDYMZIIASA-N 1 2 285.185 1.852 10 10 CDCELO Cc1cc(O)c(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)cc1Cl ZINC000826123436 785819276 /nfs/dbraw/zinc/81/92/76/785819276.db2.gz NPSMIETZGGRGNT-QMTHXVAHSA-N 1 2 285.771 1.936 10 10 CDCELO Cc1cc(O)c(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)cc1Cl ZINC000826123436 785819277 /nfs/dbraw/zinc/81/92/77/785819277.db2.gz NPSMIETZGGRGNT-QMTHXVAHSA-N 1 2 285.771 1.936 10 10 CDCELO CN(C)c1ccc(/C=C/C[N@@H+]2CCNC(=O)C2(C)C)cc1 ZINC000835025290 785922156 /nfs/dbraw/zinc/92/21/56/785922156.db2.gz DFHLBVDJFZNGPA-AATRIKPKSA-N 1 2 287.407 1.976 10 10 CDCELO CN(C)c1ccc(/C=C/C[N@H+]2CCNC(=O)C2(C)C)cc1 ZINC000835025290 785922165 /nfs/dbraw/zinc/92/21/65/785922165.db2.gz DFHLBVDJFZNGPA-AATRIKPKSA-N 1 2 287.407 1.976 10 10 CDCELO Cc1cccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1O ZINC000841891402 788320703 /nfs/dbraw/zinc/32/07/03/788320703.db2.gz KVZHPEVNAXCQLF-KGLIPLIRSA-N 1 2 278.396 1.588 10 10 CDCELO Cc1cccc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1O ZINC000841891402 788320715 /nfs/dbraw/zinc/32/07/15/788320715.db2.gz KVZHPEVNAXCQLF-KGLIPLIRSA-N 1 2 278.396 1.588 10 10 CDCELO COc1cccc(CNC(=O)c2cccc3[nH+]ccn32)c1O ZINC001137473294 936605802 /nfs/dbraw/zinc/60/58/02/936605802.db2.gz FJNMXWVXTKUDHZ-UHFFFAOYSA-N 1 2 297.314 1.979 10 10 CDCELO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001141645805 936914518 /nfs/dbraw/zinc/91/45/18/936914518.db2.gz QMAPYIZFQNGNKY-SNVBAGLBSA-N 1 2 275.308 1.042 10 10 CDCELO COC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000070460835 379388760 /nfs/dbraw/zinc/38/87/60/379388760.db2.gz XFANXUAWMGQTIP-CQSZACIVSA-N 1 2 290.363 1.317 10 10 CDCELO COC(=O)C1=C(O)CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000070460835 379388764 /nfs/dbraw/zinc/38/87/64/379388764.db2.gz XFANXUAWMGQTIP-CQSZACIVSA-N 1 2 290.363 1.317 10 10 CDCELO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCC1=O ZINC000070460835 379388773 /nfs/dbraw/zinc/38/87/73/379388773.db2.gz XFANXUAWMGQTIP-CQSZACIVSA-N 1 2 290.363 1.317 10 10 CDCELO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCC1=O ZINC000070460835 379388781 /nfs/dbraw/zinc/38/87/81/379388781.db2.gz XFANXUAWMGQTIP-CQSZACIVSA-N 1 2 290.363 1.317 10 10 CDCELO COC(=O)[C@@H]([NH2+]Cc1cc(C)ccc1O)C(C)C ZINC000071407044 176156159 /nfs/dbraw/zinc/15/61/59/176156159.db2.gz RBHHVVZYZMUKPP-ZDUSSCGKSA-N 1 2 251.326 1.988 10 10 