smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001236871138 916997919 /nfs/dbraw/zinc/99/79/19/916997919.db2.gz XSDJHHQUKGKKCX-NSHDSACASA-N 1 2 252.314 1.260 20 10 CDCDLO CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001236871138 916997930 /nfs/dbraw/zinc/99/79/30/916997930.db2.gz XSDJHHQUKGKKCX-NSHDSACASA-N 1 2 252.314 1.260 20 10 CDCDLO OC[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C[C@H]1O ZINC001237808628 917630746 /nfs/dbraw/zinc/63/07/46/917630746.db2.gz VBYZNDRYBOMYFI-PRHODGIISA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C[C@H]1O ZINC001237808628 917630754 /nfs/dbraw/zinc/63/07/54/917630754.db2.gz VBYZNDRYBOMYFI-PRHODGIISA-N 1 2 289.734 1.360 20 10 CDCDLO CC(=O)NC1C[NH+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358092 936525926 /nfs/dbraw/zinc/52/59/26/936525926.db2.gz MDIHIPJTVBZDII-UHFFFAOYSA-N 1 2 273.380 1.389 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1O ZINC000396000851 936699300 /nfs/dbraw/zinc/69/93/00/936699300.db2.gz NCIKIMTVBWPKPA-CHWSQXEVSA-N 1 2 299.754 1.440 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1O ZINC000396000851 936699302 /nfs/dbraw/zinc/69/93/02/936699302.db2.gz NCIKIMTVBWPKPA-CHWSQXEVSA-N 1 2 299.754 1.440 20 10 CDCDLO Cn1cnc2c1C[N@H+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141146108 936820165 /nfs/dbraw/zinc/82/01/65/936820165.db2.gz KYGNXXCHTKWZLW-UHFFFAOYSA-N 1 2 298.390 1.807 20 10 CDCDLO Cn1cnc2c1C[N@@H+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141146108 936820167 /nfs/dbraw/zinc/82/01/67/936820167.db2.gz KYGNXXCHTKWZLW-UHFFFAOYSA-N 1 2 298.390 1.807 20 10 CDCDLO Oc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1O ZINC001203874410 939709785 /nfs/dbraw/zinc/70/97/85/939709785.db2.gz WTSIWQIVTHZKOU-UHFFFAOYSA-N 1 2 285.347 1.815 20 10 CDCDLO COc1cc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cc(O)c1O ZINC001204343787 939757822 /nfs/dbraw/zinc/75/78/22/939757822.db2.gz AMKNYBZWZDITPY-NSHDSACASA-N 1 2 296.342 1.334 20 10 CDCDLO COc1cc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cc(O)c1O ZINC001204343787 939757823 /nfs/dbraw/zinc/75/78/23/939757823.db2.gz AMKNYBZWZDITPY-NSHDSACASA-N 1 2 296.342 1.334 20 10 CDCDLO Cn1nccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001206365756 940026262 /nfs/dbraw/zinc/02/62/62/940026262.db2.gz YHHXBRITMAFJIC-UHFFFAOYSA-N 1 2 273.336 1.780 20 10 CDCDLO Cn1nccc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001206365756 940026266 /nfs/dbraw/zinc/02/62/66/940026266.db2.gz YHHXBRITMAFJIC-UHFFFAOYSA-N 1 2 273.336 1.780 20 10 CDCDLO C[N@H+](Cc1cc(C(=O)[O-])ccc1O)C1CC[NH+](C)CC1 ZINC001231559316 942926795 /nfs/dbraw/zinc/92/67/95/942926795.db2.gz AEORBKYCUGMJCT-UHFFFAOYSA-N 1 2 278.352 1.616 20 10 CDCDLO C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C1CC[NH+](C)CC1 ZINC001231559316 942926800 /nfs/dbraw/zinc/92/68/00/942926800.db2.gz AEORBKYCUGMJCT-UHFFFAOYSA-N 1 2 278.352 1.616 20 10 CDCDLO CCOC1C[NH+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231849065 943028458 /nfs/dbraw/zinc/02/84/58/943028458.db2.gz NBYSQAPEVTWNCI-UHFFFAOYSA-N 1 2 264.369 1.982 20 10 CDCDLO C[N@H+](C1CN(Cc2cccc(Cl)c2O)C1)[C@@H]1CCOC1 ZINC001231912719 943052512 /nfs/dbraw/zinc/05/25/12/943052512.db2.gz UKKDXCCTWUEMGM-GFCCVEGCSA-N 1 2 296.798 1.951 20 10 CDCDLO C[N@@H+](C1CN(Cc2cccc(Cl)c2O)C1)[C@@H]1CCOC1 ZINC001231912719 943052521 /nfs/dbraw/zinc/05/25/21/943052521.db2.gz UKKDXCCTWUEMGM-GFCCVEGCSA-N 1 2 296.798 1.951 20 10 CDCDLO COCCn1ccc(-c2ccc3[nH+]ccn3c2)cc1=O ZINC001240220816 945732186 /nfs/dbraw/zinc/73/21/86/945732186.db2.gz BMWMRXPEOQURPP-UHFFFAOYSA-N 1 2 269.304 1.809 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000295054889 199322217 /nfs/dbraw/zinc/32/22/17/199322217.db2.gz PUZUUZCZTZAMQL-ZDUSSCGKSA-N 1 2 275.396 1.853 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000295054889 199322219 /nfs/dbraw/zinc/32/22/19/199322219.db2.gz PUZUUZCZTZAMQL-ZDUSSCGKSA-N 1 2 275.396 1.853 20 10 CDCDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cc(F)ccc1O ZINC000180070423 357241038 /nfs/dbraw/zinc/24/10/38/357241038.db2.gz JUBUDINVEZWAEM-ZDUSSCGKSA-N 1 2 266.316 1.488 20 10 CDCDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000179707450 357221933 /nfs/dbraw/zinc/22/19/33/357221933.db2.gz LKLBXFHFMUDOSB-MRXNPFEDSA-N 1 2 291.395 1.090 20 10 CDCDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000179707450 357221934 /nfs/dbraw/zinc/22/19/34/357221934.db2.gz LKLBXFHFMUDOSB-MRXNPFEDSA-N 1 2 291.395 1.090 20 10 CDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nncn2C)c1 ZINC000273394914 365491255 /nfs/dbraw/zinc/49/12/55/365491255.db2.gz LQNVGYJXOBRWEZ-SECBINFHSA-N 1 2 290.323 1.158 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000283006495 368142646 /nfs/dbraw/zinc/14/26/46/368142646.db2.gz LBLIWEINSMWRCQ-NOZJJQNGSA-N 1 2 299.754 1.808 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000283006495 368142653 /nfs/dbraw/zinc/14/26/53/368142653.db2.gz LBLIWEINSMWRCQ-NOZJJQNGSA-N 1 2 299.754 1.808 20 10 CDCDLO C[C@@H]([NH2+]CCOCCO)c1ccc(F)c(F)c1O ZINC000191186815 296125973 /nfs/dbraw/zinc/12/59/73/296125973.db2.gz XZHLYJWKPZMHMX-MRVPVSSYSA-N 1 2 261.268 1.330 20 10 CDCDLO O=S1(=O)CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124500565 375988626 /nfs/dbraw/zinc/98/86/26/375988626.db2.gz BGCWGJWSGKQVSW-VIFPVBQESA-N 1 2 275.757 1.322 20 10 CDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493594511 393215588 /nfs/dbraw/zinc/21/55/88/393215588.db2.gz ZRIGJECTOHMRIQ-UTCJRWHESA-N 1 2 298.346 1.915 20 10 CDCDLO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(F)c(F)c2O)n1 ZINC000276935354 328220251 /nfs/dbraw/zinc/22/02/51/328220251.db2.gz OUPXSLPVGJONKE-SSDOTTSWSA-N 1 2 282.294 1.990 20 10 CDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCn1cc[nH+]c1 ZINC000274887892 524893168 /nfs/dbraw/zinc/89/31/68/524893168.db2.gz CDZCPBUKETZUAP-NSHDSACASA-N 1 2 289.335 1.432 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[S@@](=O)C1 ZINC000277636351 524987340 /nfs/dbraw/zinc/98/73/40/524987340.db2.gz YDUQVNRROUAJDB-MLCYQJTMSA-N 1 2 271.357 1.732 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[S@@](=O)C1 ZINC000277636351 524987349 /nfs/dbraw/zinc/98/73/49/524987349.db2.gz YDUQVNRROUAJDB-MLCYQJTMSA-N 1 2 271.357 1.732 20 10 CDCDLO Nc1ccc(CC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000237886802 527474271 /nfs/dbraw/zinc/47/42/71/527474271.db2.gz WBRNXHAUIVAIAN-UHFFFAOYSA-N 1 2 284.363 1.872 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCN(CC)C(=O)C2)c(O)c1 ZINC000758014126 574914305 /nfs/dbraw/zinc/91/43/05/574914305.db2.gz CIHGSPCXKVCSPA-UHFFFAOYSA-N 1 2 278.352 1.455 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCN(CC)C(=O)C2)c(O)c1 ZINC000758014126 574914308 /nfs/dbraw/zinc/91/43/08/574914308.db2.gz CIHGSPCXKVCSPA-UHFFFAOYSA-N 1 2 278.352 1.455 20 10 CDCDLO CC[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774839984 575245970 /nfs/dbraw/zinc/24/59/70/575245970.db2.gz IBZCZPPRNNDWOU-NSHDSACASA-N 1 2 296.323 1.920 20 10 CDCDLO CC[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774839984 575245973 /nfs/dbraw/zinc/24/59/73/575245973.db2.gz IBZCZPPRNNDWOU-NSHDSACASA-N 1 2 296.323 1.920 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3cnnn3C)CC2)cc1 ZINC000768140095 576260136 /nfs/dbraw/zinc/26/01/36/576260136.db2.gz KIMOTRRDJPWROR-UHFFFAOYSA-N 1 2 287.367 1.146 20 10 CDCDLO C[C@@H]([NH2+]Cc1nncn1C)c1cc(F)cc(F)c1O ZINC000756400400 576989027 /nfs/dbraw/zinc/98/90/27/576989027.db2.gz KGSILPVFYMAKKF-SSDOTTSWSA-N 1 2 268.267 1.650 20 10 CDCDLO C[C@H]([NH2+]C[C@@H]1COCCO1)c1cc(F)cc(F)c1O ZINC000756433168 576990271 /nfs/dbraw/zinc/99/02/71/576990271.db2.gz AFYSJTDYSCALEC-WCBMZHEXSA-N 1 2 273.279 1.736 20 10 CDCDLO C[C@H]1C[C@H]([NH2+]Cc2ncn(C)n2)c2c1c(F)ccc2O ZINC000756778871 577004146 /nfs/dbraw/zinc/00/41/46/577004146.db2.gz GDHVJNQVMJLXDZ-WPRPVWTQSA-N 1 2 276.315 1.998 20 10 CDCDLO C[C@@H]([NH2+]CCCOCCO)c1cc(F)cc(F)c1O ZINC000757638923 577047963 /nfs/dbraw/zinc/04/79/63/577047963.db2.gz SWTBSJQXCWRMSQ-SECBINFHSA-N 1 2 275.295 1.720 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CC[C@H]1O ZINC000840974909 678690633 /nfs/dbraw/zinc/69/06/33/678690633.db2.gz JKTPWQBGOJVCFM-GZMMTYOYSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CC[C@H]1O ZINC000840974909 678690636 /nfs/dbraw/zinc/69/06/36/678690636.db2.gz JKTPWQBGOJVCFM-GZMMTYOYSA-N 1 2 289.734 1.360 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891639146 617517063 /nfs/dbraw/zinc/51/70/63/617517063.db2.gz QDZBAOFXKABMRC-UHFFFAOYSA-N 1 2 269.297 1.014 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891639146 617517066 /nfs/dbraw/zinc/51/70/66/617517066.db2.gz QDZBAOFXKABMRC-UHFFFAOYSA-N 1 2 269.297 1.014 20 10 CDCDLO Cc1noc(C2C[NH+](Cc3cc(F)cc(F)c3O)C2)n1 ZINC000894969013 619166551 /nfs/dbraw/zinc/16/65/51/619166551.db2.gz CIGHYPFTVWDHQY-UHFFFAOYSA-N 1 2 281.262 1.961 20 10 CDCDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000911783012 629500367 /nfs/dbraw/zinc/50/03/67/629500367.db2.gz OATYRTLBAWPKHV-ZIAGYGMSSA-N 1 2 284.363 1.465 20 10 CDCDLO C[C@@H](C[NH3+])[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843052206 677919344 /nfs/dbraw/zinc/91/93/44/677919344.db2.gz PDPQZEWKLNROCQ-ZETCQYMHSA-N 1 2 273.720 1.733 20 10 CDCDLO C[C@@H](C[NH3+])[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843052206 677919348 /nfs/dbraw/zinc/91/93/48/677919348.db2.gz PDPQZEWKLNROCQ-ZETCQYMHSA-N 1 2 273.720 1.733 20 10 CDCDLO Cc1cccc(C[NH2+]Cc2nnn(C(C)(C)C)n2)c1O ZINC000848924046 678022703 /nfs/dbraw/zinc/02/27/03/678022703.db2.gz VLVKEXXJUMWSLE-UHFFFAOYSA-N 1 2 275.356 1.732 20 10 CDCDLO CN1CC[N@H+](Cc2cc(Cl)ccc2O)[C@H](CO)C1 ZINC000877643455 678050011 /nfs/dbraw/zinc/05/00/11/678050011.db2.gz FDLSEMNRUGICCB-LBPRGKRZSA-N 1 2 270.760 1.154 20 10 CDCDLO CN1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@H](CO)C1 ZINC000877643455 678050014 /nfs/dbraw/zinc/05/00/14/678050014.db2.gz FDLSEMNRUGICCB-LBPRGKRZSA-N 1 2 270.760 1.154 20 10 CDCDLO CC[C@@H]1C[N@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000854666504 678384157 /nfs/dbraw/zinc/38/41/57/678384157.db2.gz CBMSIKHBZDKLJV-SECBINFHSA-N 1 2 254.355 1.620 20 10 CDCDLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000854666504 678384159 /nfs/dbraw/zinc/38/41/59/678384159.db2.gz CBMSIKHBZDKLJV-SECBINFHSA-N 1 2 254.355 1.620 20 10 CDCDLO O=C1NCCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000839195848 678349875 /nfs/dbraw/zinc/34/98/75/678349875.db2.gz OKUNOGOESCPULV-MRVPVSSYSA-N 1 2 286.734 1.801 20 10 CDCDLO CC[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cccc(Cl)c1O ZINC000866420602 678560646 /nfs/dbraw/zinc/56/06/46/678560646.db2.gz QHQXPXMHBQELLV-UTUOFQBUSA-N 1 2 271.744 1.846 20 10 CDCDLO O=C1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3O)CCN12 ZINC000124579482 678642968 /nfs/dbraw/zinc/64/29/68/678642968.db2.gz KSPWBJZBNFRFBJ-NSHDSACASA-N 1 2 280.755 1.852 20 10 CDCDLO O=C1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCN12 ZINC000124579482 678642971 /nfs/dbraw/zinc/64/29/71/678642971.db2.gz KSPWBJZBNFRFBJ-NSHDSACASA-N 1 2 280.755 1.852 20 10 CDCDLO CON(C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850479651 678659377 /nfs/dbraw/zinc/65/93/77/678659377.db2.gz YEIBCZCJVAKGLM-QMMMGPOBSA-N 1 2 260.284 1.814 20 10 CDCDLO C[C@H](CC(=O)NCc1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC000845834133 678871550 /nfs/dbraw/zinc/87/15/50/678871550.db2.gz LXIIDLHVQSZFQH-SNVBAGLBSA-N 1 2 275.308 1.562 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000862550354 678983100 /nfs/dbraw/zinc/98/31/00/678983100.db2.gz DRNZDVYGHFSVHI-NSHDSACASA-N 1 2 270.760 1.202 20 10 CDCDLO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(N(C)C)cc1 ZINC000775835658 679034423 /nfs/dbraw/zinc/03/44/23/679034423.db2.gz HQZGGEGSMUEXNC-NSHDSACASA-N 1 2 271.368 1.976 20 10 CDCDLO COC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000793324140 679166144 /nfs/dbraw/zinc/16/61/44/679166144.db2.gz IHPVJRCNKDIXQO-SECBINFHSA-N 1 2 263.696 1.282 20 10 CDCDLO COC(=O)C(C)(C)[N@H+](C)Cc1cc(F)ccc1O ZINC000779007457 679433524 /nfs/dbraw/zinc/43/35/24/679433524.db2.gz DLKNTRHWSSIGAU-UHFFFAOYSA-N 1 2 255.289 1.915 20 10 CDCDLO COC(=O)C(C)(C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000779007457 679433525 /nfs/dbraw/zinc/43/35/25/679433525.db2.gz DLKNTRHWSSIGAU-UHFFFAOYSA-N 1 2 255.289 1.915 20 10 CDCDLO Cc1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c(O)c1 ZINC000877617110 679453035 /nfs/dbraw/zinc/45/30/35/679453035.db2.gz KQHVWMZHMJPINW-ZDUSSCGKSA-N 1 2 288.351 1.960 20 10 CDCDLO C[N@@H+]1CC[C@H]2CN(Cc3ccc(F)c(F)c3O)C[C@H]21 ZINC001233078139 912713224 /nfs/dbraw/zinc/71/32/24/912713224.db2.gz HNKKTYJSGXJQCJ-JOYOIKCWSA-N 1 2 268.307 1.806 20 10 CDCDLO C[N@H+]1CC[C@H]2CN(Cc3ccc(F)c(F)c3O)C[C@H]21 ZINC001233078139 912713231 /nfs/dbraw/zinc/71/32/31/912713231.db2.gz HNKKTYJSGXJQCJ-JOYOIKCWSA-N 1 2 268.307 1.806 20 10 CDCDLO Cc1nc(NCCc2cc(O)c(O)cc2O)cc[nH+]1 ZINC001168005294 905340567 /nfs/dbraw/zinc/34/05/67/905340567.db2.gz DTJVHBMVYVMQOZ-UHFFFAOYSA-N 1 2 261.281 1.556 20 10 CDCDLO CN(Cc1c(O)cc(F)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC001140583910 936727759 /nfs/dbraw/zinc/72/77/59/936727759.db2.gz YHESDAZOXMGVOI-SNVBAGLBSA-N 1 2 256.296 1.806 20 10 CDCDLO CN(Cc1c(O)cc(F)cc1F)[C@@H]1CC[N@@H+](C)C1 ZINC001140583910 936727760 /nfs/dbraw/zinc/72/77/60/936727760.db2.gz YHESDAZOXMGVOI-SNVBAGLBSA-N 1 2 256.296 1.806 20 10 CDCDLO Oc1cccc(F)c1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001137831822 922461821 /nfs/dbraw/zinc/46/18/21/922461821.db2.gz OWIDEDRPCBKIHJ-GFCCVEGCSA-N 1 2 280.343 1.438 20 10 CDCDLO