CDCELO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895652198 619788359 /nfs/dbraw/zinc/78/83/59/619788359.db2.gz GDYQWKSSLMYZKD-UFBFGSQYSA-N 1 2 257.692 1.751 10 10 CDCELO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895652198 619788364 /nfs/dbraw/zinc/78/83/64/619788364.db2.gz GDYQWKSSLMYZKD-UFBFGSQYSA-N 1 2 257.692 1.751 10 10 CDCELO Cc1nnc([C@H](C)[NH2+]Cc2cccc(F)c2O)[nH]1 ZINC000392471676 1187281848 /nfs/dbraw/zinc/28/18/48/1187281848.db2.gz 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COCC[N@H+]1CCN(C(=O)C2=CC(=O)CS2)C(C)(C)C1 ZINC000855029047 832093621 /nfs/dbraw/zinc/09/36/21/832093621.db2.gz DHLONHJGNFYBEE-UHFFFAOYSA-N 1 2 298.408 1.637 10 10 CDCELO O=C(Cc1ccc(O)c(O)c1)NCCCn1cc[nH+]c1 ZINC001290096462 954029937 /nfs/dbraw/zinc/02/99/37/954029937.db2.gz AKWKQIDPERNKPP-UHFFFAOYSA-N 1 2 275.308 1.043 10 10 CDCELO CC[C@H](CO)[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000271767131 364998330 /nfs/dbraw/zinc/99/83/30/364998330.db2.gz FPLYXNKGEOXJEM-CYBMUJFWSA-N 1 2 298.814 1.934 10 10 CDCELO CNC(=O)C1C[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000297351770 371984692 /nfs/dbraw/zinc/98/46/92/371984692.db2.gz GNQRHSKWOUNQFR-UHFFFAOYSA-N 1 2 272.707 1.363 10 10 CDCELO O=[N+]([O-])c1ccc(O)c(CN2CC[NH+](CC3CC3)CC2)c1 ZINC000069627549 378437977 /nfs/dbraw/zinc/43/79/77/378437977.db2.gz VGWASNDWRBIACM-UHFFFAOYSA-N 1 2 291.351 1.828 10 10 CDCELO [NH3+][C@H](CO)c1c(O)c(F)cc(Br)c1F ZINC000072199438 295331915 /nfs/dbraw/zinc/33/19/15/295331915.db2.gz MXCXQWDCBUUKTP-RXMQYKEDSA-N 1 2 268.057 1.425 10 10 CDCELO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cccc(O)c1O ZINC000898500508 621775623 /nfs/dbraw/zinc/77/56/23/621775623.db2.gz XZONWRYXLJDDPF-JTQLQIEISA-N 1 2 282.315 1.262 10 10 CDCELO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cccc(O)c1O ZINC000898500508 621775626 /nfs/dbraw/zinc/77/56/26/621775626.db2.gz XZONWRYXLJDDPF-JTQLQIEISA-N 1 2 282.315 1.262 10 10 CDCELO O=C(C1=CC(=O)CS1)N1CC([NH+]2CCCC2)C1 ZINC000898611172 621818408 /nfs/dbraw/zinc/81/84/08/621818408.db2.gz RQDIIUQIFOTOKK-UHFFFAOYSA-N 1 2 252.339 1.374 10 10 CDCELO C[C@H](C(=O)NCc1c(O)cccc1F)n1cc[nH+]c1 ZINC001635360624 1166581036 /nfs/dbraw/zinc/58/10/36/1166581036.db2.gz OICWKUXZFCXXJR-SECBINFHSA-N 1 2 263.272 1.605 10 10 CDCELO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(F)cc(F)c1O ZINC000858434831 841540410 /nfs/dbraw/zinc/54/04/10/841540410.db2.gz QRWKHQJSCPXLHN-PRHODGIISA-N 1 2 297.305 