Oc1cccc(F)c1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001137831822 922461847 /nfs/dbraw/zinc/46/18/47/922461847.db2.gz OWIDEDRPCBKIHJ-GFCCVEGCSA-N 1 2 280.343 1.438 20 10 CDCDLO CCN(CC)c1ccc(C[NH+]2CC(OC(C)=O)C2)c(O)c1 ZINC001140855334 936764623 /nfs/dbraw/zinc/76/46/23/936764623.db2.gz VRUZPULFCLOTHF-UHFFFAOYSA-N 1 2 292.379 1.986 20 10 CDCDLO CN1C[C@@H]2CC[N@H+](Cc3c(O)cccc3F)[C@@H]2C1 ZINC001276354324 935042110 /nfs/dbraw/zinc/04/21/10/935042110.db2.gz QOKKCEJZWSADPF-GXFFZTMASA-N 1 2 250.317 1.667 20 10 CDCDLO CN1C[C@@H]2CC[N@@H+](Cc3c(O)cccc3F)[C@@H]2C1 ZINC001276354324 935042116 /nfs/dbraw/zinc/04/21/16/935042116.db2.gz QOKKCEJZWSADPF-GXFFZTMASA-N 1 2 250.317 1.667 20 10 CDCDLO O=C(NCc1c(O)cccc1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001156880795 938428422 /nfs/dbraw/zinc/42/84/22/938428422.db2.gz BGFVHIQEGXPSCU-SNVBAGLBSA-N 1 2 287.319 1.173 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206673909 938769413 /nfs/dbraw/zinc/76/94/13/938769413.db2.gz AEZNEOROYBCPTO-CQSZACIVSA-N 1 2 299.365 1.930 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206673909 938769414 /nfs/dbraw/zinc/76/94/14/938769414.db2.gz AEZNEOROYBCPTO-CQSZACIVSA-N 1 2 299.365 1.930 20 10 CDCDLO C[C@@H]1CCN(Cc2c(F)ccc(F)c2O)C[C@@H]1[NH3+] ZINC001205868576 939948092 /nfs/dbraw/zinc/94/80/92/939948092.db2.gz LARBWPGAOVZSLN-PELKAZGASA-N 1 2 256.296 1.840 20 10 CDCDLO C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001231565968 942929937 /nfs/dbraw/zinc/92/99/37/942929937.db2.gz FYFCJWGWLZACDP-JSGCOSHPSA-N 1 2 290.363 1.616 20 10 CDCDLO C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001231565968 942929940 /nfs/dbraw/zinc/92/99/40/942929940.db2.gz FYFCJWGWLZACDP-JSGCOSHPSA-N 1 2 290.363 1.616 20 10 CDCDLO C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001231565968 942929943 /nfs/dbraw/zinc/92/99/43/942929943.db2.gz FYFCJWGWLZACDP-JSGCOSHPSA-N 1 2 290.363 1.616 20 10 CDCDLO C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001231565968 942929947 /nfs/dbraw/zinc/92/99/47/942929947.db2.gz FYFCJWGWLZACDP-JSGCOSHPSA-N 1 2 290.363 1.616 20 10 CDCDLO Cc1cc(O)c(C[NH+]2CC(N3CCOCC3)C2)cc1Cl ZINC001231870551 943036467 /nfs/dbraw/zinc/03/64/67/943036467.db2.gz IHKABDMBOGININ-UHFFFAOYSA-N 1 2 296.798 1.870 20 10 CDCDLO O=C1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CCN1 ZINC001234992240 944001836 /nfs/dbraw/zinc/00/18/36/944001836.db2.gz OCCWTVBJRXYVHI-UHFFFAOYSA-N 1 2 282.343 1.991 20 10 CDCDLO O=C1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CCN1 ZINC001234992240 944001844 /nfs/dbraw/zinc/00/18/44/944001844.db2.gz OCCWTVBJRXYVHI-UHFFFAOYSA-N 1 2 282.343 1.991 20 10 CDCDLO [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001235168364 944077903 /nfs/dbraw/zinc/07/79/03/944077903.db2.gz DWLUIPYLASTJJP-SMDDNHRTSA-N 1 2 262.309 1.014 20 10 CDCDLO [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001235168364 944077908 /nfs/dbraw/zinc/07/79/08/944077908.db2.gz DWLUIPYLASTJJP-SMDDNHRTSA-N 1 2 262.309 1.014 20 10 CDCDLO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001308270158 956508494 /nfs/dbraw/zinc/50/84/94/956508494.db2.gz TVGZIPOSTKWJOS-ZETCQYMHSA-N 1 2 295.763 1.707 20 10 CDCDLO C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC001308745338 956572493 /nfs/dbraw/zinc/57/24/93/956572493.db2.gz VMVXUOPKNULJHK-KWQFWETISA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC001308745338 956572505 /nfs/dbraw/zinc/57/25/05/956572505.db2.gz VMVXUOPKNULJHK-KWQFWETISA-N 1 2 257.280 1.873 20 10 CDCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001335289578 959685722 /nfs/dbraw/zinc/68/57/22/959685722.db2.gz PATGALVOQDQYPM-KGLIPLIRSA-N 1 2 278.352 1.421 20 10 CDCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N)cc1 ZINC001335289578 959685731 /nfs/dbraw/zinc/68/57/31/959685731.db2.gz PATGALVOQDQYPM-KGLIPLIRSA-N 1 2 278.352 1.421 20 10 CDCDLO C[C@H](C(=O)NCCc1ccc(N)cc1)n1cc[nH+]c1 ZINC001346089295 964912449 /nfs/dbraw/zinc/91/24/49/964912449.db2.gz OPQMUWABZIADBE-LLVKDONJSA-N 1 2 258.325 1.385 20 10 CDCDLO CN(C)c1ccc(CNC(=O)CCc2[nH+]ccn2C)cc1 ZINC001518787525 970039257 /nfs/dbraw/zinc/03/92/57/970039257.db2.gz FMZAUUCAXPUSPV-UHFFFAOYSA-N 1 2 286.379 1.735 20 10 CDCDLO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(F)c(F)c1O ZINC000191184537 358118483 /nfs/dbraw/zinc/11/84/83/358118483.db2.gz JYXVXSGQEWETEV-QMMMGPOBSA-N 1 2 284.306 1.847 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(F)cc1O ZINC000273399765 365492856 /nfs/dbraw/zinc/49/28/56/365492856.db2.gz MUZAEQQFQCJZNZ-SECBINFHSA-N 1 2 276.315 1.920 20 10 CDCDLO O=C1NC[C@@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)CCN12 ZINC000191436943 373490313 /nfs/dbraw/zinc/49/03/13/373490313.db2.gz VRZJOJGNTBYODN-MRVPVSSYSA-N 1 2 299.733 1.394 20 10 CDCDLO O=C1NC[C@@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)CCN12 ZINC000191436943 373490323 /nfs/dbraw/zinc/49/03/23/373490323.db2.gz VRZJOJGNTBYODN-MRVPVSSYSA-N 1 2 299.733 1.394 20 10 CDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000118532560 390833164 /nfs/dbraw/zinc/83/31/64/390833164.db2.gz GFNVNGVLGCNCHB-UHFFFAOYSA-N 1 2 284.425 1.619 20 10 CDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000118532560 390833169 /nfs/dbraw/zinc/83/31/69/390833169.db2.gz GFNVNGVLGCNCHB-UHFFFAOYSA-N 1 2 284.425 1.619 20 10 CDCDLO NC(=O)C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000368133710 267147665 /nfs/dbraw/zinc/14/76/65/267147665.db2.gz KCGUTHSHYMNIAM-SECBINFHSA-N 1 2 268.744 1.743 20 10 CDCDLO NC(=O)C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000368133710 267147668 /nfs/dbraw/zinc/14/76/68/267147668.db2.gz KCGUTHSHYMNIAM-SECBINFHSA-N 1 2 268.744 1.743 20 10 CDCDLO CCOc1cccc(C[N@H+](CC)CC(=O)OC)c1O ZINC000271138072 328195381 /nfs/dbraw/zinc/19/53/81/328195381.db2.gz AVFKOHCSBYDWFB-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CCOc1cccc(C[N@@H+](CC)CC(=O)OC)c1O ZINC000271138072 328195383 /nfs/dbraw/zinc/19/53/83/328195383.db2.gz AVFKOHCSBYDWFB-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO C[C@H]([NH2+]Cc1nncn1C)c1ccc(F)cc1O ZINC000062747797 525493583 /nfs/dbraw/zinc/49/35/83/525493583.db2.gz RHUVFPXVTUBZSE-QMMMGPOBSA-N 1 2 250.277 1.511 20 10 CDCDLO OCC(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000083691546 527521053 /nfs/dbraw/zinc/52/10/53/527521053.db2.gz YVIMSJYQIALDDF-UHFFFAOYSA-N 1 2 266.124 1.142 20 10 CDCDLO CCC[N@H+](CC(=O)OC)Cc1c(O)cccc1OC ZINC000771935757 575638685 /nfs/dbraw/zinc/63/86/85/575638685.db2.gz VGYGBQIXRICULJ-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CCC[N@@H+](CC(=O)OC)Cc1c(O)cccc1OC ZINC000771935757 575638687 /nfs/dbraw/zinc/63/86/87/575638687.db2.gz VGYGBQIXRICULJ-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO C[N@H+](Cc1ccon1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768448986 576284603 /nfs/dbraw/zinc/28/46/03/576284603.db2.gz YXJLYOIQJUFQJZ-ZDUSSCGKSA-N 1 2 276.292 1.438 20 10 CDCDLO C[N@@H+](Cc1ccon1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768448986 576284604 /nfs/dbraw/zinc/28/46/04/576284604.db2.gz YXJLYOIQJUFQJZ-ZDUSSCGKSA-N 1 2 276.292 1.438 20 10 CDCDLO C[C@H]([NH2+]C[C@H]1COCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000756433770 576990345 /nfs/dbraw/zinc/99/03/45/576990345.db2.gz HIKSJZHZZBCVHZ-ONGXEEELSA-N 1 2 282.296 1.366 20 10 CDCDLO CC1(C)CN(Cc2ccccc2O)CC[N@@H+]1CCO ZINC000783714159 679860683 /nfs/dbraw/zinc/86/06/83/679860683.db2.gz NSQCBWPLYWWJEV-UHFFFAOYSA-N 1 2 264.369 1.281 20 10 CDCDLO CC1(C)CN(Cc2ccccc2O)CC[N@H+]1CCO ZINC000783714159 679860684 /nfs/dbraw/zinc/86/06/84/679860684.db2.gz NSQCBWPLYWWJEV-UHFFFAOYSA-N 1 2 264.369 1.281 20 10 CDCDLO OCC[C@@H]1CSCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894088306 618373592 /nfs/dbraw/zinc/37/35/92/618373592.db2.gz KQJJYXPOSIMDPA-LLVKDONJSA-N 1 2 289.347 1.970 20 10 CDCDLO OCC[C@@H]1CSCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894088306 618373608 /nfs/dbraw/zinc/37/36/08/618373608.db2.gz KQJJYXPOSIMDPA-LLVKDONJSA-N 1 2 289.347 1.970 20 10 CDCDLO CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817980837 679826999 /nfs/dbraw/zinc/82/69/99/679826999.db2.gz XJJFXCJPBDAUGP-GXSJLCMTSA-N 1 2 266.341 1.567 20 10 CDCDLO COc1ccc(CNC(=O)CCCn2cc[nH+]c2)c(O)c1 ZINC000794370568 679873381 /nfs/dbraw/zinc/87/33/81/679873381.db2.gz PRPAHMMPXZBGSI-UHFFFAOYSA-N 1 2 289.335 1.694 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](CF)C1)OCO2 ZINC000840171853 681884263 /nfs/dbraw/zinc/88/42/63/681884263.db2.gz PVNNGURJHSEJNJ-JTQLQIEISA-N 1 2 269.272 1.291 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](CF)C1)OCO2 ZINC000840171853 681884268 /nfs/dbraw/zinc/88/42/68/681884268.db2.gz PVNNGURJHSEJNJ-JTQLQIEISA-N 1 2 269.272 1.291 20 10 CDCDLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccccc1O ZINC000827946713 681855505 /nfs/dbraw/zinc/85/55/05/681855505.db2.gz PXZPKHCHGXZLMT-LLVKDONJSA-N 1 2 273.336 1.936 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CC(=O)N[C@H](C)C2)c1O ZINC000840134839 682019344 /nfs/dbraw/zinc/01/93/44/682019344.db2.gz UDIXARGUZMWOLF-SNVBAGLBSA-N 1 2 264.325 1.030 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1O ZINC000840134839 682019348 /nfs/dbraw/zinc/01/93/48/682019348.db2.gz UDIXARGUZMWOLF-SNVBAGLBSA-N 1 2 264.325 1.030 20 10 CDCDLO C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841023441 682435766 /nfs/dbraw/zinc/43/57/66/682435766.db2.gz CWWGIZGPXVVRSX-RHSMWYFYSA-N 1 2 288.439 1.360 20 10 CDCDLO COc1ccc(O)c(C[NH+]2CCN(CC(C)(C)O)CC2)c1 ZINC000180010350 682605326 /nfs/dbraw/zinc/60/53/26/682605326.db2.gz JJQGRVUYANTFEZ-UHFFFAOYSA-N 1 2 294.395 1.289 20 10 CDCDLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000862542415 683111349 /nfs/dbraw/zinc/11/13/49/683111349.db2.gz OOMDNPIKHUNHNY-MRVPVSSYSA-N 1 2 272.732 1.544 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cc1Cl ZINC000825651413 683450331 /nfs/dbraw/zinc/45/03/31/683450331.db2.gz IEZYJFVMLKVCPS-CMPLNLGQSA-N 1 2 285.771 1.936 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cc1Cl ZINC000825651413 683450336 /nfs/dbraw/zinc/45/03/36/683450336.db2.gz IEZYJFVMLKVCPS-CMPLNLGQSA-N 1 2 285.771 1.936 20 10 CDCDLO CC(C)N1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CC1=O ZINC000883016456 683808109 /nfs/dbraw/zinc/80/81/09/683808109.db2.gz ZTTZHJVAPSHCPN-LLVKDONJSA-N 1 2 284.306 1.769 20 10 CDCDLO [O-]c1c(F)cc(F)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000708479973 683886935 /nfs/dbraw/zinc/88/69/35/683886935.db2.gz CFYYTTUIAWVNMC-NXEZZACHSA-N 1 2 254.280 1.322 20 10 CDCDLO NC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140579812 1167051787 /nfs/dbraw/zinc/05/17/87/1167051787.db2.gz HYQWJIPIGCCHCN-QMMMGPOBSA-N 1 2 270.279 1.368 20 10 CDCDLO NC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140579812 1167051793 /nfs/dbraw/zinc/05/17/93/1167051793.db2.gz HYQWJIPIGCCHCN-QMMMGPOBSA-N 1 2 270.279 1.368 20 10 CDCDLO CNc1cc(CNC(=O)NCCc2ccc(N)cc2)cc[nH+]1 ZINC001578755263 1171997244 /nfs/dbraw/zinc/99/72/44/1171997244.db2.gz UTFSYXZKVWARQP-UHFFFAOYSA-N 1 2 299.378 1.747 20 10 CDCDLO COc1cc(O)c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c(OC)c1 ZINC001141029306 936794775 /nfs/dbraw/zinc/79/47/75/936794775.db2.gz PDSGZETXPMECBP-PHIMTYICSA-N 1 2 265.309 1.383 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c(OC)c1 ZINC001141029306 936794776 /nfs/dbraw/zinc/79/47/76/936794776.db2.gz PDSGZETXPMECBP-PHIMTYICSA-N 1 2 265.309 1.383 20 10 CDCDLO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1c(O)cccc1F ZINC000886557303 930905893 /nfs/dbraw/zinc/90/58/93/930905893.db2.gz XWQBVCQPTIUQOZ-JOYOIKCWSA-N 1 2 279.315 1.649 20 10 CDCDLO CC(C)CN1CC[N@H+](Cc2ccc(N)cc2)[C@H](C)C1=O ZINC001120268402 937790592 /nfs/dbraw/zinc/79/05/92/937790592.db2.gz DIEYPNPOQINCKX-CYBMUJFWSA-N 1 2 275.396 1.958 20 10 CDCDLO CC(C)CN1CC[N@@H+](Cc2ccc(N)cc2)[C@H](C)C1=O ZINC001120268402 937790594 /nfs/dbraw/zinc/79/05/94/937790594.db2.gz DIEYPNPOQINCKX-CYBMUJFWSA-N 1 2 275.396 1.958 20 10 CDCDLO Cc1nc(N(C)C)nc(NCc2ccc(N)cc2)[nH+]1 ZINC001162786445 939138256 /nfs/dbraw/zinc/13/82/56/939138256.db2.gz WBUNYIUHBUUZMU-UHFFFAOYSA-N 1 2 258.329 1.440 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)CCO1 ZINC001203627745 939698107 /nfs/dbraw/zinc/69/81/07/939698107.db2.gz MTORTEKHFCKTSC-CYBMUJFWSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(OC)cc2O)CCO1 ZINC001203627745 939698108 /nfs/dbraw/zinc/69/81/08/939698108.db2.gz MTORTEKHFCKTSC-CYBMUJFWSA-N 1 2 295.335 1.165 20 10 CDCDLO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(F)c(F)c1O ZINC001205083096 939821309 /nfs/dbraw/zinc/82/13/09/939821309.db2.gz PNVGIVZPKYXKAQ-WPRPVWTQSA-N 1 2 256.296 1.982 20 10 CDCDLO CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C(=O)[O-])cc1O ZINC001231453201 942896974 /nfs/dbraw/zinc/89/69/74/942896974.db2.gz DQAOEYCFTWDXKN-UHFFFAOYSA-N 1 2 289.335 1.809 20 10 CDCDLO CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C(=O)[O-])cc1O ZINC001231453201 942896977 /nfs/dbraw/zinc/89/69/77/942896977.db2.gz DQAOEYCFTWDXKN-UHFFFAOYSA-N 1 2 289.335 1.809 20 10 CDCDLO CCCC[N@H+](CC(=O)OCC)Cc1cc(O)c(O)cc1O ZINC001233487016 943596283 /nfs/dbraw/zinc/59/62/83/943596283.db2.gz LSYCAJRLUVRSRO-UHFFFAOYSA-N 1 2 297.351 1.969 20 10 CDCDLO CCCC[N@@H+](CC(=O)OCC)Cc1cc(O)c(O)cc1O ZINC001233487016 943596289 /nfs/dbraw/zinc/59/62/89/943596289.db2.gz LSYCAJRLUVRSRO-UHFFFAOYSA-N 1 2 297.351 1.969 20 10 CDCDLO COc1cc(O)c(C[N@H+](C)CC(=O)N(C)C)c(Cl)c1 ZINC001236799256 944569893 /nfs/dbraw/zinc/56/98/93/944569893.db2.gz KZMSPSDPPFLCKI-UHFFFAOYSA-N 1 2 286.759 1.574 20 10 CDCDLO COc1cc(O)c(C[N@@H+](C)CC(=O)N(C)C)c(Cl)c1 ZINC001236799256 944569899 /nfs/dbraw/zinc/56/98/99/944569899.db2.gz KZMSPSDPPFLCKI-UHFFFAOYSA-N 1 2 286.759 1.574 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1O ZINC001237119736 944660614 /nfs/dbraw/zinc/66/06/14/944660614.db2.gz FEDNSYGZTNYBAU-LDYMZIIASA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1O ZINC001237119736 944660620 /nfs/dbraw/zinc/66/06/20/944660620.db2.gz FEDNSYGZTNYBAU-LDYMZIIASA-N 1 2 289.734 1.360 20 10 CDCDLO CC(=O)NC1C[NH+](Cc2cc(F)cc(C)c2O)C1 ZINC001238062900 945044678 /nfs/dbraw/zinc/04/46/78/945044678.db2.gz UKZRTYVZLXXTOV-UHFFFAOYSA-N 1 2 252.289 1.160 20 10 CDCDLO COc1cccc(O)c1C[NH2+]Cc1csnn1 ZINC001262011597 946374112 /nfs/dbraw/zinc/37/41/12/946374112.db2.gz RCCMMXOTCVDPCE-UHFFFAOYSA-N 1 2 251.311 1.542 20 10 CDCDLO O=C(NCc1c(O)cccc1O)c1cc2c[nH+]ccc2[nH]1 ZINC001304054608 956156982 /nfs/dbraw/zinc/15/69/82/956156982.db2.gz RQZOMSUEZNOUGQ-UHFFFAOYSA-N 1 2 283.287 1.904 20 10 CDCDLO Nc1ccc(CNC(=O)NCCCn2cc[nH+]c2)cc1 ZINC001357648293 969636305 /nfs/dbraw/zinc/63/63/05/969636305.db2.gz SWMWNHHMGZNOAV-UHFFFAOYSA-N 1 2 273.340 1.355 20 10 CDCDLO C[N@H+](Cc1c(O)cccc1Br)[C@@H]1CCNC1=O ZINC000862252860 684547812 /nfs/dbraw/zinc/54/78/12/684547812.db2.gz HZDASNRLHWWEBI-SNVBAGLBSA-N 1 2 299.168 1.475 20 10 CDCDLO C[N@@H+](Cc1c(O)cccc1Br)[C@@H]1CCNC1=O ZINC000862252860 684547818 /nfs/dbraw/zinc/54/78/18/684547818.db2.gz HZDASNRLHWWEBI-SNVBAGLBSA-N 1 2 299.168 1.475 20 10 CDCDLO Cn1c[nH+]cc1CC(=O)NCc1cc(Cl)ccc1O ZINC000857548200 684703061 /nfs/dbraw/zinc/70/30/61/684703061.db2.gz IJHFPLCHAWNKIY-UHFFFAOYSA-N 1 2 279.727 1.638 20 10 CDCDLO C[N@H+](CCN1CCOCC1)Cc1cccc(Cl)c1O ZINC000180023768 357237355 /nfs/dbraw/zinc/23/73/55/357237355.db2.gz BBAUMXBXLTUGJE-UHFFFAOYSA-N 1 2 284.787 1.810 20 10 CDCDLO C[N@@H+](CCN1CCOCC1)Cc1cccc(Cl)c1O ZINC000180023768 357237358 /nfs/dbraw/zinc/23/73/58/357237358.db2.gz BBAUMXBXLTUGJE-UHFFFAOYSA-N 1 2 284.787 1.810 20 10 CDCDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000272289814 365174055 /nfs/dbraw/zinc/17/40/55/365174055.db2.gz NZBSDUOICZCKHL-AUSHCKSDSA-N 1 2 271.357 1.873 20 10 CDCDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1cc(F)ccc1O ZINC000272289814 365174059 /nfs/dbraw/zinc/17/40/59/365174059.db2.gz NZBSDUOICZCKHL-AUSHCKSDSA-N 1 2 271.357 1.873 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CCN(CC(F)F)CC1 ZINC000272309011 365183494 /nfs/dbraw/zinc/18/34/94/365183494.db2.gz RGVTTYCKSLYONI-UHFFFAOYSA-N 1 2 274.286 1.914 20 10 CDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nncn2C)c1 ZINC000273394917 365490917 /nfs/dbraw/zinc/49/09/17/365490917.db2.gz LQNVGYJXOBRWEZ-VIFPVBQESA-N 1 2 290.323 1.158 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)NCCF ZINC000282862927 368075232 /nfs/dbraw/zinc/07/52/32/368075232.db2.gz UUQFQUXTZLIHBW-DTWKUNHWSA-N 1 2 299.302 1.425 20 10 CDCDLO CCOC1C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000297528895 372000525 /nfs/dbraw/zinc/00/05/25/372000525.db2.gz XOAXQAOLPLURNU-UHFFFAOYSA-N 1 2 267.325 1.630 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC(=O)N1 ZINC000294910446 378660605 /nfs/dbraw/zinc/66/06/05/378660605.db2.gz DYHMTRUSJMAJFK-QMMMGPOBSA-N 1 2 254.717 1.366 20 10 CDCDLO COc1cccc(C[N@@H+]2CCc3c(ncn3C)C2)c1O ZINC000374419651 391161721 /nfs/dbraw/zinc/16/17/21/391161721.db2.gz IJOQCXFJZTWJTD-UHFFFAOYSA-N 1 2 273.336 1.693 20 10 CDCDLO COc1cccc(C[N@H+]2CCc3c(ncn3C)C2)c1O ZINC000374419651 391161723 /nfs/dbraw/zinc/16/17/23/391161723.db2.gz IJOQCXFJZTWJTD-UHFFFAOYSA-N 1 2 273.336 1.693 20 10 CDCDLO COc1cccc(CN2CCc3c([nH+]cn3C)C2)c1O ZINC000374419651 391161726 /nfs/dbraw/zinc/16/17/26/391161726.db2.gz IJOQCXFJZTWJTD-UHFFFAOYSA-N 1 2 273.336 1.693 20 10 CDCDLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273433950 285575634 /nfs/dbraw/zinc/57/56/34/285575634.db2.gz WMVBLMSQFMATJV-IUCAKERBSA-N 1 2 281.312 1.476 20 10 CDCDLO COc1ccc(O)c([C@H](C)[NH2+]CC(F)(F)CO)c1 ZINC000184694476 262025796 /nfs/dbraw/zinc/02/57/96/262025796.db2.gz WNWRAURQZQJMJT-QMMMGPOBSA-N 1 2 261.268 1.679 20 10 CDCDLO Cn1c[nH+]cc1CCC(=O)NCc1ccccc1O ZINC000279867327 527505166 /nfs/dbraw/zinc/50/51/66/527505166.db2.gz KVQSSJJBNLWOTP-UHFFFAOYSA-N 1 2 259.309 1.375 20 10 CDCDLO COc1c(O)c(CNCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000774988350 575259044 /nfs/dbraw/zinc/25/90/44/575259044.db2.gz FDNRNNFJYSYSIR-UHFFFAOYSA-N 1 2 297.355 1.739 20 10 CDCDLO COc1c(O)c(CNCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000774988350 575259046 /nfs/dbraw/zinc/25/90/46/575259046.db2.gz FDNRNNFJYSYSIR-UHFFFAOYSA-N 1 2 297.355 1.739 20 10 CDCDLO CCOc1ccc(C[NH2+]CC(F)(F)CO)c(O)c1 ZINC000767194832 576167079 /nfs/dbraw/zinc/16/70/79/576167079.db2.gz NVUWVNFRHDYITG-UHFFFAOYSA-N 1 2 261.268 1.508 20 10 CDCDLO CCOC(=O)[C@H](C)[NH2+]Cc1cc(OCC)ccc1O ZINC000763277418 576728449 /nfs/dbraw/zinc/72/84/49/576728449.db2.gz MRMJNLHDXMRRPO-JTQLQIEISA-N 1 2 267.325 1.832 20 10 CDCDLO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(F)cc(F)c1O ZINC000756568396 576996331 /nfs/dbraw/zinc/99/63/31/576996331.db2.gz DRTQIKDJKYSATF-JQWIXIFHSA-N 1 2 299.365 1.567 20 10 CDCDLO NC(=O)N1CCC[N@@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893988018 618238350 /nfs/dbraw/zinc/23/83/50/618238350.db2.gz XFGOFVVKRWKBPH-UHFFFAOYSA-N 1 2 285.294 1.257 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000894474458 618908220 /nfs/dbraw/zinc/90/82/20/618908220.db2.gz CGGIOFYHBHLNPY-AWEZNQCLSA-N 1 2 285.290 1.662 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000894474458 618908223 /nfs/dbraw/zinc/90/82/23/618908223.db2.gz CGGIOFYHBHLNPY-AWEZNQCLSA-N 1 2 285.290 1.662 20 10 CDCDLO Oc1c(Cl)cccc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846067698 685354499 /nfs/dbraw/zinc/35/44/99/685354499.db2.gz JAXZBSYXJSAKMZ-GFCCVEGCSA-N 1 2 282.771 1.296 20 10 CDCDLO Oc1c(Cl)cccc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846067698 685354510 /nfs/dbraw/zinc/35/45/10/685354510.db2.gz JAXZBSYXJSAKMZ-GFCCVEGCSA-N 1 2 282.771 1.296 20 10 CDCDLO Nc1ccc(CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000831442900 684657207 /nfs/dbraw/zinc/65/72/07/684657207.db2.gz ABPXACAWLVRKLP-HNNXBMFYSA-N 1 2 296.374 1.601 20 10 CDCDLO O=C(/C=C\c1ccc(O)c(O)c1)N1CC(n2cc[nH+]c2)C1 ZINC000779519437 684742522 /nfs/dbraw/zinc/74/25/22/684742522.db2.gz DPKKBZWYGYVHFZ-RQOWECAXSA-N 1 2 285.303 1.391 20 10 CDCDLO OC[C@]12C[C@H]1C[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC000783733702 684838494 /nfs/dbraw/zinc/83/84/94/684838494.db2.gz ITSIHYQXHTVEII-TVQRCGJNSA-N 1 2 271.719 1.999 20 10 CDCDLO OC[C@]12C[C@H]1C[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC000783733702 684838495 /nfs/dbraw/zinc/83/84/95/684838495.db2.gz ITSIHYQXHTVEII-TVQRCGJNSA-N 1 2 271.719 1.999 20 10 CDCDLO OC1CCN(c2ccc(C[N@@H+]3CCO[C@H]4C[C@H]43)cc2)CC1 ZINC000877545036 686039652 /nfs/dbraw/zinc/03/96/52/686039652.db2.gz DUAWOTRDIOGWIM-SJORKVTESA-N 1 2 288.391 1.621 20 10 CDCDLO OC1CCN(c2ccc(C[N@H+]3CCO[C@H]4C[C@H]43)cc2)CC1 ZINC000877545036 686039658 /nfs/dbraw/zinc/03/96/58/686039658.db2.gz DUAWOTRDIOGWIM-SJORKVTESA-N 1 2 288.391 1.621 20 10 CDCDLO C[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000132400752 686673680 /nfs/dbraw/zinc/67/36/80/686673680.db2.gz MRFYOCBEOBIXPY-NSHDSACASA-N 1 2 289.784 1.665 20 10 CDCDLO C[N@@H+](Cc1cc(Cl)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000132400752 686673685 /nfs/dbraw/zinc/67/36/85/686673685.db2.gz MRFYOCBEOBIXPY-NSHDSACASA-N 1 2 289.784 1.665 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1O ZINC000840134838 687185074 /nfs/dbraw/zinc/18/50/74/687185074.db2.gz UDIXARGUZMWOLF-JTQLQIEISA-N 1 2 264.325 1.030 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1O ZINC000840134838 687185080 /nfs/dbraw/zinc/18/50/80/687185080.db2.gz UDIXARGUZMWOLF-JTQLQIEISA-N 1 2 264.325 1.030 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC000825017541 687306516 /nfs/dbraw/zinc/30/65/16/687306516.db2.gz UFWKACOFGORYGA-GHMZBOCLSA-N 1 2 257.717 1.237 20 10 CDCDLO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1c(O)cccc1F ZINC000886557302 687329627 /nfs/dbraw/zinc/32/96/27/687329627.db2.gz XWQBVCQPTIUQOZ-CABZTGNLSA-N 1 2 279.315 1.649 20 10 CDCDLO CCOc1ccccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000037874974 687456674 /nfs/dbraw/zinc/45/66/74/687456674.db2.gz OHYLLLFNLIXQRW-ZDUSSCGKSA-N 1 2 280.368 1.190 20 10 CDCDLO O=C1COc2c[nH+]c(NCc3ccc(O)c(O)c3)cc2N1 ZINC001169993234 1162030254 /nfs/dbraw/zinc/03/02/54/1162030254.db2.gz JOSGVHSBIIKOAO-UHFFFAOYSA-N 1 2 287.275 1.436 20 10 CDCDLO CCOc1ccc(N2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC001116351753 919696271 /nfs/dbraw/zinc/69/62/71/919696271.db2.gz FHLBHJTWDNENLC-UHFFFAOYSA-N 1 2 291.395 1.296 20 10 CDCDLO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1c(F)ccc(F)c1O ZINC001139688856 936635656 /nfs/dbraw/zinc/63/56/56/936635656.db2.gz BYHIQLYHJDCMJV-UWVGGRQHSA-N 1 2 268.307 1.949 20 10 CDCDLO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1c(F)ccc(F)c1O ZINC001139688856 936635658 /nfs/dbraw/zinc/63/56/58/936635658.db2.gz BYHIQLYHJDCMJV-UWVGGRQHSA-N 1 2 268.307 1.949 20 10 CDCDLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140583214 936727927 /nfs/dbraw/zinc/72/79/27/936727927.db2.gz ZRVZJDZWQYMCPF-BDAKNGLRSA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140583214 936727929 /nfs/dbraw/zinc/72/79/29/936727929.db2.gz ZRVZJDZWQYMCPF-BDAKNGLRSA-N 1 2 257.280 1.873 20 10 CDCDLO Oc1cc(F)cc(F)c1CN1CC[NH+]2CCC1CC2 ZINC001140584517 936728037 /nfs/dbraw/zinc/72/80/37/936728037.db2.gz VBUJXMFWBHNVSK-UHFFFAOYSA-N 1 2 268.307 1.950 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC(C)(OC)C2)c(OC)c1 ZINC001141031980 936795521 /nfs/dbraw/zinc/79/55/21/936795521.db2.gz PHXCWQVUWUXGCD-UHFFFAOYSA-N 1 2 267.325 1.630 20 10 CDCDLO Cn1ncc2c1CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001137840172 923117361 /nfs/dbraw/zinc/11/73/61/923117361.db2.gz SFAMRDMKDDNVFL-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Cn1ncc2c1CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137840172 923117371 /nfs/dbraw/zinc/11/73/71/923117371.db2.gz SFAMRDMKDDNVFL-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO COC[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141144583 936819326 /nfs/dbraw/zinc/81/93/26/936819326.db2.gz HJUJZVFTUSOTLF-AWEZNQCLSA-N 1 2 292.379 1.362 20 10 CDCDLO COC[C@H]1COCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141144583 936819328 /nfs/dbraw/zinc/81/93/28/936819328.db2.gz HJUJZVFTUSOTLF-AWEZNQCLSA-N 1 2 292.379 1.362 20 10 CDCDLO COCC[NH+]1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142513160 937025742 /nfs/dbraw/zinc/02/57/42/937025742.db2.gz ZQKWLUQNSVXZFR-UHFFFAOYSA-N 1 2 286.322 1.434 20 10 CDCDLO O=C1COC[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC001203663978 939700320 /nfs/dbraw/zinc/70/03/20/939700320.db2.gz JJHPDJGCWHKWAN-GFCCVEGCSA-N 1 2 296.754 1.089 20 10 CDCDLO O=C1COC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC001203663978 939700321 /nfs/dbraw/zinc/70/03/21/939700321.db2.gz JJHPDJGCWHKWAN-GFCCVEGCSA-N 1 2 296.754 1.089 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1O ZINC001231910946 943050257 /nfs/dbraw/zinc/05/02/57/943050257.db2.gz WSSYRXTZDHFMCT-CMPLNLGQSA-N 1 2 271.744 1.221 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1O ZINC001231910946 943050267 /nfs/dbraw/zinc/05/02/67/943050267.db2.gz WSSYRXTZDHFMCT-CMPLNLGQSA-N 1 2 271.744 1.221 20 10 CDCDLO CN1CCO[C@H]2C[N@H+](Cc3c(O)ccc(F)c3F)C[C@H]21 ZINC001233333089 943546970 /nfs/dbraw/zinc/54/69/70/943546970.db2.gz JGEAMHLMZKTHPE-YPMHNXCESA-N 1 2 284.306 1.185 20 10 CDCDLO CN1CCO[C@H]2C[N@@H+](Cc3c(O)ccc(F)c3F)C[C@H]21 ZINC001233333089 943546974 /nfs/dbraw/zinc/54/69/74/943546974.db2.gz JGEAMHLMZKTHPE-YPMHNXCESA-N 1 2 284.306 1.185 20 10 CDCDLO CCc1ccc(C[N@@H+]2CCO[C@H](C(C)=O)C2)c(O)c1 ZINC001236787764 944568134 /nfs/dbraw/zinc/56/81/34/944568134.db2.gz KYNTYVFBPBYARX-HNNXBMFYSA-N 1 2 263.337 1.744 20 10 CDCDLO CCc1ccc(C[N@H+]2CCO[C@H](C(C)=O)C2)c(O)c1 ZINC001236787764 944568141 /nfs/dbraw/zinc/56/81/41/944568141.db2.gz KYNTYVFBPBYARX-HNNXBMFYSA-N 1 2 263.337 1.744 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2C[C@H](F)C[C@H]2CO)c(Cl)c1 ZINC001236799687 944573692 /nfs/dbraw/zinc/57/36/92/944573692.db2.gz VWMUPEPXRLWARR-BDAKNGLRSA-N 1 2 289.734 1.959 20 10 CDCDLO COc1cc(O)c(C[N@H+]2C[C@H](F)C[C@H]2CO)c(Cl)c1 ZINC001236799687 944573700 /nfs/dbraw/zinc/57/37/00/944573700.db2.gz VWMUPEPXRLWARR-BDAKNGLRSA-N 1 2 289.734 1.959 20 10 CDCDLO COc1cc(C)c(C[N@@H+]2CCO[C@@H](C(C)=O)C2)c(O)c1 ZINC001236815681 944578362 /nfs/dbraw/zinc/57/83/62/944578362.db2.gz MPGOEXKLTOMSJP-OAHLLOKOSA-N 1 2 279.336 1.499 20 10 CDCDLO COc1cc(C)c(C[N@H+]2CCO[C@@H](C(C)=O)C2)c(O)c1 ZINC001236815681 944578369 /nfs/dbraw/zinc/57/83/69/944578369.db2.gz MPGOEXKLTOMSJP-OAHLLOKOSA-N 1 2 279.336 1.499 20 10 CDCDLO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c(O)c(OC)c1 ZINC001237668795 944917592 /nfs/dbraw/zinc/91/75/92/944917592.db2.gz GJHWFRODOLEUKB-NWDGAFQWSA-N 1 2 285.315 1.314 20 10 CDCDLO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c(O)c(OC)c1 ZINC001237668795 944917596 /nfs/dbraw/zinc/91/75/96/944917596.db2.gz GJHWFRODOLEUKB-NWDGAFQWSA-N 1 2 285.315 1.314 20 10 CDCDLO COc1cc(C)cc(C[N@H+](C)Cc2cn(C)nn2)c1O ZINC001330047632 956251627 /nfs/dbraw/zinc/25/16/27/956251627.db2.gz WVCZPGBOXYAASA-UHFFFAOYSA-N 1 2 276.340 1.470 20 10 CDCDLO COc1cc(C)cc(C[N@@H+](C)Cc2cn(C)nn2)c1O ZINC001330047632 956251634 /nfs/dbraw/zinc/25/16/34/956251634.db2.gz WVCZPGBOXYAASA-UHFFFAOYSA-N 1 2 276.340 1.470 20 10 CDCDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001308691336 956565587 /nfs/dbraw/zinc/56/55/87/956565587.db2.gz BQQZRDAOECFHET-YACGNSKGSA-N 1 2 296.317 1.756 20 10 CDCDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(F)c(F)cc1O