1.788 10 10 CDCELO O=C(NCc1ccc(O)cc1O)c1cc2c[nH+]ccc2[nH]1 ZINC001557085068 965143170 /nfs/dbraw/zinc/14/31/70/965143170.db2.gz AJQLBFNOJHBBEP-UHFFFAOYSA-N 1 2 283.287 1.904 10 10 CDCELO COC(=O)[C@@H]([NH2+]Cc1cccc(OC)c1O)C(C)C ZINC000035346502 172138222 /nfs/dbraw/zinc/13/82/22/172138222.db2.gz ARHJQIXYLATKQW-LBPRGKRZSA-N 1 2 267.325 1.688 10 10 CDCELO O=C1CC[C@@H](C[NH2+]Cc2cccc(Br)c2O)N1 ZINC000079927002 538838672 /nfs/dbraw/zinc/83/86/72/538838672.db2.gz YFLGJONZROSLCU-VIFPVBQESA-N 1 2 299.168 1.523 10 10 CDCELO O=C(Cc1ccc(O)c(O)c1)NCCCCn1cc[nH+]c1 ZINC001628261692 1166057543 /nfs/dbraw/zinc/05/75/43/1166057543.db2.gz KWSXNOKTCVRAOT-UHFFFAOYSA-N 1 2 289.335 1.433 10 10 CDCELO O=C(Cc1c[nH]c[nH+]1)NCc1cc(Cl)ccc1O ZINC001640924862 1167060757 /nfs/dbraw/zinc/06/07/57/1167060757.db2.gz WEAWAJVGPQBZPJ-UHFFFAOYSA-N 1 2 265.700 1.628 10 10 CDCELO O=C(NCc1c(O)cccc1O)c1cccc2[nH+]ccn21 ZINC001597573756 1174281438 /nfs/dbraw/zinc/28/14/38/1174281438.db2.gz FOXFQLDVZMFCAE-UHFFFAOYSA-N 1 2 283.287 1.676 10 10 CDCELO CC(C)NC(=O)C[NH2+]Cc1ccc(F)c(F)c1O ZINC000703330058 844593252 /nfs/dbraw/zinc/59/32/52/844593252.db2.gz VDNLJOIGBMGLTA-UHFFFAOYSA-N 1 2 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1166645338 /nfs/dbraw/zinc/64/53/38/1166645338.db2.gz DVWWUIMAAQIZSH-CJHWANRJSA-N 1 2 285.303 1.049 10 10 CDCELO O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCn2c[nH+]cc21 ZINC001585868811 1172920454 /nfs/dbraw/zinc/92/04/54/1172920454.db2.gz RTZAAGXZFOQLKA-SNVBAGLBSA-N 1 2 273.292 1.098 10 10 CDCELO Oc1ccc(F)cc1C[N@@H+]1CCc2nccnc2C1 ZINC000827691712 698846575 /nfs/dbraw/zinc/84/65/75/698846575.db2.gz AGOSFHRATPAPEK-UHFFFAOYSA-N 1 2 259.284 1.880 10 10 CDCELO Oc1ccc(F)cc1C[N@H+]1CCc2nccnc2C1 ZINC000827691712 698846578 /nfs/dbraw/zinc/84/65/78/698846578.db2.gz AGOSFHRATPAPEK-UHFFFAOYSA-N 1 2 259.284 1.880 10 10 CDCELO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000846046742 704891937 /nfs/dbraw/zinc/89/19/37/704891937.db2.gz OOUCHGFODYJKPU-DTORHVGOSA-N 1 2 299.168 1.508 10 10 CDCELO CC(=O)c1cc(F)cc(C[NH+]2CC(C)(C(N)=O)C2)c1O ZINC000829054297 705044951 /nfs/dbraw/zinc/04/49/51/705044951.db2.gz OUALGPVXNHFAGB-UHFFFAOYSA-N 1 2 280.299 1.041 10 10 CDCELO CC(C)[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](O)CO ZINC000817417374 848038868 /nfs/dbraw/zinc/03/88/68/848038868.db2.gz DSZFKZJHZWWHMK-LLVKDONJSA-N 1 2 273.760 1.609 10 10 CDCELO CC(C)[N@H+](Cc1cccc(Cl)c1O)C[C@@H](O)CO