ZINC001308691336 956565593 /nfs/dbraw/zinc/56/55/93/956565593.db2.gz BQQZRDAOECFHET-YACGNSKGSA-N 1 2 296.317 1.756 20 10 CDCDLO C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(F)cc1O ZINC001320702292 959336291 /nfs/dbraw/zinc/33/62/91/959336291.db2.gz QNSMYNNDIQXQDM-VIFPVBQESA-N 1 2 292.314 1.504 20 10 CDCDLO COC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000271154922 364946833 /nfs/dbraw/zinc/94/68/33/364946833.db2.gz AUBPGKYMNWZLSE-ZDUSSCGKSA-N 1 2 282.359 1.739 20 10 CDCDLO COC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000271154922 364946840 /nfs/dbraw/zinc/94/68/40/364946840.db2.gz AUBPGKYMNWZLSE-ZDUSSCGKSA-N 1 2 282.359 1.739 20 10 CDCDLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273433948 365495222 /nfs/dbraw/zinc/49/52/22/365495222.db2.gz WMVBLMSQFMATJV-BDAKNGLRSA-N 1 2 281.312 1.476 20 10 CDCDLO CN1CCN(C)[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000224811521 367335741 /nfs/dbraw/zinc/33/57/41/367335741.db2.gz BIWOAIXNJZNAJX-LBPRGKRZSA-N 1 2 283.803 1.381 20 10 CDCDLO COCC[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000281797542 367688838 /nfs/dbraw/zinc/68/88/38/367688838.db2.gz YECDCEUIRSOAJK-ZJUUUORDSA-N 1 2 284.312 1.348 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CC(=O)NCC2(C)C)c1 ZINC000282684396 367991451 /nfs/dbraw/zinc/99/14/51/367991451.db2.gz IMRWWLMNMUBTTF-UHFFFAOYSA-N 1 2 264.325 1.111 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CC(=O)NCC2(C)C)c1 ZINC000282684396 367991454 /nfs/dbraw/zinc/99/14/54/367991454.db2.gz IMRWWLMNMUBTTF-UHFFFAOYSA-N 1 2 264.325 1.111 20 10 CDCDLO CC(C)NC(=O)OC1C[NH+](Cc2ccccc2O)C1 ZINC000297509944 371998558 /nfs/dbraw/zinc/99/85/58/371998558.db2.gz XBSFYAAOMWSCKF-UHFFFAOYSA-N 1 2 264.325 1.711 20 10 CDCDLO C[C@@H]([NH2+]CCC[C@H](C)O)c1cccc(-c2nn[nH]n2)c1O ZINC001589998328 1173226884 /nfs/dbraw/zinc/22/68/84/1173226884.db2.gz RKGQXFXBNMKENH-VHSXEESVSA-N 1 2 291.355 1.384 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](C(=O)OC)C2)cc1 ZINC000773750210 575837718 /nfs/dbraw/zinc/83/77/18/575837718.db2.gz XDWIFNXSHIBQBW-HNNXBMFYSA-N 1 2 292.379 1.517 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](C(=O)OC)C2)cc1 ZINC000773750210 575837719 /nfs/dbraw/zinc/83/77/19/575837719.db2.gz XDWIFNXSHIBQBW-HNNXBMFYSA-N 1 2 292.379 1.517 20 10 CDCDLO O=C1C[N@H+](Cc2c(O)cccc2Cl)CCCN1 ZINC000769116868 576331941 /nfs/dbraw/zinc/33/19/41/576331941.db2.gz WNJKLWSSWCVUKF-UHFFFAOYSA-N 1 2 254.717 1.368 20 10 CDCDLO O=C1C[N@@H+](Cc2c(O)cccc2Cl)CCCN1 ZINC000769116868 576331942 /nfs/dbraw/zinc/33/19/42/576331942.db2.gz WNJKLWSSWCVUKF-UHFFFAOYSA-N 1 2 254.717 1.368 20 10 CDCDLO COc1cccc(O)c1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000769468762 576356986 /nfs/dbraw/zinc/35/69/86/576356986.db2.gz OIMYMPKCRJOCOF-UHFFFAOYSA-N 1 2 259.309 1.682 20 10 CDCDLO COc1cccc(O)c1C[N@H+]1CCc2c[nH]nc2C1 ZINC000769468762 576356990 /nfs/dbraw/zinc/35/69/90/576356990.db2.gz OIMYMPKCRJOCOF-UHFFFAOYSA-N 1 2 259.309 1.682 20 10 CDCDLO COc1cccc(O)c1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000769468762 576356992 /nfs/dbraw/zinc/35/69/92/576356992.db2.gz OIMYMPKCRJOCOF-UHFFFAOYSA-N 1 2 259.309 1.682 20 10 CDCDLO COc1cccc(O)c1C[N@H+]1CCc2cn[nH]c2C1 ZINC000769468762 576356995 /nfs/dbraw/zinc/35/69/95/576356995.db2.gz OIMYMPKCRJOCOF-UHFFFAOYSA-N 1 2 259.309 1.682 20 10 CDCDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000756809832 577005953 /nfs/dbraw/zinc/00/59/53/577005953.db2.gz RVQYJXLJIJSZRP-VIFPVBQESA-N 1 2 277.349 1.817 20 10 CDCDLO COc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c(O)c1OC ZINC000893884947 618138602 /nfs/dbraw/zinc/13/86/02/618138602.db2.gz ILQBSJCFKFDIPL-JTQLQIEISA-N 1 2 294.351 1.072 20 10 CDCDLO COc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c(O)c1OC ZINC000893884947 618138606 /nfs/dbraw/zinc/13/86/06/618138606.db2.gz ILQBSJCFKFDIPL-JTQLQIEISA-N 1 2 294.351 1.072 20 10 CDCDLO Oc1c(F)cc(F)cc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895259358 619503064 /nfs/dbraw/zinc/50/30/64/619503064.db2.gz LIJLJUUJPWEDBO-CYBMUJFWSA-N 1 2 298.333 1.577 20 10 CDCDLO O=C1CCCN1C1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000897783940 621119710 /nfs/dbraw/zinc/11/97/10/621119710.db2.gz MWNFSCBZDAEWSX-UHFFFAOYSA-N 1 2 264.300 1.338 20 10 CDCDLO NOCCC[NH2+]Cc1cccc(Br)c1O ZINC000904456901 626301168 /nfs/dbraw/zinc/30/11/68/626301168.db2.gz MRIZQLJLHSFGQW-UHFFFAOYSA-N 1 2 275.146 1.525 20 10 CDCDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910944508 629125885 /nfs/dbraw/zinc/12/58/85/629125885.db2.gz NCSBJMPQTQHNBB-VXGBXAGGSA-N 1 2 287.319 1.251 20 10 CDCDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000832431540 693971796 /nfs/dbraw/zinc/97/17/96/693971796.db2.gz QIXFJDKXQUIBPA-LLVKDONJSA-N 1 2 272.352 1.896 20 10 CDCDLO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](NC(N)=O)C2)cc1F ZINC000862252849 694064832 /nfs/dbraw/zinc/06/48/32/694064832.db2.gz HVSMBXYHMZJYOF-SNVBAGLBSA-N 1 2 298.337 1.273 20 10 CDCDLO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1F ZINC000862252849 694064838 /nfs/dbraw/zinc/06/48/38/694064838.db2.gz HVSMBXYHMZJYOF-SNVBAGLBSA-N 1 2 298.337 1.273 20 10 CDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862396416 694093033 /nfs/dbraw/zinc/09/30/33/694093033.db2.gz PDAMANMSDUJPTG-LBPRGKRZSA-N 1 2 297.349 1.741 20 10 CDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862396416 694093039 /nfs/dbraw/zinc/09/30/39/694093039.db2.gz PDAMANMSDUJPTG-LBPRGKRZSA-N 1 2 297.349 1.741 20 10 CDCDLO C[C@H](NCC(F)(F)C[NH3+])c1cc(F)cc(F)c1O ZINC000817966494 694316808 /nfs/dbraw/zinc/31/68/08/694316808.db2.gz PBPQHWQRMYPPAN-LURJTMIESA-N 1 2 266.238 1.915 20 10 CDCDLO CC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCNC1=O ZINC000799737716 692594608 /nfs/dbraw/zinc/59/46/08/692594608.db2.gz LVMYCAKKEGWRDS-LLVKDONJSA-N 1 2 286.734 1.895 20 10 CDCDLO CC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCNC1=O ZINC000799737716 692594599 /nfs/dbraw/zinc/59/45/99/692594599.db2.gz LVMYCAKKEGWRDS-LLVKDONJSA-N 1 2 286.734 1.895 20 10 CDCDLO CC[N@H+](CC(=O)N(C)C)Cc1cc(F)cc(F)c1O ZINC000708413726 692614213 /nfs/dbraw/zinc/61/42/13/692614213.db2.gz NKCCTURXTVMTKV-UHFFFAOYSA-N 1 2 272.295 1.581 20 10 CDCDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(F)cc(F)c1O ZINC000708413726 692614216 /nfs/dbraw/zinc/61/42/16/692614216.db2.gz NKCCTURXTVMTKV-UHFFFAOYSA-N 1 2 272.295 1.581 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](C)OC ZINC000823576344 693422454 /nfs/dbraw/zinc/42/24/54/693422454.db2.gz NGDNPRMIFHGCIP-LBPRGKRZSA-N 1 2 281.352 1.792 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](C)OC ZINC000823576344 693422462 /nfs/dbraw/zinc/42/24/62/693422462.db2.gz NGDNPRMIFHGCIP-LBPRGKRZSA-N 1 2 281.352 1.792 20 10 CDCDLO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(F)cc(F)c1O ZINC000840826409 694728993 /nfs/dbraw/zinc/72/89/93/694728993.db2.gz XJYIAYAIGHFICV-IUCAKERBSA-N 1 2 284.306 1.847 20 10 CDCDLO COCCOC1C[NH+](Cc2cccc(F)c2O)C1 ZINC000838987679 694874075 /nfs/dbraw/zinc/87/40/75/694874075.db2.gz QIKQLQHOCYKTKN-UHFFFAOYSA-N 1 2 255.289 1.379 20 10 CDCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](CO)O1 ZINC000787418490 694890738 /nfs/dbraw/zinc/89/07/38/694890738.db2.gz WQRMNMXXDLRWFN-VHSXEESVSA-N 1 2 271.744 1.627 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](CO)O1 ZINC000787418490 694890740 /nfs/dbraw/zinc/89/07/40/694890740.db2.gz WQRMNMXXDLRWFN-VHSXEESVSA-N 1 2 271.744 1.627 20 10 CDCDLO C[C@H]([NH2+]CC[NH2+]C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817953970 723650342 /nfs/dbraw/zinc/65/03/42/723650342.db2.gz TXQOBYDSVNFEIB-VIFPVBQESA-N 1 2 265.313 1.703 20 10 CDCDLO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2O)C1 ZINC000857084346 723626092 /nfs/dbraw/zinc/62/60/92/723626092.db2.gz NPCJDVDMVFPWJR-LDYMZIIASA-N 1 2 284.306 1.942 20 10 CDCDLO CC1(C)CN(C2C[NH+](Cc3cc(F)ccc3O)C2)CCO1 ZINC001140054925 894751042 /nfs/dbraw/zinc/75/10/42/894751042.db2.gz AGDUGGZVRJKMHC-UHFFFAOYSA-N 1 2 294.370 1.826 20 10 CDCDLO COC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCO1 ZINC001140465389 896210160 /nfs/dbraw/zinc/21/01/60/896210160.db2.gz LHVPPDHAMXUOCI-LBPRGKRZSA-N 1 2 271.744 1.893 20 10 CDCDLO COC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCO1 ZINC001140465389 896210173 /nfs/dbraw/zinc/21/01/73/896210173.db2.gz LHVPPDHAMXUOCI-LBPRGKRZSA-N 1 2 271.744 1.893 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1ccc(O)c(C)c1O)C1CC1 ZINC001140750272 898179644 /nfs/dbraw/zinc/17/96/44/898179644.db2.gz ZUXIWGIFRHWJGN-UHFFFAOYSA-N 1 2 279.336 1.934 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1ccc(O)c(C)c1O)C1CC1 ZINC001140750272 898179652 /nfs/dbraw/zinc/17/96/52/898179652.db2.gz ZUXIWGIFRHWJGN-UHFFFAOYSA-N 1 2 279.336 1.934 20 10 CDCDLO COC[C@@](C)(O)C[NH2+]Cc1cccc(Cl)c1O ZINC000382553693 936615992 /nfs/dbraw/zinc/61/59/92/936615992.db2.gz HDXPTXOFSQDZFQ-LBPRGKRZSA-N 1 2 259.733 1.533 20 10 CDCDLO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@@H]21 ZINC001140584557 936728046 /nfs/dbraw/zinc/72/80/46/936728046.db2.gz WQABVMYJVNSUSJ-MSRIBSCDSA-N 1 2 297.301 1.911 20 10 CDCDLO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@@H]21 ZINC001140584557 936728047 /nfs/dbraw/zinc/72/80/47/936728047.db2.gz WQABVMYJVNSUSJ-MSRIBSCDSA-N 1 2 297.301 1.911 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@@H](C)C2)c(OC)c1 ZINC001141031272 936795256 /nfs/dbraw/zinc/79/52/56/936795256.db2.gz AXEJYBNFKFXXJR-JTQLQIEISA-N 1 2 279.336 1.820 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@@H](C)C2)c(OC)c1 ZINC001141031272 936795257 /nfs/dbraw/zinc/79/52/57/936795257.db2.gz AXEJYBNFKFXXJR-JTQLQIEISA-N 1 2 279.336 1.820 20 10 CDCDLO COC[C@@H]1C[N@H+](Cc2c(O)cccc2F)CCO1 ZINC001137840184 923116768 /nfs/dbraw/zinc/11/67/68/923116768.db2.gz SFHKVOFIKHBUPN-JTQLQIEISA-N 1 2 255.289 1.379 20 10 CDCDLO COC[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CCO1 ZINC001137840184 923116775 /nfs/dbraw/zinc/11/67/75/923116775.db2.gz SFHKVOFIKHBUPN-JTQLQIEISA-N 1 2 255.289 1.379 20 10 CDCDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078451 936809869 /nfs/dbraw/zinc/80/98/69/936809869.db2.gz WNBSWCIPCFIXNC-CYBMUJFWSA-N 1 2 299.418 1.706 20 10 CDCDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078451 936809872 /nfs/dbraw/zinc/80/98/72/936809872.db2.gz WNBSWCIPCFIXNC-CYBMUJFWSA-N 1 2 299.418 1.706 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCC1=O ZINC001141140395 936818693 /nfs/dbraw/zinc/81/86/93/936818693.db2.gz LNHQHADWVVTUDD-GFCCVEGCSA-N 1 2 274.364 1.926 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)CCC1=O ZINC001141140395 936818696 /nfs/dbraw/zinc/81/86/96/936818696.db2.gz LNHQHADWVVTUDD-GFCCVEGCSA-N 1 2 274.364 1.926 20 10 CDCDLO O=C(Cc1[nH]cc[nH+]1)NCc1cc(Cl)ccc1O ZINC000857548845 928720691 /nfs/dbraw/zinc/72/06/91/928720691.db2.gz XDVPILPLUWZEOZ-UHFFFAOYSA-N 1 2 265.700 1.628 20 10 CDCDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000783733170 937279450 /nfs/dbraw/zinc/27/94/50/937279450.db2.gz KAQLHKIVRZVLOS-GFCCVEGCSA-N 1 2 261.369 1.415 20 10 CDCDLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000783733170 937279453 /nfs/dbraw/zinc/27/94/53/937279453.db2.gz KAQLHKIVRZVLOS-GFCCVEGCSA-N 1 2 261.369 1.415 20 10 CDCDLO CCn1ncc(C[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000883184640 930158432 /nfs/dbraw/zinc/15/84/32/930158432.db2.gz BGRMNLDYEJPZDY-UHFFFAOYSA-N 1 2 268.267 1.572 20 10 CDCDLO Cc1ccc(C(=O)NCc2c[nH+]c3n2CCC3)c(O)c1O ZINC001154937107 937608493 /nfs/dbraw/zinc/60/84/93/937608493.db2.gz FNERHAARMWOYHX-UHFFFAOYSA-N 1 2 287.319 1.479 20 10 CDCDLO CN(C)c1ccc(C[NH+]2C[C@@H](F)[C@H](F)C2)c(O)c1 ZINC001232836836 943414001 /nfs/dbraw/zinc/41/40/01/943414001.db2.gz UYSIKGOQQMGMBJ-VXGBXAGGSA-N 1 2 256.296 1.950 20 10 CDCDLO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233015558 943463661 /nfs/dbraw/zinc/46/36/61/943463661.db2.gz SJQBBAHUVLVOCN-IWIIMEHWSA-N 1 2 293.319 1.044 20 10 CDCDLO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233015558 943463662 /nfs/dbraw/zinc/46/36/62/943463662.db2.gz SJQBBAHUVLVOCN-IWIIMEHWSA-N 1 2 293.319 1.044 20 10 CDCDLO Oc1c(C[NH+]2CC(C3COC3)C2)ccc(F)c1F ZINC001233074305 943485703 /nfs/dbraw/zinc/48/57/03/943485703.db2.gz MIMSSCMEYJOHPR-UHFFFAOYSA-N 1 2 255.264 1.749 20 10 CDCDLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336019 943548103 /nfs/dbraw/zinc/54/81/03/943548103.db2.gz VLHJXQGBOUWKIO-JTQLQIEISA-N 1 2 284.306 1.723 20 10 CDCDLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336019 943548109 /nfs/dbraw/zinc/54/81/09/943548109.db2.gz VLHJXQGBOUWKIO-JTQLQIEISA-N 1 2 284.306 1.723 20 10 CDCDLO Oc1cc(O)c(C[NH+]2CC3(C2)CCCCO3)cc1O ZINC001233483336 943592335 /nfs/dbraw/zinc/59/23/35/943592335.db2.gz WEXIONZPPURYCQ-UHFFFAOYSA-N 1 2 265.309 1.558 20 10 CDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294400325 199025634 /nfs/dbraw/zinc/02/56/34/199025634.db2.gz CLEBYDKBQIHSJW-ZFWWWQNUSA-N 1 2 292.379 1.169 20 10 CDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294400325 199025636 /nfs/dbraw/zinc/02/56/36/199025636.db2.gz CLEBYDKBQIHSJW-ZFWWWQNUSA-N 1 2 292.379 1.169 20 10 CDCDLO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(Cl)c2O)[C@@H](C)C1 ZINC000281129854 367593792 /nfs/dbraw/zinc/59/37/92/367593792.db2.gz YEKPLKSSWVHKDE-NWDGAFQWSA-N 1 2 298.814 1.933 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CC(=O)NCC2(C)C)cc1OC ZINC000282716744 368005507 /nfs/dbraw/zinc/00/55/07/368005507.db2.gz LGCLVBCKFFTAJM-UHFFFAOYSA-N 1 2 294.351 1.120 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CC(=O)NCC2(C)C)cc1OC ZINC000282716744 368005514 /nfs/dbraw/zinc/00/55/14/368005514.db2.gz LGCLVBCKFFTAJM-UHFFFAOYSA-N 1 2 294.351 1.120 20 10 CDCDLO COc1cccc(CNC(=O)NCCn2cc[nH+]c2)c1O ZINC000173883472 391114063 /nfs/dbraw/zinc/11/40/63/391114063.db2.gz KBVXIBUBESUVTR-UHFFFAOYSA-N 1 2 290.323 1.097 20 10 CDCDLO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[S@](=O)C1 ZINC000277564695 524614466 /nfs/dbraw/zinc/61/44/66/524614466.db2.gz SDCZFIWAYYYFSV-FVINQWEUSA-N 1 2 297.376 1.321 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[S@](=O)C1 ZINC000277564695 524614473 /nfs/dbraw/zinc/61/44/73/524614473.db2.gz SDCZFIWAYYYFSV-FVINQWEUSA-N 1 2 297.376 1.321 20 10 CDCDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769516361 575355237 /nfs/dbraw/zinc/35/52/37/575355237.db2.gz SZRVBSSDRBFQCU-OAHLLOKOSA-N 1 2 293.386 1.992 20 10 CDCDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769516361 575355239 /nfs/dbraw/zinc/35/52/39/575355239.db2.gz SZRVBSSDRBFQCU-OAHLLOKOSA-N 1 2 293.386 1.992 20 10 CDCDLO COc1ccc(O)c(CNC(=O)c2cccc3[nH+]ccn32)c1 ZINC000770659688 575481968 /nfs/dbraw/zinc/48/19/68/575481968.db2.gz UIRGOAFCGQSDHZ-UHFFFAOYSA-N 1 2 297.314 1.979 20 10 CDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(F)(F)CO)c1 ZINC000768286743 576268202 /nfs/dbraw/zinc/26/82/02/576268202.db2.gz NVVAATKQALWUTH-QMMMGPOBSA-N 1 2 289.278 1.457 20 10 CDCDLO O=C1C[N@H+](Cc2cc(Cl)ccc2O)CCCN1 ZINC000769115088 576331618 /nfs/dbraw/zinc/33/16/18/576331618.db2.gz NVUMRXHUIFXQIQ-UHFFFAOYSA-N 1 2 254.717 1.368 20 10 CDCDLO O=C1C[N@@H+](Cc2cc(Cl)ccc2O)CCCN1 ZINC000769115088 576331620 /nfs/dbraw/zinc/33/16/20/576331620.db2.gz NVUMRXHUIFXQIQ-UHFFFAOYSA-N 1 2 254.717 1.368 20 10 CDCDLO C[N@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCCCNC1=O ZINC000893983820 618237185 /nfs/dbraw/zinc/23/71/85/618237185.db2.gz GJZXYAJOLHNGJI-GFCCVEGCSA-N 1 2 284.306 1.771 20 10 CDCDLO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCCCNC1=O ZINC000893983820 618237187 /nfs/dbraw/zinc/23/71/87/618237187.db2.gz GJZXYAJOLHNGJI-GFCCVEGCSA-N 1 2 284.306 1.771 20 10 CDCDLO C[NH+]1CCN(C(=O)CSc2nccs2)CC1 ZINC000917525616 632229631 /nfs/dbraw/zinc/22/96/31/632229631.db2.gz DHWXQWIUCYBBPT-UHFFFAOYSA-N 1 2 257.384 1.009 20 10 CDCDLO CO[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000931035461 695210360 /nfs/dbraw/zinc/21/03/60/695210360.db2.gz NQJUSVRFTWKWKO-MRXNPFEDSA-N 1 2 292.379 1.328 20 10 CDCDLO CO[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000931035461 695210363 /nfs/dbraw/zinc/21/03/63/695210363.db2.gz NQJUSVRFTWKWKO-MRXNPFEDSA-N 1 2 292.379 1.328 20 10 CDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831925559 695350281 /nfs/dbraw/zinc/35/02/81/695350281.db2.gz YVHDTIVXNWJOIY-VIFPVBQESA-N 1 2 275.308 1.111 20 10 CDCDLO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)OC)c(O)c1 ZINC000793324938 1162412950 /nfs/dbraw/zinc/41/29/50/1162412950.db2.gz ONQRRBGSWZMDMQ-SNVBAGLBSA-N 1 2 267.325 1.784 20 10 CDCDLO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC)c(O)c1 ZINC000793324938 1162412952 /nfs/dbraw/zinc/41/29/52/1162412952.db2.gz ONQRRBGSWZMDMQ-SNVBAGLBSA-N 1 2 267.325 1.784 20 10 CDCDLO Cc1cc(N(C)C)ccc1CNC(=O)Cc1c[nH+]cn1C ZINC000806868133 1162713962 /nfs/dbraw/zinc/71/39/62/1162713962.db2.gz DJDTXLIZPSEEPG-UHFFFAOYSA-N 1 2 286.379 1.653 20 10 CDCDLO CC[C@@H]([NH2+]CCOC)c1cccc(-c2nn[nH]n2)c1O ZINC001604052960 1175734975 /nfs/dbraw/zinc/73/49/75/1175734975.db2.gz ADXZAULXJDLGGT-LLVKDONJSA-N 1 2 277.328 1.259 20 10 CDCDLO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000778929903 723742621 /nfs/dbraw/zinc/74/26/21/723742621.db2.gz OIMRCSQFZJTUJY-LLVKDONJSA-N 1 2 287.319 1.173 20 10 CDCDLO Cc1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(O)c1 ZINC000877627104 723755261 /nfs/dbraw/zinc/75/52/61/723755261.db2.gz JKAZBVJGZUMEQO-HNNXBMFYSA-N 1 2 276.380 1.607 20 10 CDCDLO C[NH+]1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775633799 723790200 /nfs/dbraw/zinc/79/02/00/723790200.db2.gz KPRQJDYYGNRCGG-UHFFFAOYSA-N 1 2 258.724 1.932 20 10 CDCDLO CCNC(=O)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000124559708 724766942 /nfs/dbraw/zinc/76/69/42/724766942.db2.gz JBIPKGVYQGCGLG-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO CCNC(=O)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000124559708 724766948 /nfs/dbraw/zinc/76/69/48/724766948.db2.gz JBIPKGVYQGCGLG-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO O=S(=O)(CC[NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000840966386 723750486 /nfs/dbraw/zinc/75/04/86/723750486.db2.gz TYGNSGGBRKHEIS-UHFFFAOYSA-N 1 2 289.784 1.712 20 10 CDCDLO CSCc1n[nH]c(C[NH2+]Cc2ccccc2O)n1 ZINC000886327937 723857243 /nfs/dbraw/zinc/85/72/43/723857243.db2.gz VWTWLJQXGQGFCH-UHFFFAOYSA-N 1 2 264.354 1.663 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000862755007 725045041 /nfs/dbraw/zinc/04/50/41/725045041.db2.gz NBUCCSNXUJJTSE-LLVKDONJSA-N 1 2 273.336 1.919 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000862755007 725045045 /nfs/dbraw/zinc/04/50/45/725045045.db2.gz NBUCCSNXUJJTSE-LLVKDONJSA-N 1 2 273.336 1.919 20 10 CDCDLO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1c(O)cccc1F ZINC000886639424 725052762 /nfs/dbraw/zinc/05/27/62/725052762.db2.gz CZCCARMDQKSTKG-ONGXEEELSA-N 1 2 279.315 1.649 20 10 CDCDLO O=C1NCCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000839196099 725256302 /nfs/dbraw/zinc/25/63/02/725256302.db2.gz QTMYBWYIRDBQCP-SNVBAGLBSA-N 1 2 268.744 1.661 20 10 CDCDLO C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000841299906 725267245 /nfs/dbraw/zinc/26/72/45/725267245.db2.gz JREXHJYHLIPRAN-VXGBXAGGSA-N 1 2 292.383 1.500 20 10 CDCDLO CCOC(=O)[C@H]([NH2+]Cc1ccccc1O)[C@@H]1CCCOC1 ZINC000789578882 725297505 /nfs/dbraw/zinc/29/75/05/725297505.db2.gz DBKIMFJNWNZIGM-UKRRQHHQSA-N 1 2 293.363 1.840 20 10 CDCDLO CCN(CC[NH3+])Cc1cccc(Br)c1O ZINC000863645583 725437251 /nfs/dbraw/zinc/43/72/51/725437251.db2.gz ZEDIVOWZDKMSLX-UHFFFAOYSA-N 1 2 273.174 1.935 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)CCn2cc[nH+]c2)c1 ZINC000862760845 725937016 /nfs/dbraw/zinc/93/70/16/725937016.db2.gz WILTYGWLUSOVCR-UHFFFAOYSA-N 1 2 259.309 1.604 20 10 CDCDLO O=C(CCc1[nH]cc[nH+]1)N1CCc2cccc(O)c2C1 ZINC001177994106 915113255 /nfs/dbraw/zinc/11/32/55/915113255.db2.gz DGZPWARLSSMVPR-UHFFFAOYSA-N 1 2 271.320 1.633 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCN1C ZINC001140465641 936712421 /nfs/dbraw/zinc/71/24/21/936712421.db2.gz PBQWPTSJFDQGSU-LBPRGKRZSA-N 1 2 298.770 1.335 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCN1C ZINC001140465641 936712422 /nfs/dbraw/zinc/71/24/22/936712422.db2.gz PBQWPTSJFDQGSU-LBPRGKRZSA-N 1 2 298.770 1.335 20 10 CDCDLO CC(=O)NC1C[NH+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076474 936810114 /nfs/dbraw/zinc/81/01/14/936810114.db2.gz SUPGXBZTKYQHLF-UHFFFAOYSA-N 1 2 299.418 1.706 20 10 CDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141143927 936819257 /nfs/dbraw/zinc/81/92/57/936819257.db2.gz OBCGDCFCAMBKMQ-NSHDSACASA-N 1 2 278.352 1.509 20 10 CDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141143927 936819260 /nfs/dbraw/zinc/81/92/60/936819260.db2.gz OBCGDCFCAMBKMQ-NSHDSACASA-N 1 2 278.352 1.509 20 10 CDCDLO O=C1N[C@H]2C[N@H+](Cc3cc(F)cc(F)c3O)CC[C@@H]2CO1 ZINC001119450390 937720925 /nfs/dbraw/zinc/72/09/25/937720925.db2.gz QZPILTNJPRADPF-PELKAZGASA-N 1 2 298.289 1.601 20 10 CDCDLO O=C1N[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)CC[C@@H]2CO1 ZINC001119450390 937720928 /nfs/dbraw/zinc/72/09/28/937720928.db2.gz QZPILTNJPRADPF-PELKAZGASA-N 1 2 298.289 1.601 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3cnccn3)CC2)cc1 ZINC001209781692 940641108 /nfs/dbraw/zinc/64/11/08/940641108.db2.gz JNOCGKZCXXFKKK-UHFFFAOYSA-N 1 2 284.363 1.807 20 10 CDCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001231909347 943039313 /nfs/dbraw/zinc/03/93/13/943039313.db2.gz JZPZCKMVWZOGCV-WDEREUQCSA-N 1 2 259.708 1.950 20 10 CDCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001231909347 943039322 /nfs/dbraw/zinc/03/93/22/943039322.db2.gz JZPZCKMVWZOGCV-WDEREUQCSA-N 1 2 259.708 1.950 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCn3nncc3C2)c(O)c1 ZINC001232840945 943416922 /nfs/dbraw/zinc/41/69/22/943416922.db2.gz NVDFHVQCZNWUIQ-UHFFFAOYSA-N 1 2 273.340 1.066 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCn3nncc3C2)c(O)c1 ZINC001232840945 943416925 /nfs/dbraw/zinc/41/69/25/943416925.db2.gz NVDFHVQCZNWUIQ-UHFFFAOYSA-N 1 2 273.340 1.066 20 10 CDCDLO CC(=O)N1CCC2(C[NH+](Cc3c(O)ccc(F)c3F)C2)C1 ZINC001233333678 943546076 /nfs/dbraw/zinc/54/60/76/943546076.db2.gz DQNBNHCAVWRFFN-UHFFFAOYSA-N 1 2 296.317 1.725 20 10 CDCDLO CC(=O)NC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233332025 943546993 /nfs/dbraw/zinc/54/69/93/943546993.db2.gz VDZCPOVDUBJWCO-UHFFFAOYSA-N 1 2 284.306 1.771 20 10 CDCDLO [NH3+][C@@]12CC[C@H]1CN(Cc1ccc(F)c(F)c1O)C2 ZINC001235991615 944357601 /nfs/dbraw/zinc/35/76/01/944357601.db2.gz ONRLJXFDROAQBE-TVQRCGJNSA-N 1 2 254.280 1.594 20 10 CDCDLO COc1ccc(C[N@H+]2CCC(=O)N(C)CC2)c(O)c1Cl ZINC001236811111 944576593 /nfs/dbraw/zinc/57/65/93/944576593.db2.gz HBMARHPNHVPDPZ-UHFFFAOYSA-N 1 2 298.770 1.718 20 10 CDCDLO COc1ccc(C[N@@H+]2CCC(=O)N(C)CC2)c(O)c1Cl ZINC001236811111 944576596 /nfs/dbraw/zinc/57/65/96/944576596.db2.gz HBMARHPNHVPDPZ-UHFFFAOYSA-N 1 2 298.770 1.718 20 10 CDCDLO Nc1[nH+]cccc1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001243478080 947130614 /nfs/dbraw/zinc/13/06/14/947130614.db2.gz YWALZUWUSWGZRG-UHFFFAOYSA-N 1 2 278.315 1.936 20 10 CDCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000076682383 342323187 /nfs/dbraw/zinc/32/31/87/342323187.db2.gz OHNCEXLXYUDQNC-ZJNREGCTSA-N 1 2 297.376 1.462 20 10 CDCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000076682383 342323188 /nfs/dbraw/zinc/32/31/88/342323188.db2.gz OHNCEXLXYUDQNC-ZJNREGCTSA-N 1 2 297.376 1.462 20 10 CDCDLO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(F)c(F)c1O ZINC000187806431 357809107 /nfs/dbraw/zinc/80/91/07/357809107.db2.gz XVKNDOSEEISYEW-SDBXPKJASA-N 1 2 273.279 1.472 20 10 CDCDLO C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1nncn1C ZINC000273612482 299345253 /nfs/dbraw/zinc/34/52/53/299345253.db2.gz WLNLURZVVYJSKD-IUCAKERBSA-N 1 2 291.311 1.841 20 10 CDCDLO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(F)cc2O)n1 ZINC000273446639 371165608 /nfs/dbraw/zinc/16/56/08/371165608.db2.gz NXAACHFUOQDSJJ-MRVPVSSYSA-N 1 2 264.304 1.851 20 10 CDCDLO Cc1nc(CC[NH2+][C@H](C)c2ccc(F)cc2O)n[nH]1 ZINC000273446639 371165614 /nfs/dbraw/zinc/16/56/14/371165614.db2.gz NXAACHFUOQDSJJ-MRVPVSSYSA-N 1 2 264.304 1.851 20 10 CDCDLO Cc1nnc(CC[NH2+][C@H](C)c2ccc(F)cc2O)[nH]1 ZINC000273446639 371165620 /nfs/dbraw/zinc/16/56/20/371165620.db2.gz NXAACHFUOQDSJJ-MRVPVSSYSA-N 1 2 264.304 1.851 20 10 CDCDLO Oc1c(CN2CC3(C2)CCC[NH2+]C3)ccc(F)c1F ZINC001580885662 1172564780 /nfs/dbraw/zinc/56/47/80/1172564780.db2.gz JQIZQMCIPUQCCM-UHFFFAOYSA-N 1 2 268.307 1.856 20 10 CDCDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(F)cc1O ZINC000186214195 262084539 /nfs/dbraw/zinc/08/45/39/262084539.db2.gz CKMZANPEIGELHI-QMMMGPOBSA-N 1 2 250.277 1.511 20 10 CDCDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ncn(C)n1 ZINC000275846073 326948554 /nfs/dbraw/zinc/94/85/54/326948554.db2.gz QXMVJNGGCJAOSB-JTQLQIEISA-N 1 2 258.325 1.601 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000377836024 329031256 /nfs/dbraw/zinc/03/12/56/329031256.db2.gz YHHAKFZOBZIHSH-LBPRGKRZSA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000377836024 329031258 /nfs/dbraw/zinc/03/12/58/329031258.db2.gz YHHAKFZOBZIHSH-LBPRGKRZSA-N 1 2 299.754 1.810 20 10 CDCDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1=CC(=O)CS1 ZINC000768845958 576313106 /nfs/dbraw/zinc/31/31/06/576313106.db2.gz LEUBKIZYJSGQEV-DTWKUNHWSA-N 1 2 254.355 1.618 20 10 CDCDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1=CC(=O)CS1 ZINC000768845958 576313108 /nfs/dbraw/zinc/31/31/08/576313108.db2.gz LEUBKIZYJSGQEV-DTWKUNHWSA-N 1 2 254.355 1.618 20 10 CDCDLO O=C(C1=CC(=O)CS1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000754455672 576897253 /nfs/dbraw/zinc/89/72/53/576897253.db2.gz XNZDBVVQJHNTOO-NSHDSACASA-N 1 2 296.392 1.248 20 10 CDCDLO CNC(=O)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756483757 576991753 /nfs/dbraw/zinc/99/17/53/576991753.db2.gz PQIYOXQWIFQGCN-QMMMGPOBSA-N 1 2 272.295 1.847 20 10 CDCDLO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756577941 576996705 /nfs/dbraw/zinc/99/67/05/576996705.db2.gz SWXSDTZMAUIPGP-SDBXPKJASA-N 1 2 275.295 1.718 20 10 CDCDLO CCN1CC[N@H+](Cc2cc(Cl)ccc2O)CC1=O ZINC000758016034 577067684 /nfs/dbraw/zinc/06/76/84/577067684.db2.gz UISUDFWKQNWUOQ-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO CCN1CC[N@@H+](Cc2cc(Cl)ccc2O)CC1=O ZINC000758016034 577067685 /nfs/dbraw/zinc/06/76/85/577067685.db2.gz UISUDFWKQNWUOQ-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c1O ZINC000894535971 618946690 /nfs/dbraw/zinc/94/66/90/618946690.db2.gz ZUGIZOZLEYGLGM-LLVKDONJSA-N 1 2 278.352 1.372 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c1O ZINC000894535971 618946695 /nfs/dbraw/zinc/94/66/95/618946695.db2.gz ZUGIZOZLEYGLGM-LLVKDONJSA-N 1 2 278.352 1.372 20 10 CDCDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000898548660 621789272 /nfs/dbraw/zinc/78/92/72/621789272.db2.gz YUPKTSMMUZIOKL-GFCCVEGCSA-N 1 2 284.306 1.771 20 10 CDCDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000898548660 621789275 /nfs/dbraw/zinc/78/92/75/621789275.db2.gz YUPKTSMMUZIOKL-GFCCVEGCSA-N 1 2 284.306 1.771 20 10 CDCDLO CN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc(N)cc1 ZINC000234340190 1178217717 /nfs/dbraw/zinc/21/77/17/1178217717.db2.gz