ZINC000817417374 848038877 /nfs/dbraw/zinc/03/88/77/848038877.db2.gz DSZFKZJHZWWHMK-LLVKDONJSA-N 1 2 273.760 1.609 10 10 CDCELO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C1=CC(=O)CS1 ZINC000928084374 848777427 /nfs/dbraw/zinc/77/74/27/848777427.db2.gz WVSKPJBGMPIZSF-MNOVXSKESA-N 1 2 298.433 1.763 10 10 CDCELO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1=CC(=O)CS1 ZINC000928084374 848777420 /nfs/dbraw/zinc/77/74/20/848777420.db2.gz WVSKPJBGMPIZSF-MNOVXSKESA-N 1 2 298.433 1.763 10 10 CDCELO CC[N@H+](CC(=O)NC)Cc1c(O)cc(C)cc1Cl ZINC000840911084 849723136 /nfs/dbraw/zinc/72/31/36/849723136.db2.gz WSRAZWRTUDWEGB-UHFFFAOYSA-N 1 2 270.760 1.922 10 10 CDCELO CC[N@@H+](CC(=O)NC)Cc1c(O)cc(C)cc1Cl ZINC000840911084 849723151 /nfs/dbraw/zinc/72/31/51/849723151.db2.gz WSRAZWRTUDWEGB-UHFFFAOYSA-N 1 2 270.760 1.922 10 10 CDCELO Cn1c[nH+]cc1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871204671 849790569 /nfs/dbraw/zinc/79/05/69/849790569.db2.gz OLDQWMICUDQONI-UHFFFAOYSA-N 1 2 257.293 1.211 10 10 CDCELO C[S@](=O)C1(C[NH2+]Cc2ccc(F)c(F)c2O)CC1 ZINC000703330352 850282598 /nfs/dbraw/zinc/28/25/98/850282598.db2.gz WSEZGFBVHCRMJE-SFHVURJKSA-N 1 2 275.320 1.671 10 10 CDCELO COC[C@](C)(CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000175851110 391141897 /nfs/dbraw/zinc/14/18/97/391141897.db2.gz SVVRCKOBGFBUBD-ZDUSSCGKSA-N 1 2 284.312 1.178 10 10 CDCELO C[NH+]1CCN(C2=NC(=O)/C(=C/c3ccccn3)S2)CC1 ZINC000025180830 277103435 /nfs/dbraw/zinc/10/34/35/277103435.db2.gz BTHVNZXMBKEJRB-BENRWUELSA-N 1 2 288.376 1.299 10 10 CDCELO COC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000071264742 522421251 /nfs/dbraw/zinc/42/12/51/522421251.db2.gz WYGGFQZDEDFHFS-VIFPVBQESA-N 1 2 280.151 1.796 10 10 CDCELO C[C@@H]([NH2+]Cc1cn(C)nn1)c1ccc(F)cc1O ZINC000389840544 705573890 /nfs/dbraw/zinc/57/38/90/705573890.db2.gz VBQCRKLNEKMXSE-MRVPVSSYSA-N 1 2 250.277 1.511 10 10 CDCELO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000873828735 705987342 /nfs/dbraw/zinc/98/73/42/705987342.db2.gz DILQEYXQTKTKSU-ZIAGYGMSSA-N 1 2 284.363 1.896 10 10 CDCELO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000873828735 705987343 /nfs/dbraw/zinc/98/73/43/705987343.db2.gz DILQEYXQTKTKSU-ZIAGYGMSSA-N 1 2 284.363 1.896 10 10 CDCELO COCCCOC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000839134676 706195860 /nfs/dbraw/zinc/19/58/60/706195860.db2.gz SKLMUPINJTXBST-UHFFFAOYSA-N 1 2 269.316 1.769 10 10 CDCELO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703543972 711514865 /nfs/dbraw/zinc/51/48/65/711514865.db2.gz XRZJFUIFRXDGBL-VIFPVBQESA-N 1 2 270.279 1.238 10 10 CDCELO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703543972 711514866 /nfs/dbraw/zinc/51/48/66/711514866.db2.gz XRZJFUIFRXDGBL-VIFPVBQESA-N 1 2 270.279 1.238 10 10 CDCELO CC[C@@H]([NH2+]Cc1nc(COC)n[nH]1)c1ccccc1O ZINC000850515422 927439112 /nfs/dbraw/zinc/43/91/12/927439112.db2.gz XVSXYGPVBSTYLZ-LLVKDONJSA-N 1 2 276.340 1.898 10 10 CDCELO Cn1c[nH+]cc1CCC(=O)NCc1c(O)cccc1O ZINC001456234101 968910916 /nfs/dbraw/zinc/91/09/16/968910916.db2.gz HTNIGGYKCXXUQC-UHFFFAOYSA-N 1 2 275.308 1.080 10 10 CDCELO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(F)cc(F)c1O ZINC000846193189 711884477 /nfs/dbraw/zinc/88/44/77/711884477.db2.gz KNLZKLUZHBABQG-YMTOWFKASA-N 1 2 287.306 1.863 10 10 CDCELO Cc1cc(N(C)C)ccc1CNc1nc(C)[nH+]c(N)n1 ZINC000865542894 711898819 /nfs/dbraw/zinc/89/88/19/711898819.db2.gz SNGZANYHGIQILL-UHFFFAOYSA-N 1 2 272.356 1.749 10 10 CDCELO Cc1cc(N(C)C)ccc1CNc1nc(N)nc(C)[nH+]1 ZINC000865542894 711898820 /nfs/dbraw/zinc/89/88/20/711898820.db2.gz SNGZANYHGIQILL-UHFFFAOYSA-N 1 2 272.356 1.749 10 10 CDCELO CN(C)c1ccc(/C=C\C[N@@H+]2CC(=O)NCC2(C)C)cc1 ZINC000835049906 712083108 /nfs/dbraw/zinc/08/31/08/712083108.db2.gz NQQFDNYRNPHYOI-WAYWQWQTSA-N 1 2 287.407 1.976 10 10 CDCELO CN(C)c1ccc(/C=C\C[N@H+]2CC(=O)NCC2(C)C)cc1 ZINC000835049906 712083111 /nfs/dbraw/zinc/08/31/11/712083111.db2.gz NQQFDNYRNPHYOI-WAYWQWQTSA-N 1 2 287.407 1.976 10 10 CDCELO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000846046761 712472045 /nfs/dbraw/zinc/47/20/45/712472045.db2.gz ALQYEHUEPWKEKY-VHSXEESVSA-N 1 2 289.734 1.766 10 10 CDCELO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000846046761 712472048 /nfs/dbraw/zinc/47/20/48/712472048.db2.gz ALQYEHUEPWKEKY-VHSXEESVSA-N 1 2 289.734 1.766 10 10 CDCELO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000703417089 712717124 /nfs/dbraw/zinc/71/71/24/712717124.db2.gz IBVOPVPASWHXME-QMMMGPOBSA-N 1 2 272.295 1.673 10 10 CDCELO CCNC(=O)C1C[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000839139794 936906308 /nfs/dbraw/zinc/90/63/08/936906308.db2.gz XABVOPDXHOEKOM-UHFFFAOYSA-N 1 2 286.734 1.753 10 10 CDCELO Cc1cc(O)c(C[NH2+]Cc2cnn[nH]2)c(Cl)c1 ZINC000858197189 928818704 /nfs/dbraw/zinc/81/87/04/928818704.db2.gz FWXULLUOFPTCMJ-UHFFFAOYSA-N 1 2 252.705 1.762 10 10 CDCELO