OBNCRCKODNIMQI-UHFFFAOYSA-N 1 2 277.349 1.630 20 10 CDCDLO Oc1c(Br)cccc1C[NH2+]CCN1CCC1 ZINC000381499873 726921683 /nfs/dbraw/zinc/92/16/83/726921683.db2.gz CGRBHJLRMIXGQF-UHFFFAOYSA-N 1 2 285.185 1.950 20 10 CDCDLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000799737796 726138935 /nfs/dbraw/zinc/13/89/35/726138935.db2.gz NDBPVHMOPQDUDG-CPCISQLKSA-N 1 2 286.734 1.799 20 10 CDCDLO O=C(NCCCn1cc[nH+]c1)c1cccc(O)c1O ZINC000126242977 726371122 /nfs/dbraw/zinc/37/11/22/726371122.db2.gz COFAGDWSQHXZSJ-UHFFFAOYSA-N 1 2 261.281 1.114 20 10 CDCDLO CN(C)c1cc(F)c(C[NH2+]C2(C)COC2)cc1F ZINC000864050129 726860161 /nfs/dbraw/zinc/86/01/61/726860161.db2.gz VSTPRZULDPYFER-UHFFFAOYSA-N 1 2 256.296 1.909 20 10 CDCDLO C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817976893 727089509 /nfs/dbraw/zinc/08/95/09/727089509.db2.gz WNOZAMKKJMDJIV-GUBZILKMSA-N 1 2 283.303 1.651 20 10 CDCDLO C[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2O)[C@H](CO)C1 ZINC000877644929 727476886 /nfs/dbraw/zinc/47/68/86/727476886.db2.gz VVUYRSJYCQSKKI-NSHDSACASA-N 1 2 288.750 1.293 20 10 CDCDLO C[N@H+]1CCN(Cc2cc(Cl)cc(F)c2O)[C@H](CO)C1 ZINC000877644929 727476898 /nfs/dbraw/zinc/47/68/98/727476898.db2.gz VVUYRSJYCQSKKI-NSHDSACASA-N 1 2 288.750 1.293 20 10 CDCDLO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000825279186 727832659 /nfs/dbraw/zinc/83/26/59/727832659.db2.gz PPTHFKMUIZEZOW-SCZZXKLOSA-N 1 2 268.744 1.789 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000827884607 728051751 /nfs/dbraw/zinc/05/17/51/728051751.db2.gz DMUWVORRVHLVHO-UHFFFAOYSA-N 1 2 274.324 1.467 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000827884607 728051755 /nfs/dbraw/zinc/05/17/55/728051755.db2.gz DMUWVORRVHLVHO-UHFFFAOYSA-N 1 2 274.324 1.467 20 10 CDCDLO CCc1cccc(CN2CC[N@H+](C)C[C@H]2CO)c1O ZINC000877643189 728340377 /nfs/dbraw/zinc/34/03/77/728340377.db2.gz BYLXFEZIVYNOHM-AWEZNQCLSA-N 1 2 264.369 1.063 20 10 CDCDLO CCc1cccc(CN2CC[N@@H+](C)C[C@H]2CO)c1O ZINC000877643189 728340379 /nfs/dbraw/zinc/34/03/79/728340379.db2.gz BYLXFEZIVYNOHM-AWEZNQCLSA-N 1 2 264.369 1.063 20 10 CDCDLO C[NH2+][C@@]12CC[C@@](NC(=O)c3cc(O)[nH]c(=O)c3)(C1)CCC2 ZINC001269919320 904207245 /nfs/dbraw/zinc/20/72/45/904207245.db2.gz NDYVHRCOTUKAJM-LSDHHAIUSA-N 1 2 291.351 1.287 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCCN(C)C(=O)C2)cc1Cl ZINC001232269620 912076003 /nfs/dbraw/zinc/07/60/03/912076003.db2.gz HKTMPBQDCIKLFS-UHFFFAOYSA-N 1 2 298.770 1.718 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCCN(C)C(=O)C2)cc1Cl ZINC001232269620 912076011 /nfs/dbraw/zinc/07/60/11/912076011.db2.gz HKTMPBQDCIKLFS-UHFFFAOYSA-N 1 2 298.770 1.718 20 10 CDCDLO CCOC(=O)C1C[NH+](Cc2c(O)cccc2F)C1 ZINC001137837838 936419706 /nfs/dbraw/zinc/41/97/06/936419706.db2.gz WOKAIGZOTPOHGJ-UHFFFAOYSA-N 1 2 253.273 1.526 20 10 CDCDLO OCC1(O)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000827146888 936494245 /nfs/dbraw/zinc/49/42/45/936494245.db2.gz KMZSLEAJXXLWSF-UHFFFAOYSA-N 1 2 271.744 1.365 20 10 CDCDLO CC(C)(C)[N@@H+](Cc1c(O)cc(F)cc1F)C[C@@H](O)CO ZINC001140582081 936727292 /nfs/dbraw/zinc/72/72/92/936727292.db2.gz BUWNLLRMJLNQHV-SNVBAGLBSA-N 1 2 289.322 1.624 20 10 CDCDLO CC(C)(C)[N@H+](Cc1c(O)cc(F)cc1F)C[C@@H](O)CO ZINC001140582081 936727293 /nfs/dbraw/zinc/72/72/93/936727293.db2.gz BUWNLLRMJLNQHV-SNVBAGLBSA-N 1 2 289.322 1.624 20 10 CDCDLO COC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCO1 ZINC001141144592 936819477 /nfs/dbraw/zinc/81/94/77/936819477.db2.gz HQABDXXINJAZCG-AWEZNQCLSA-N 1 2 292.379 1.362 20 10 CDCDLO COC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)CCO1 ZINC001141144592 936819478 /nfs/dbraw/zinc/81/94/78/936819478.db2.gz HQABDXXINJAZCG-AWEZNQCLSA-N 1 2 292.379 1.362 20 10 CDCDLO CN1CCOc2cc(C[N@@H+]3CCOCC34CC4)ccc21 ZINC001141145710 936820189 /nfs/dbraw/zinc/82/01/89/936820189.db2.gz YRBLRJBNXWLHRB-UHFFFAOYSA-N 1 2 274.364 1.880 20 10 CDCDLO CN1CCOc2cc(C[N@H+]3CCOCC34CC4)ccc21 ZINC001141145710 936820190 /nfs/dbraw/zinc/82/01/90/936820190.db2.gz YRBLRJBNXWLHRB-UHFFFAOYSA-N 1 2 274.364 1.880 20 10 CDCDLO Oc1ccc(O)c(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c1 ZINC001141158827 936822477 /nfs/dbraw/zinc/82/24/77/936822477.db2.gz OICDSRBGJYVELW-OAHLLOKOSA-N 1 2 292.379 1.394 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142508643 937025479 /nfs/dbraw/zinc/02/54/79/937025479.db2.gz GNUONZOUHDXNBH-BDAKNGLRSA-N 1 2 261.243 1.575 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142508643 937025480 /nfs/dbraw/zinc/02/54/80/937025480.db2.gz GNUONZOUHDXNBH-BDAKNGLRSA-N 1 2 261.243 1.575 20 10 CDCDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccc(O)c(O)c1 ZINC001150511261 937235313 /nfs/dbraw/zinc/23/53/13/937235313.db2.gz RMUZDLOKIGGTJH-UHFFFAOYSA-N 1 2 289.335 1.386 20 10 CDCDLO Cn1nnc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)n1 ZINC000785617589 929162743 /nfs/dbraw/zinc/16/27/43/929162743.db2.gz OIRAEPIIAPQHCG-UHFFFAOYSA-N 1 2 295.346 1.873 20 10 CDCDLO CCc1cccc(C[NH+]2CCS(=O)CC2)c1O ZINC000692107014 934462027 /nfs/dbraw/zinc/46/20/27/934462027.db2.gz BECPUQXJZZJNJC-UHFFFAOYSA-N 1 2 253.367 1.519 20 10 CDCDLO Oc1ccc(C[NH+]2CC(Oc3cccnc3)C2)c(O)c1 ZINC001204274467 939750342 /nfs/dbraw/zinc/75/03/42/939750342.db2.gz BPKGPGAVKXIRMG-UHFFFAOYSA-N 1 2 272.304 1.756 20 10 CDCDLO CC(C)(C)N1CC[N@H+](Cc2ccc(O)cc2O)CC1=O ZINC001204278334 939751538 /nfs/dbraw/zinc/75/15/38/939751538.db2.gz DPQXVWRPZKZOMT-UHFFFAOYSA-N 1 2 278.352 1.541 20 10 CDCDLO CC(C)(C)N1CC[N@@H+](Cc2ccc(O)cc2O)CC1=O ZINC001204278334 939751539 /nfs/dbraw/zinc/75/15/39/939751539.db2.gz DPQXVWRPZKZOMT-UHFFFAOYSA-N 1 2 278.352 1.541 20 10 CDCDLO NC(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231909382 943051184 /nfs/dbraw/zinc/05/11/84/943051184.db2.gz KYQKAKFCHRWWDI-UHFFFAOYSA-N 1 2 283.759 1.678 20 10 CDCDLO Oc1c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)ccc(F)c1F ZINC001233074860 943485323 /nfs/dbraw/zinc/48/53/23/943485323.db2.gz YRIZLERXDLJHQX-SCZZXKLOSA-N 1 2 261.243 1.575 20 10 CDCDLO Oc1c(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)ccc(F)c1F ZINC001233074860 943485330 /nfs/dbraw/zinc/48/53/30/943485330.db2.gz YRIZLERXDLJHQX-SCZZXKLOSA-N 1 2 261.243 1.575 20 10 CDCDLO CC(C)(C)c1ccc(C[N@@H+]2CCNC(=O)C2)c(O)c1 ZINC001235676816 944242686 /nfs/dbraw/zinc/24/26/86/944242686.db2.gz VYMYEDDZOQRYEC-UHFFFAOYSA-N 1 2 262.353 1.622 20 10 CDCDLO CC(C)(C)c1ccc(C[N@H+]2CCNC(=O)C2)c(O)c1 ZINC001235676816 944242696 /nfs/dbraw/zinc/24/26/96/944242696.db2.gz VYMYEDDZOQRYEC-UHFFFAOYSA-N 1 2 262.353 1.622 20 10 CDCDLO [NH3+][C@]12CC[C@@H]1CN(Cc1ccc(F)c(F)c1O)C2 ZINC001235991612 944357131 /nfs/dbraw/zinc/35/71/31/944357131.db2.gz ONRLJXFDROAQBE-RNCFNFMXSA-N 1 2 254.280 1.594 20 10 CDCDLO COc1ccc(C[N@H+](C)CC(=O)N(C)C)c(O)c1Cl ZINC001236805497 944572510 /nfs/dbraw/zinc/57/25/10/944572510.db2.gz ABQWTHVDCIIJDC-UHFFFAOYSA-N 1 2 286.759 1.574 20 10 CDCDLO COc1ccc(C[N@@H+](C)CC(=O)N(C)C)c(O)c1Cl ZINC001236805497 944572514 /nfs/dbraw/zinc/57/25/14/944572514.db2.gz ABQWTHVDCIIJDC-UHFFFAOYSA-N 1 2 286.759 1.574 20 10 CDCDLO COc1cc(C)c(C[N@@H+]2CCO[C@H](C(C)=O)C2)c(O)c1 ZINC001236815678 944578195 /nfs/dbraw/zinc/57/81/95/944578195.db2.gz MPGOEXKLTOMSJP-HNNXBMFYSA-N 1 2 279.336 1.499 20 10 CDCDLO COc1cc(C)c(C[N@H+]2CCO[C@H](C(C)=O)C2)c(O)c1 ZINC001236815678 944578200 /nfs/dbraw/zinc/57/82/00/944578200.db2.gz MPGOEXKLTOMSJP-HNNXBMFYSA-N 1 2 279.336 1.499 20 10 CDCDLO O=C1NC[C@@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]12 ZINC001237798202 944953661 /nfs/dbraw/zinc/95/36/61/944953661.db2.gz AFVXAWPSNDWWDP-KWQFWETISA-N 1 2 298.745 1.753 20 10 CDCDLO O=C1NC[C@@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]12 ZINC001237798202 944953664 /nfs/dbraw/zinc/95/36/64/944953664.db2.gz AFVXAWPSNDWWDP-KWQFWETISA-N 1 2 298.745 1.753 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001308523642 956537779 /nfs/dbraw/zinc/53/77/79/956537779.db2.gz QPFODTYAVYYPTF-GUDFOSOFSA-N 1 2 275.707 1.159 20 10 CDCDLO Cn1cc[nH+]c1CCC(=O)NCc1ccc(O)cc1O ZINC001349952222 966539987 /nfs/dbraw/zinc/53/99/87/966539987.db2.gz XDILGBPEQNUUOY-UHFFFAOYSA-N 1 2 275.308 1.080 20 10 CDCDLO C[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000025480336 356676387 /nfs/dbraw/zinc/67/63/87/356676387.db2.gz AMWOYOQKEAWDCG-VIFPVBQESA-N 1 2 251.282 1.342 20 10 CDCDLO C[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000025480336 356676392 /nfs/dbraw/zinc/67/63/92/356676392.db2.gz AMWOYOQKEAWDCG-VIFPVBQESA-N 1 2 251.282 1.342 20 10 CDCDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000128860713 360765441 /nfs/dbraw/zinc/76/54/41/360765441.db2.gz BUGTZAVRMQNBNM-NSHDSACASA-N 1 2 292.335 1.221 20 10 CDCDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000128860713 360765444 /nfs/dbraw/zinc/76/54/44/360765444.db2.gz BUGTZAVRMQNBNM-NSHDSACASA-N 1 2 292.335 1.221 20 10 CDCDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)C(=O)N(C)C ZINC000188993741 299345443 /nfs/dbraw/zinc/34/54/43/299345443.db2.gz ABQMPONYKFCXAU-YUMQZZPRSA-N 1 2 272.295 1.798 20 10 CDCDLO C[C@@H](CN1CCOCC1)[NH2+]Cc1cccc(Cl)c1O ZINC000124708116 391224949 /nfs/dbraw/zinc/22/49/49/391224949.db2.gz QATQUFUVBKCBFP-NSHDSACASA-N 1 2 284.787 1.856 20 10 CDCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000229642173 261209028 /nfs/dbraw/zinc/20/90/28/261209028.db2.gz WCCKBDLIZYNDKY-LBPRGKRZSA-N 1 2 292.162 1.940 20 10 CDCDLO C[C@@H]([NH2+]Cc1nncn1C)c1ccc(F)cc1O ZINC000062747798 525567654 /nfs/dbraw/zinc/56/76/54/525567654.db2.gz RHUVFPXVTUBZSE-MRVPVSSYSA-N 1 2 250.277 1.511 20 10 CDCDLO C[C@@]1([NH2+]Cc2cccc(Cl)c2O)CCOC1=O ZINC000290822832 525875857 /nfs/dbraw/zinc/87/58/57/525875857.db2.gz GZNOAUIODSLDKK-GFCCVEGCSA-N 1 2 255.701 1.841 20 10 CDCDLO COC(=O)N1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768931122 576318110 /nfs/dbraw/zinc/31/81/10/576318110.db2.gz GKRGKSZNDNBVKL-UHFFFAOYSA-N 1 2 280.324 1.285 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000769446026 576354380 /nfs/dbraw/zinc/35/43/80/576354380.db2.gz KCNPPCZAUZEHFV-NSHDSACASA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000769446026 576354383 /nfs/dbraw/zinc/35/43/83/576354383.db2.gz KCNPPCZAUZEHFV-NSHDSACASA-N 1 2 295.335 1.165 20 10 CDCDLO C[C@@H]([NH2+]CCS(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000756501320 576992365 /nfs/dbraw/zinc/99/23/65/576992365.db2.gz AGSHFRGCMJMIHF-SSDOTTSWSA-N 1 2 279.308 1.366 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cc(F)cc(F)c1O ZINC000756732480 577002317 /nfs/dbraw/zinc/00/23/17/577002317.db2.gz MBVSVVITFWNCRZ-SSDOTTSWSA-N 1 2 295.293 1.843 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891581098 617490646 /nfs/dbraw/zinc/49/06/46/617490646.db2.gz VGNCRXCRAUEQRT-UHFFFAOYSA-N 1 2 283.324 1.404 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891581098 617490650 /nfs/dbraw/zinc/49/06/50/617490650.db2.gz VGNCRXCRAUEQRT-UHFFFAOYSA-N 1 2 283.324 1.404 20 10 CDCDLO C[C@@H]1CN(Cc2cc(F)cc(F)c2O)CC[N@@H+]1CCO ZINC000894503030 618924503 /nfs/dbraw/zinc/92/45/03/618924503.db2.gz FYBWPPNFUBDWFW-SNVBAGLBSA-N 1 2 286.322 1.169 20 10 CDCDLO C[C@@H]1CN(Cc2cc(F)cc(F)c2O)CC[N@H+]1CCO ZINC000894503030 618924504 /nfs/dbraw/zinc/92/45/04/618924504.db2.gz FYBWPPNFUBDWFW-SNVBAGLBSA-N 1 2 286.322 1.169 20 10 CDCDLO O=C(NCc1ccc(O)cc1O)[C@H]1CCc2[nH+]ccn2C1 ZINC000910945021 629125927 /nfs/dbraw/zinc/12/59/27/629125927.db2.gz SLRAELPBLBLHRH-NSHDSACASA-N 1 2 287.319 1.173 20 10 CDCDLO CNc1cc(CNC(=O)NCc2ccc(N)cc2)cc[nH+]1 ZINC001578754352 1171994958 /nfs/dbraw/zinc/99/49/58/1171994958.db2.gz GGZPBFLXTHWZJI-UHFFFAOYSA-N 1 2 285.351 1.705 20 10 CDCDLO CC[C@H](CCO)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590439963 1173410897 /nfs/dbraw/zinc/41/08/97/1173410897.db2.gz VCCGFEISZXWQIZ-NXEZZACHSA-N 1 2 291.355 1.384 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](C)OC ZINC000823576342 728843917 /nfs/dbraw/zinc/84/39/17/728843917.db2.gz NGDNPRMIFHGCIP-GFCCVEGCSA-N 1 2 281.352 1.792 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](C)OC ZINC000823576342 728843918 /nfs/dbraw/zinc/84/39/18/728843918.db2.gz NGDNPRMIFHGCIP-GFCCVEGCSA-N 1 2 281.352 1.792 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840914237 728950248 /nfs/dbraw/zinc/95/02/48/728950248.db2.gz RPLJHFPJJKOWBQ-HNNXBMFYSA-N 1 2 292.379 1.435 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840914237 728950250 /nfs/dbraw/zinc/95/02/50/728950250.db2.gz RPLJHFPJJKOWBQ-HNNXBMFYSA-N 1 2 292.379 1.435 20 10 CDCDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(F)ccc1O ZINC000180150626 728395866 /nfs/dbraw/zinc/39/58/66/728395866.db2.gz HSPLUADRLKFUKW-SECBINFHSA-N 1 2 275.345 1.396 20 10 CDCDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1cc(F)ccc1O ZINC000779218941 728517717 /nfs/dbraw/zinc/51/77/17/728517717.db2.gz WTEQJBWDDQHEHO-CYBMUJFWSA-N 1 2 280.343 1.974 20 10 CDCDLO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)CCN1CCO ZINC000783713756 729162137 /nfs/dbraw/zinc/16/21/37/729162137.db2.gz HVASSIWEQURVLN-UHFFFAOYSA-N 1 2 298.814 1.934 20 10 CDCDLO CC1(C)C[N@@H+](Cc2c(O)cccc2Cl)CCN1CCO ZINC000783713756 729162143 /nfs/dbraw/zinc/16/21/43/729162143.db2.gz HVASSIWEQURVLN-UHFFFAOYSA-N 1 2 298.814 1.934 20 10 CDCDLO CCOc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)c(O)c1 ZINC000780566303 729321728 /nfs/dbraw/zinc/32/17/28/729321728.db2.gz QZOHSKCCEHDEIJ-JTQLQIEISA-N 1 2 276.340 1.770 20 10 CDCDLO O=S1(=O)CC[C@H]([N@H+](Cc2cc(F)ccc2O)C2CC2)C1 ZINC000179935474 729387338 /nfs/dbraw/zinc/38/73/38/729387338.db2.gz VOGIWJFHINJVKO-ZDUSSCGKSA-N 1 2 299.367 1.683 20 10 CDCDLO Oc1c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)ccc(F)c1F ZINC000876619061 729811263 /nfs/dbraw/zinc/81/12/63/729811263.db2.gz NNIJMOSNYQIJQP-GFCCVEGCSA-N 1 2 298.333 1.577 20 10 CDCDLO Oc1c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)ccc(F)c1F ZINC000876619061 729811264 /nfs/dbraw/zinc/81/12/64/729811264.db2.gz NNIJMOSNYQIJQP-GFCCVEGCSA-N 1 2 298.333 1.577 20 10 CDCDLO OCCCN1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000824563823 729893326 /nfs/dbraw/zinc/89/33/26/729893326.db2.gz DGQBRYOFUCAYQP-ZDUSSCGKSA-N 1 2 298.814 1.982 20 10 CDCDLO CCOC(=O)C[N@H+](CCOC1CC1)Cc1ccccc1O ZINC000930765105 729979696 /nfs/dbraw/zinc/97/96/96/729979696.db2.gz YGFUCSPPNNWQFV-UHFFFAOYSA-N 1 2 293.363 1.936 20 10 CDCDLO CCOC(=O)C[N@@H+](CCOC1CC1)Cc1ccccc1O ZINC000930765105 729979697 /nfs/dbraw/zinc/97/96/97/729979697.db2.gz YGFUCSPPNNWQFV-UHFFFAOYSA-N 1 2 293.363 1.936 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccccc1O ZINC000846846787 730058447 /nfs/dbraw/zinc/05/84/47/730058447.db2.gz XKERYLQYNGVYRK-SNVBAGLBSA-N 1 2 275.356 1.985 20 10 CDCDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356642 936526016 /nfs/dbraw/zinc/52/60/16/936526016.db2.gz UHVLBKQXXQOJCW-CYBMUJFWSA-N 1 2 287.407 1.732 20 10 CDCDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356642 936526018 /nfs/dbraw/zinc/52/60/18/936526018.db2.gz UHVLBKQXXQOJCW-CYBMUJFWSA-N 1 2 287.407 1.732 20 10 CDCDLO COC[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140060427 936675708 /nfs/dbraw/zinc/67/57/08/936675708.db2.gz VOGWQMNQBMZCSN-LBPRGKRZSA-N 1 2 255.289 1.379 20 10 CDCDLO COC[C@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC001140060427 936675709 /nfs/dbraw/zinc/67/57/09/936675709.db2.gz VOGWQMNQBMZCSN-LBPRGKRZSA-N 1 2 255.289 1.379 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@H](C)C2)c(OC)c1 ZINC001141031273 936795278 /nfs/dbraw/zinc/79/52/78/936795278.db2.gz AXEJYBNFKFXXJR-SNVBAGLBSA-N 1 2 279.336 1.820 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@H](C)C2)c(OC)c1 ZINC001141031273 936795281 /nfs/dbraw/zinc/79/52/81/936795281.db2.gz AXEJYBNFKFXXJR-SNVBAGLBSA-N 1 2 279.336 1.820 20 10 CDCDLO CCN1C[C@@H](C)[N@H+](Cc2cc(O)ccc2O)CC1=O ZINC001141161955 936823273 /nfs/dbraw/zinc/82/32/73/936823273.db2.gz HZTBQFJVSZKBSD-SNVBAGLBSA-N 1 2 264.325 1.150 20 10 CDCDLO CCN1C[C@@H](C)[N@@H+](Cc2cc(O)ccc2O)CC1=O ZINC001141161955 936823275 /nfs/dbraw/zinc/82/32/75/936823275.db2.gz HZTBQFJVSZKBSD-SNVBAGLBSA-N 1 2 264.325 1.150 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CC(F)(F)C1 ZINC001144504064 931864723 /nfs/dbraw/zinc/86/47/23/931864723.db2.gz KNAPTLCLDIFLMB-MRVPVSSYSA-N 1 2 289.278 1.253 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CC(F)(F)C1 ZINC001144504064 931864728 /nfs/dbraw/zinc/86/47/28/931864728.db2.gz KNAPTLCLDIFLMB-MRVPVSSYSA-N 1 2 289.278 1.253 20 10 CDCDLO C[N@@H+]1CCC2(C[NH+](Cc3ccc(C(=O)[O-])cc3O)C2)C1 ZINC001276009035 932231570 /nfs/dbraw/zinc/23/15/70/932231570.db2.gz FHWASJSDIQZRRQ-UHFFFAOYSA-N 1 2 276.336 1.228 20 10 CDCDLO C[N@H+]1CCC2(C[NH+](Cc3ccc(C(=O)[O-])cc3O)C2)C1 ZINC001276009035 932231575 /nfs/dbraw/zinc/23/15/75/932231575.db2.gz FHWASJSDIQZRRQ-UHFFFAOYSA-N 1 2 276.336 1.228 20 10 CDCDLO COc1ccc(C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1C ZINC001119613506 937739266 /nfs/dbraw/zinc/73/92/66/937739266.db2.gz HLHMCFBHGBDNLT-CYBMUJFWSA-N 1 2 289.335 1.512 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(OC)cc2O)CCO1 ZINC001203627746 939697870 /nfs/dbraw/zinc/69/78/70/939697870.db2.gz MTORTEKHFCKTSC-ZDUSSCGKSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)CCO1 ZINC001203627746 939697872 /nfs/dbraw/zinc/69/78/72/939697872.db2.gz MTORTEKHFCKTSC-ZDUSSCGKSA-N 1 2 295.335 1.165 20 10 CDCDLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203882900 939711440 /nfs/dbraw/zinc/71/14/40/939711440.db2.gz WNAOJMHLXSIMIT-ZDUSSCGKSA-N 1 2 292.379 1.979 20 10 CDCDLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203882900 939711441 /nfs/dbraw/zinc/71/14/41/939711441.db2.gz WNAOJMHLXSIMIT-ZDUSSCGKSA-N 1 2 292.379 1.979 20 10 CDCDLO CC(C)(C)[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](O)CO ZINC001231910991 943051906 /nfs/dbraw/zinc/05/19/06/943051906.db2.gz XVXKVKYDSRGERT-LLVKDONJSA-N 1 2 287.787 1.999 20 10 CDCDLO CC(C)(C)[N@H+](Cc1cccc(Cl)c1O)C[C@@H](O)CO ZINC001231910991 943051915 /nfs/dbraw/zinc/05/19/15/943051915.db2.gz XVXKVKYDSRGERT-LLVKDONJSA-N 1 2 287.787 1.999 20 10 CDCDLO CN(Cc1cc(Cl)c(O)cc1O)[C@H]1CC[N@H+](C)C1 ZINC001232267786 943197335 /nfs/dbraw/zinc/19/73/35/943197335.db2.gz LYWYCPRSVVRJGA-JTQLQIEISA-N 1 2 270.760 1.887 20 10 CDCDLO CN(Cc1cc(Cl)c(O)cc1O)[C@H]1CC[N@@H+](C)C1 ZINC001232267786 943197340 /nfs/dbraw/zinc/19/73/40/943197340.db2.gz LYWYCPRSVVRJGA-JTQLQIEISA-N 1 2 270.760 1.887 20 10 CDCDLO CN1CC[C@H]([N@H+](C)Cc2cc(Cl)c(O)cc2O)C1 ZINC001232267786 943197347 /nfs/dbraw/zinc/19/73/47/943197347.db2.gz LYWYCPRSVVRJGA-JTQLQIEISA-N 1 2 270.760 1.887 20 10 CDCDLO CN1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(O)cc2O)C1 ZINC001232267786 943197349 /nfs/dbraw/zinc/19/73/49/943197349.db2.gz LYWYCPRSVVRJGA-JTQLQIEISA-N 1 2 270.760 1.887 20 10 CDCDLO Oc1ccc(F)c(F)c1C[NH+]1CC2(CC(O)C2)C1 ZINC001233332039 943546950 /nfs/dbraw/zinc/54/69/50/943546950.db2.gz VTNVMLXAYJFVBV-UHFFFAOYSA-N 1 2 255.264 1.627 20 10 CDCDLO OC[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C[C@@H]1O ZINC001237120093 944660830 /nfs/dbraw/zinc/66/08/30/944660830.db2.gz JALCZFBSQPJVDU-PELKAZGASA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C[C@@H]1O ZINC001237120093 944660834 /nfs/dbraw/zinc/66/08/34/944660834.db2.gz JALCZFBSQPJVDU-PELKAZGASA-N 1 2 289.734 1.360 20 10 CDCDLO C[C@]1(O)COCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237123650 944661563 /nfs/dbraw/zinc/66/15/63/944661563.db2.gz JWHVHSYQJFIIQR-CYBMUJFWSA-N 1 2 289.734 1.768 20 10 CDCDLO C[C@]1(O)COCC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237123650 944661565 /nfs/dbraw/zinc/66/15/65/944661565.db2.gz JWHVHSYQJFIIQR-CYBMUJFWSA-N 1 2 289.734 1.768 20 10 CDCDLO CC[N@H+](CC(=O)OC)Cc1cc(OC)cc(OC)c1O ZINC001237686450 944926463 /nfs/dbraw/zinc/92/64/63/944926463.db2.gz ZMVUSZGPTVWMCX-UHFFFAOYSA-N 1 2 283.324 1.404 20 10 CDCDLO CC[N@@H+](CC(=O)OC)Cc1cc(OC)cc(OC)c1O ZINC001237686450 944926470 /nfs/dbraw/zinc/92/64/70/944926470.db2.gz ZMVUSZGPTVWMCX-UHFFFAOYSA-N 1 2 283.324 1.404 20 10 CDCDLO O=C1NCC[C@]12CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237799952 944953858 /nfs/dbraw/zinc/95/38/58/944953858.db2.gz LBGXVCVJBFQBKG-CQSZACIVSA-N 1 2 298.745 1.897 20 10 CDCDLO O=C1NCC[C@]12CC[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237799952 944953859 /nfs/dbraw/zinc/95/38/59/944953859.db2.gz LBGXVCVJBFQBKG-CQSZACIVSA-N 1 2 298.745 1.897 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC001335332473 959722638 /nfs/dbraw/zinc/72/26/38/959722638.db2.gz VHSPQCJRTSBEGS-LLVKDONJSA-N 1 2 259.309 1.775 20 10 CDCDLO C[C@@H](NC(=O)CCc1[nH+]ccn1C)c1ccccc1O ZINC001521807507 970358577 /nfs/dbraw/zinc/35/85/77/970358577.db2.gz ONVDUBYSQWGMCO-LLVKDONJSA-N 1 2 273.336 1.936 20 10 CDCDLO Cc1cc(O)c(CN2CC[NH+](CCO)CC2)cc1C ZINC000298591671 356902631 /nfs/dbraw/zinc/90/26/31/356902631.db2.gz IODINTWDLXAPAM-UHFFFAOYSA-N 1 2 264.369 1.119 20 10 CDCDLO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000124814573 360403252 /nfs/dbraw/zinc/40/32/52/360403252.db2.gz ZXBRXVSLEMAAPC-QMMMGPOBSA-N 1 2 277.773 1.568 20 10 CDCDLO C[C@@]1(C(N)=O)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000235380799 373652104 /nfs/dbraw/zinc/65/21/04/373652104.db2.gz YDUYWGBPYWJSAN-CYBMUJFWSA-N 1 2 268.744 1.743 20 10 CDCDLO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000235380799 373652106 /nfs/dbraw/zinc/65/21/06/373652106.db2.gz YDUYWGBPYWJSAN-CYBMUJFWSA-N 1 2 268.744 1.743 20 10 CDCDLO CC[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCNC1=O ZINC000281722683 285105599 /nfs/dbraw/zinc/10/55/99/285105599.db2.gz IOHRAZKATOSOQT-NSHDSACASA-N 1 2 268.744 1.756 20 10 CDCDLO CC[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCNC1=O ZINC000281722683 285105600 /nfs/dbraw/zinc/10/56/00/285105600.db2.gz IOHRAZKATOSOQT-NSHDSACASA-N 1 2 268.744 1.756 20 10 CDCDLO Oc1cccc(Cl)c1C[NH2+]CCc1nc[nH]n1 ZINC000119082191 390840381 /nfs/dbraw/zinc/84/03/81/390840381.db2.gz BYJJUHAUDNMPCD-UHFFFAOYSA-N 1 2 252.705 1.496 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000179576341 391213068 /nfs/dbraw/zinc/21/30/68/391213068.db2.gz WVQWXDLSQYHHCW-LBPRGKRZSA-N 1 2 265.309 1.156 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000179576341 391213071 /nfs/dbraw/zinc/21/30/71/391213071.db2.gz WVQWXDLSQYHHCW-LBPRGKRZSA-N 1 2 265.309 1.156 20 10 CDCDLO CCCOc1ccc(C[N@H+](C)Cc2nncn2C)c(O)c1 ZINC000290080345 392024168 /nfs/dbraw/zinc/02/41/68/392024168.db2.gz GIZFCIKPNUEQKD-UHFFFAOYSA-N 1 2 290.367 1.942 20 10 CDCDLO CCCOc1ccc(C[N@@H+](C)Cc2nncn2C)c(O)c1 ZINC000290080345 392024179 /nfs/dbraw/zinc/02/41/79/392024179.db2.gz GIZFCIKPNUEQKD-UHFFFAOYSA-N 1 2 290.367 1.942 20 10 CDCDLO COc1c(O)c(C[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278153811 521875802 /nfs/dbraw/zinc/87/58/02/521875802.db2.gz CQCAJARDRRVSPF-NXEZZACHSA-N 1 2 296.323 1.918 20 10 CDCDLO COc1c(O)c(C[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278153811 521875809 /nfs/dbraw/zinc/87/58/09/521875809.db2.gz CQCAJARDRRVSPF-NXEZZACHSA-N 1 2 296.323 1.918 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)CCc1c[nH+]cn1C ZINC000276664473 523379043 /nfs/dbraw/zinc/37/90/43/523379043.db2.gz YNBDWNDZZNHBNR-UHFFFAOYSA-N 1 2 273.336 1.717 20 10 CDCDLO Cc1noc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000729684560 574820899 /nfs/dbraw/zinc/82/08/99/574820899.db2.gz RTASEGFJKSVXEW-SSDOTTSWSA-N 1 2 277.280 1.663 20 10 CDCDLO CCOC(=O)[C@H](C)[NH2+]Cc1ccc(OCC)cc1O ZINC000763269010 576727800 /nfs/dbraw/zinc/72/78/00/576727800.db2.gz KZIBFSWORSOMCP-JTQLQIEISA-N 1 2 267.325 1.832 20 10 CDCDLO COCC[NH+]1CCN(Cc2c(O)cccc2OC)CC1 ZINC000768220979 576265702 /nfs/dbraw/zinc/26/57/02/576265702.db2.gz VQCUYQVAGUXJTI-UHFFFAOYSA-N 1 2 280.368 1.165 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000768448190 576284841 /nfs/dbraw/zinc/28/48/41/576284841.db2.gz BOJMGGKUXDRVLL-CQSZACIVSA-N 1 2 295.335 1.083 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000768448190 576284842 /nfs/dbraw/zinc/28/48/42/576284842.db2.gz BOJMGGKUXDRVLL-CQSZACIVSA-N 1 2 295.335 1.083 20 10 CDCDLO CN1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2O)C1=O ZINC000748242831 576902884 /nfs/dbraw/zinc/90/28/84/576902884.db2.gz SBJNPWFOYHVADP-NSHDSACASA-N 1 2 279.296 1.011 20 10 CDCDLO C[N@H+](CC[NH3+])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841099989 618682214 /nfs/dbraw/zinc/68/22/14/618682214.db2.gz REGCDPUBTYKCNA-UHFFFAOYSA-N 1 2 259.693 1.344 20 10 CDCDLO C[N@@H+](CC[NH3+])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841099989 618682215 /nfs/dbraw/zinc/68/22/15/618682215.db2.gz REGCDPUBTYKCNA-UHFFFAOYSA-N 1 2 259.693 1.344 20 10 CDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907275549 627579352 /nfs/dbraw/zinc/57/93/52/627579352.db2.gz VWBSOVFORIUXNN-SECBINFHSA-N 1 2 275.308 1.111 20 10 CDCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(N)cc1 ZINC000911782456 629499505 /nfs/dbraw/zinc/49/95/05/629499505.db2.gz JMVHEHXELGLTBU-NSHDSACASA-N 1 2 272.352 1.529 20 10 CDCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(N)cc1 ZINC000911782456 629499507 /nfs/dbraw/zinc/49/95/07/629499507.db2.gz JMVHEHXELGLTBU-NSHDSACASA-N 1 2 272.352 1.529 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000862755235 731100144 /nfs/dbraw/zinc/10/01/44/731100144.db2.gz FDCACTBATPEQIF-UHFFFAOYSA-N 1 2 259.309 1.673 20 10 CDCDLO CCOc1ccc(O)c(C[NH+]2CC(N3CC[C@@H](O)C3)C2)c1 ZINC000843421212 731574683 /nfs/dbraw/zinc/57/46/83/731574683.db2.gz DSSTZSUQVLEFMH-CQSZACIVSA-N 1 2 292.379 1.042 20 10 CDCDLO Cn1cc(C[NH2+]Cc2cc(Cl)c(F)cc2O)nn1 ZINC000816567410 731808643 /nfs/dbraw/zinc/80/86/43/731808643.db2.gz ZTQOYLGYBUYAFH-UHFFFAOYSA-N 1 2 270.695 1.603 20 10 CDCDLO O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779213171 732352187 /nfs/dbraw/zinc/35/21/87/732352187.db2.gz DGDBAYWNGGVBHN-QQHVMHFCSA-N 1 2 299.330 1.439 20 10 CDCDLO COc1c(O)c(CNC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000841028654 732353730 /nfs/dbraw/zinc/35/37/30/732353730.db2.gz BWUHCEOMUFWHDC-SNVBAGLBSA-N 1 2 283.328 1.382 20 10 CDCDLO Cc1ccc(O)c(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c1 ZINC000848563429 732553574 /nfs/dbraw/zinc/55/35/74/732553574.db2.gz VDXIRUJNJXULRI-ZDUSSCGKSA-N 1 2 288.351 1.960 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000878970531 732741162 /nfs/dbraw/zinc/74/11/62/732741162.db2.gz SVVDVXGZOMSMGC-HNNXBMFYSA-N 1 2 264.369 1.866 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000878970531 732741168 /nfs/dbraw/zinc/74/11/68/732741168.db2.gz SVVDVXGZOMSMGC-HNNXBMFYSA-N 1 2 264.369 1.866 20 10 CDCDLO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000840957125 732872871 /nfs/dbraw/zinc/87/28/71/732872871.db2.gz FKWSOHPZPIEZPF-LLVKDONJSA-N 1 2 282.771 1.956 20 10 CDCDLO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000840957125 732872869 /nfs/dbraw/zinc/87/28/69/732872869.db2.gz FKWSOHPZPIEZPF-LLVKDONJSA-N 1 2 282.771 1.956 20 10 CDCDLO CC(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000708432498 732872965 /nfs/dbraw/zinc/87/29/65/732872965.db2.gz CQMLITROUOSVQL-UHFFFAOYSA-N 1 2 284.306 1.725 20 10 CDCDLO CC(=O)N1CCC[N@@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000708432498 732872967 /nfs/dbraw/zinc/87/29/67/732872967.db2.gz CQMLITROUOSVQL-UHFFFAOYSA-N 1 2 284.306 1.725 20 10 CDCDLO Oc1cc(C[NH+]2CC3(C2)CCOC3)cc(O)c1O ZINC001233010542 912671289 /nfs/dbraw/zinc/67/12/89/912671289.db2.gz QFEXUVKBXQNZRI-UHFFFAOYSA-N 1 2 251.282 1.026 20 10 CDCDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142520597 