C[C@H]([NH2+]C[C@H]1COCCN1C)c1cc(F)cc(F)c1O ZINC000858522845 928879751 /nfs/dbraw/zinc/87/97/51/928879751.db2.gz IQPNJLOOTJEQEX-ONGXEEELSA-N 1 2 286.322 1.652 10 10 CDCELO Cn1c[nH+]cc1CCC(=O)NCc1c(O)cccc1F ZINC000928707680 933174535 /nfs/dbraw/zinc/17/45/35/933174535.db2.gz GJFADKLITTUWDO-UHFFFAOYSA-N 1 2 277.299 1.514 10 10 CDCELO CC[C@@H](CO)N1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769503478 575353547 /nfs/dbraw/zinc/35/35/47/575353547.db2.gz ZPCHSVOTJRVCEU-ZDUSSCGKSA-N 1 2 294.395 1.289 10 10 CDCELO O=C(c1cccc(O)c1O)N1CC[NH+](C2CC2)CC1 ZINC000126289657 1165960128 /nfs/dbraw/zinc/96/01/28/1165960128.db2.gz PLYAWVAXZDTMIN-UHFFFAOYSA-N 1 2 262.309 1.018 10 10 CDCELO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000826967337 936457484 /nfs/dbraw/zinc/45/74/84/936457484.db2.gz NNWNAXDYOUGZDE-CMPLNLGQSA-N 1 2 285.727 1.466 10 10 CDCELO C[C@@H]([NH2+]Cc1cnn(C)n1)c1ccc(F)cc1O ZINC000389818601 936648889 /nfs/dbraw/zinc/64/88/89/936648889.db2.gz WEPDTEBPNSSSJG-MRVPVSSYSA-N 1 2 250.277 1.511 10 10 CDCELO O=C(/C=C\C[NH+]1CCOCC1)NCc1c(O)cccc1F ZINC000928705704 933172887 /nfs/dbraw/zinc/17/28/87/933172887.db2.gz LFRCSDSOUAMASE-DJWKRKHSSA-N 1 2 294.326 1.036 10 10 CDCELO C[C@@H](CC(=O)NCc1cc(O)ccc1O)n1cc[nH+]c1 ZINC001455355326 968691339 /nfs/dbraw/zinc/69/13/39/968691339.db2.gz SXBJWCWZOPEKGE-JTQLQIEISA-N 1 2 275.308 1.562 10 10 CDCELO CCc1[nH]c(CNC(=O)C2=CC(=O)CS2)c[nH+]1 ZINC001472020292 970541726 /nfs/dbraw/zinc/54/17/26/970541726.db2.gz FYEPWOMHUCMHNM-UHFFFAOYSA-N 1 2 251.311 1.669 10 10 CDCELO CCc1[nH]cc(CNC(=O)C2=CC(=O)CS2)[nH+]1 ZINC001472020292 970541731 /nfs/dbraw/zinc/54/17/31/970541731.db2.gz FYEPWOMHUCMHNM-UHFFFAOYSA-N 1 2 251.311 1.669 10 10 CDCELO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(N(C)C)cc1C ZINC001585786018 1172913293 /nfs/dbraw/zinc/91/32/93/1172913293.db2.gz AKOKLNUOFBFPIO-UHFFFAOYSA-N 1 2 286.379 1.951 10 10 CDCELO C[C@H](O)[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000840978370 617986982 /nfs/dbraw/zinc/98/69/82/617986982.db2.gz NMYHOVYOFNXNPI-RMLGOWPTSA-N 1 2 290.407 1.847 10 10 CDCELO C[C@H](O)[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000840978370 617986989 /nfs/dbraw/zinc/98/69/89/617986989.db2.gz NMYHOVYOFNXNPI-RMLGOWPTSA-N 1 2 290.407 1.847 10 10 CDCELO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001624955147 1165876504 /nfs/dbraw/zinc/87/65/04/1165876504.db2.gz SMLVGMFILHVGBT-SECBINFHSA-N 1 2 289.335 1.419 10 10 CDCELO