908847296 /nfs/dbraw/zinc/84/72/96/908847296.db2.gz MAMYCVWIQZMNNY-LLVKDONJSA-N 1 2 284.306 1.771 20 10 CDCDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142520597 908847312 /nfs/dbraw/zinc/84/73/12/908847312.db2.gz MAMYCVWIQZMNNY-LLVKDONJSA-N 1 2 284.306 1.771 20 10 CDCDLO Oc1cccc(F)c1C[NH+]1CC(N2CC(F)C2)C1 ZINC001137831897 936417177 /nfs/dbraw/zinc/41/71/77/936417177.db2.gz RJPMQVDOUSOMRE-UHFFFAOYSA-N 1 2 254.280 1.369 20 10 CDCDLO CCC(=O)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138122680 936474090 /nfs/dbraw/zinc/47/40/90/936474090.db2.gz UPSUFSGANVWBDT-UHFFFAOYSA-N 1 2 266.316 1.586 20 10 CDCDLO OCC1(O)CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000827146054 936494298 /nfs/dbraw/zinc/49/42/98/936494298.db2.gz BQFPTLNCXUJGSR-UHFFFAOYSA-N 1 2 289.734 1.504 20 10 CDCDLO COCC1C[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139127599 936600150 /nfs/dbraw/zinc/60/01/50/936600150.db2.gz YRWSKCUODXDSDZ-UHFFFAOYSA-N 1 2 289.331 1.885 20 10 CDCDLO Oc1c(F)ccc(F)c1CN1CC([NH+]2CCCC2)C1 ZINC001139683604 936635188 /nfs/dbraw/zinc/63/51/88/936635188.db2.gz OCHMPMOJBQTKOQ-UHFFFAOYSA-N 1 2 268.307 1.950 20 10 CDCDLO COc1cc(O)c(C[NH+]2CCN(C(C)=O)CC2)c(OC)c1 ZINC001141026459 936794489 /nfs/dbraw/zinc/79/44/89/936794489.db2.gz RFRZRSXAAWFOLF-UHFFFAOYSA-N 1 2 294.351 1.074 20 10 CDCDLO C[C@@H]1C[NH+](C2CN(Cc3ccc(O)c(O)c3)C2)C[C@@H](C)O1 ZINC001203884151 925223020 /nfs/dbraw/zinc/22/30/20/925223020.db2.gz SXNSAOSMAJDWRJ-VXGBXAGGSA-N 1 2 292.379 1.391 20 10 CDCDLO CCN(C)c1ccc(C[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000852552902 927813692 /nfs/dbraw/zinc/81/36/92/927813692.db2.gz IOOPUGJYGDYUAB-UHFFFAOYSA-N 1 2 273.384 1.903 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000852552902 927813702 /nfs/dbraw/zinc/81/37/02/927813702.db2.gz IOOPUGJYGDYUAB-UHFFFAOYSA-N 1 2 273.384 1.903 20 10 CDCDLO O=C(NCc1cccc(O)c1O)c1cccc2[nH+]ccn21 ZINC001153798404 937471277 /nfs/dbraw/zinc/47/12/77/937471277.db2.gz RFPWAOZWBUHFEM-UHFFFAOYSA-N 1 2 283.287 1.676 20 10 CDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1c[nH+]cn1C ZINC001154027613 937493885 /nfs/dbraw/zinc/49/38/85/937493885.db2.gz XEFJHGANOXXJAA-SNVBAGLBSA-N 1 2 289.335 1.121 20 10 CDCDLO COc1cccc([C@H](C)[NH2+]Cc2ncn(C)n2)c1O ZINC000846160760 931982866 /nfs/dbraw/zinc/98/28/66/931982866.db2.gz YPCQTPVRWVBRRJ-VIFPVBQESA-N 1 2 262.313 1.380 20 10 CDCDLO COc1cccc(C[NH+]2CC(N(C)[C@H]3CCOC3)C2)c1O ZINC001203596588 939695235 /nfs/dbraw/zinc/69/52/35/939695235.db2.gz KKETXMVQEKROOG-ZDUSSCGKSA-N 1 2 292.379 1.306 20 10 CDCDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204320912 939755188 /nfs/dbraw/zinc/75/51/88/939755188.db2.gz DGLGVUKLANNQEP-CQSZACIVSA-N 1 2 287.407 1.949 20 10 CDCDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204320912 939755192 /nfs/dbraw/zinc/75/51/92/939755192.db2.gz DGLGVUKLANNQEP-CQSZACIVSA-N 1 2 287.407 1.949 20 10 CDCDLO COc1cc(C[N@H+](C)Cc2ccno2)cc(O)c1O ZINC001204348221 939758929 /nfs/dbraw/zinc/75/89/29/939758929.db2.gz ABEFWLRKOUOSBJ-UHFFFAOYSA-N 1 2 264.281 1.726 20 10 CDCDLO COc1cc(C[N@@H+](C)Cc2ccno2)cc(O)c1O ZINC001204348221 939758931 /nfs/dbraw/zinc/75/89/31/939758931.db2.gz ABEFWLRKOUOSBJ-UHFFFAOYSA-N 1 2 264.281 1.726 20 10 CDCDLO [NH3+][C@@H]1C[C@@H](F)CN(Cc2c(F)ccc(F)c2O)C1 ZINC001206422086 940035956 /nfs/dbraw/zinc/03/59/56/940035956.db2.gz BAGDFYFMQMBMFH-HTQZYQBOSA-N 1 2 260.259 1.542 20 10 CDCDLO COc1cc(C[NH+]2CC(OC(C)C)C2)c(O)cc1O ZINC001231636899 942952348 /nfs/dbraw/zinc/95/23/48/942952348.db2.gz ACBATCBESFANLH-UHFFFAOYSA-N 1 2 267.325 1.716 20 10 CDCDLO COC(=O)C1(O)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231914264 943055170 /nfs/dbraw/zinc/05/51/70/943055170.db2.gz JUXYXXLUUKPLHS-UHFFFAOYSA-N 1 2 299.754 1.546 20 10 CDCDLO [NH3+][C@]12CC[C@H]1CN(Cc1ccc(F)c(F)c1O)C2 ZINC001235991618 944358112 /nfs/dbraw/zinc/35/81/12/944358112.db2.gz ONRLJXFDROAQBE-ZANVPECISA-N 1 2 254.280 1.594 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@H](C)C2)cc1OC ZINC001236750219 944556376 /nfs/dbraw/zinc/55/63/76/944556376.db2.gz JRTVHZCOSOVMEB-SNVBAGLBSA-N 1 2 279.336 1.820 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@H](C)C2)cc1OC ZINC001236750219 944556380 /nfs/dbraw/zinc/55/63/80/944556380.db2.gz JRTVHZCOSOVMEB-SNVBAGLBSA-N 1 2 279.336 1.820 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCNC(=O)CC2)c(Cl)c1 ZINC001236802762 944572870 /nfs/dbraw/zinc/57/28/70/944572870.db2.gz JPUSXEPVEHSISF-UHFFFAOYSA-N 1 2 284.743 1.376 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCNC(=O)CC2)c(Cl)c1 ZINC001236802762 944572874 /nfs/dbraw/zinc/57/28/74/944572874.db2.gz JPUSXEPVEHSISF-UHFFFAOYSA-N 1 2 284.743 1.376 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000079443299 342344592 /nfs/dbraw/zinc/34/45/92/342344592.db2.gz QSLFRBBKLKZMSX-ZDUSSCGKSA-N 1 2 294.326 1.396 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000079443299 342344593 /nfs/dbraw/zinc/34/45/93/342344593.db2.gz QSLFRBBKLKZMSX-ZDUSSCGKSA-N 1 2 294.326 1.396 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](CC(N)=O)C(C)C)c1O ZINC000050147098 359582187 /nfs/dbraw/zinc/58/21/87/359582187.db2.gz YDTUBMUHFWGWOH-UHFFFAOYSA-N 1 2 298.770 1.944 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](CC(N)=O)C(C)C)c1O ZINC000050147098 359582191 /nfs/dbraw/zinc/58/21/91/359582191.db2.gz YDTUBMUHFWGWOH-UHFFFAOYSA-N 1 2 298.770 1.944 20 10 CDCDLO O=C1N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]2CO1 ZINC000281342301 367624045 /nfs/dbraw/zinc/62/40/45/367624045.db2.gz SSTDSBFPNJJEMC-PWSUYJOCSA-N 1 2 296.754 1.976 20 10 CDCDLO O=C1N[C@H]2CC[N@H+](Cc3cccc(Cl)c3O)C[C@@H]2CO1 ZINC000281342301 367624048 /nfs/dbraw/zinc/62/40/48/367624048.db2.gz SSTDSBFPNJJEMC-PWSUYJOCSA-N 1 2 296.754 1.976 20 10 CDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000249247604 377417103 /nfs/dbraw/zinc/41/71/03/377417103.db2.gz BGTGUNVUAKPHLT-GJZGRUSLSA-N 1 2 292.379 1.251 20 10 CDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000249247604 377417112 /nfs/dbraw/zinc/41/71/12/377417112.db2.gz BGTGUNVUAKPHLT-GJZGRUSLSA-N 1 2 292.379 1.251 20 10 CDCDLO Cc1ccc(O)c(C[N@@H+]2CCn3cnnc3[C@H]2C)c1 ZINC000276827091 263038344 /nfs/dbraw/zinc/03/83/44/263038344.db2.gz QLRMMRCILGAXSH-LLVKDONJSA-N 1 2 258.325 1.869 20 10 CDCDLO Cc1ccc(O)c(C[N@H+]2CCn3cnnc3[C@H]2C)c1 ZINC000276827091 263038345 /nfs/dbraw/zinc/03/83/45/263038345.db2.gz QLRMMRCILGAXSH-LLVKDONJSA-N 1 2 258.325 1.869 20 10 CDCDLO CO[C@@H](C)CC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591322422 1173606951 /nfs/dbraw/zinc/60/69/51/1173606951.db2.gz QNUGKYYCWOSAJH-UWVGGRQHSA-N 1 2 291.355 1.648 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000180166144 329218143 /nfs/dbraw/zinc/21/81/43/329218143.db2.gz PFELBPUTWRXUER-LBPRGKRZSA-N 1 2 283.299 1.295 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000180166144 329218144 /nfs/dbraw/zinc/21/81/44/329218144.db2.gz PFELBPUTWRXUER-LBPRGKRZSA-N 1 2 283.299 1.295 20 10 CDCDLO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[S@@](=O)C1 ZINC000277564704 524616085 /nfs/dbraw/zinc/61/60/85/524616085.db2.gz SDCZFIWAYYYFSV-WVDJIFEKSA-N 1 2 297.376 1.321 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[S@@](=O)C1 ZINC000277564704 524616093 /nfs/dbraw/zinc/61/60/93/524616093.db2.gz SDCZFIWAYYYFSV-WVDJIFEKSA-N 1 2 297.376 1.321 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000773888838 575843140 /nfs/dbraw/zinc/84/31/40/575843140.db2.gz QBGQLONLKGHUCP-CYBMUJFWSA-N 1 2 275.396 1.805 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000773888838 575843141 /nfs/dbraw/zinc/84/31/41/575843141.db2.gz QBGQLONLKGHUCP-CYBMUJFWSA-N 1 2 275.396 1.805 20 10 CDCDLO CN(C)c1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000746305210 576770019 /nfs/dbraw/zinc/77/00/19/576770019.db2.gz CUJQAPQLOOHCIP-CQSZACIVSA-N 1 2 298.390 1.828 20 10 CDCDLO CCN(CC)C(=O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756458713 576990961 /nfs/dbraw/zinc/99/09/61/576990961.db2.gz UKJZXJBVHGGWCK-SNVBAGLBSA-N 1 2 295.339 1.819 20 10 CDCDLO COc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c(O)c1OC ZINC000893884949 618138090 /nfs/dbraw/zinc/13/80/90/618138090.db2.gz ILQBSJCFKFDIPL-SNVBAGLBSA-N 1 2 294.351 1.072 20 10 CDCDLO COc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c(O)c1OC ZINC000893884949 618138099 /nfs/dbraw/zinc/13/80/99/618138099.db2.gz ILQBSJCFKFDIPL-SNVBAGLBSA-N 1 2 294.351 1.072 20 10 CDCDLO OC[C@@H]1CSCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000895470591 619683036 /nfs/dbraw/zinc/68/30/36/619683036.db2.gz LXMSWIRSDFKLNS-SNVBAGLBSA-N 1 2 275.320 1.580 20 10 CDCDLO OC[C@@H]1CSCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000895470591 619683042 /nfs/dbraw/zinc/68/30/42/619683042.db2.gz LXMSWIRSDFKLNS-SNVBAGLBSA-N 1 2 275.320 1.580 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](OC)C2)c1 ZINC000895968801 619927249 /nfs/dbraw/zinc/92/72/49/619927249.db2.gz GTOMVFMUJDTFKV-AWEZNQCLSA-N 1 2 267.325 1.596 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](OC)C2)c1 ZINC000895968801 619927253 /nfs/dbraw/zinc/92/72/53/619927253.db2.gz GTOMVFMUJDTFKV-AWEZNQCLSA-N 1 2 267.325 1.596 20 10 CDCDLO COc1cccc(C[N@@H+]2CCO[C@H](OC)C2)c1O ZINC000895971024 619929171 /nfs/dbraw/zinc/92/91/71/619929171.db2.gz WGNSMCPJVZYHTK-LBPRGKRZSA-N 1 2 253.298 1.206 20 10 CDCDLO COc1cccc(C[N@H+]2CCO[C@H](OC)C2)c1O ZINC000895971024 619929173 /nfs/dbraw/zinc/92/91/73/619929173.db2.gz WGNSMCPJVZYHTK-LBPRGKRZSA-N 1 2 253.298 1.206 20 10 CDCDLO COc1ccc(N(C)CC[N@H+](C)CN2CCOC2=O)cc1 ZINC000902302106 624653181 /nfs/dbraw/zinc/65/31/81/624653181.db2.gz LLSJZOWSCFIJOB-UHFFFAOYSA-N 1 2 293.367 1.473 20 10 CDCDLO COc1ccc(N(C)CC[N@@H+](C)CN2CCOC2=O)cc1 ZINC000902302106 624653188 /nfs/dbraw/zinc/65/31/88/624653188.db2.gz LLSJZOWSCFIJOB-UHFFFAOYSA-N 1 2 293.367 1.473 20 10 CDCDLO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001589978574 1173222057 /nfs/dbraw/zinc/22/20/57/1173222057.db2.gz OWWOJUCPTVUBNP-GUBZILKMSA-N 1 2 273.340 1.879 20 10 CDCDLO CO[C@@H](C)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591467721 1173656937 /nfs/dbraw/zinc/65/69/37/1173656937.db2.gz VVPOUVHJXLLDCS-DTWKUNHWSA-N 1 2 277.328 1.258 20 10 CDCDLO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2nnn(C)n2)c1O ZINC000808716916 733342979 /nfs/dbraw/zinc/34/29/79/733342979.db2.gz ZILNKMUODUCTKF-MRVPVSSYSA-N 1 2 281.747 1.728 20 10 CDCDLO NC(=O)C1([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000792175720 733594039 /nfs/dbraw/zinc/59/40/39/733594039.db2.gz ZRWDCGFYEHGVEL-UHFFFAOYSA-N 1 2 258.680 1.292 20 10 CDCDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1O ZINC000830526589 734178825 /nfs/dbraw/zinc/17/88/25/734178825.db2.gz OOQOXFLGIWVKLR-VXGBXAGGSA-N 1 2 271.320 1.546 20 10 CDCDLO CCN1CC[N@H+](Cc2cc(F)ccc2O)C(C)(C)C1=O ZINC000190029816 734331600 /nfs/dbraw/zinc/33/16/00/734331600.db2.gz HIBUZECILKBQBS-UHFFFAOYSA-N 1 2 280.343 1.974 20 10 CDCDLO CCN1CC[N@@H+](Cc2cc(F)ccc2O)C(C)(C)C1=O ZINC000190029816 734331602 /nfs/dbraw/zinc/33/16/02/734331602.db2.gz HIBUZECILKBQBS-UHFFFAOYSA-N 1 2 280.343 1.974 20 10 CDCDLO CC[NH2+]CC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841038120 734626044 /nfs/dbraw/zinc/62/60/44/734626044.db2.gz WOGWLTBYUOUORN-UHFFFAOYSA-N 1 2 273.720 1.653 20 10 CDCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1O ZINC000847590050 734776919 /nfs/dbraw/zinc/77/69/19/734776919.db2.gz SVYUXZVVWNWUQA-SNVBAGLBSA-N 1 2 259.309 1.610 20 10 CDCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1O ZINC000847590050 734776928 /nfs/dbraw/zinc/77/69/28/734776928.db2.gz SVYUXZVVWNWUQA-SNVBAGLBSA-N 1 2 259.309 1.610 20 10 CDCDLO C[N@H+](CCOCCO)Cc1cc(Cl)cc(F)c1O ZINC000800545271 734896143 /nfs/dbraw/zinc/89/61/43/734896143.db2.gz LLWARJUSPONREC-UHFFFAOYSA-N 1 2 277.723 1.625 20 10 CDCDLO C[N@@H+](CCOCCO)Cc1cc(Cl)cc(F)c1O ZINC000800545271 734896144 /nfs/dbraw/zinc/89/61/44/734896144.db2.gz LLWARJUSPONREC-UHFFFAOYSA-N 1 2 277.723 1.625 20 10 CDCDLO C[C@@H](CC(=O)NCCc1ccc(N)cc1)n1cc[nH+]c1 ZINC000846666778 734917591 /nfs/dbraw/zinc/91/75/91/734917591.db2.gz WKYAQNXIIGLGGE-LBPRGKRZSA-N 1 2 272.352 1.775 20 10 CDCDLO O=C(c1cccc(O)c1O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000790643267 735001831 /nfs/dbraw/zinc/00/18/31/735001831.db2.gz LDXGHKUXVZTLEE-NSHDSACASA-N 1 2 287.319 1.772 20 10 CDCDLO O=C(NCc1ccccc1O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777667839 735174145 /nfs/dbraw/zinc/17/41/45/735174145.db2.gz KQPPPHDDXLBEPN-GFCCVEGCSA-N 1 2 286.335 1.403 20 10 CDCDLO COC[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000793324144 736015065 /nfs/dbraw/zinc/01/50/65/736015065.db2.gz IHPVJRCNKDIXQO-VIFPVBQESA-N 1 2 263.696 1.282 20 10 CDCDLO Cc1c[nH]c(CCNC(=O)C=Cc2ccc(O)c(O)c2)[nH+]1 ZINC001179689302 915926314 /nfs/dbraw/zinc/92/63/14/915926314.db2.gz KDFQSDRKAGMUTR-HWKANZROSA-N 1 2 287.319 1.501 20 10 CDCDLO O=C1C[N@@H+](Cc2cc(F)ccc2O)CC2(CCCC2)N1 ZINC001140056344 936674372 /nfs/dbraw/zinc/67/43/72/936674372.db2.gz RTGUAZGSQIRVPD-UHFFFAOYSA-N 1 2 278.327 1.776 20 10 CDCDLO O=C1C[N@H+](Cc2cc(F)ccc2O)CC2(CCCC2)N1 ZINC001140056344 936674374 /nfs/dbraw/zinc/67/43/74/936674374.db2.gz RTGUAZGSQIRVPD-UHFFFAOYSA-N 1 2 278.327 1.776 20 10 CDCDLO CNC(=O)C1C[NH+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000839145330 936906929 /nfs/dbraw/zinc/90/69/29/936906929.db2.gz ZAQNGEQLUQWBJJ-UHFFFAOYSA-N 1 2 272.707 1.363 20 10 CDCDLO CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000882491768 930019526 /nfs/dbraw/zinc/01/95/26/930019526.db2.gz LIIFRTYDBGIVRF-QMMMGPOBSA-N 1 2 268.288 1.061 20 10 CDCDLO CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000882491768 930019534 /nfs/dbraw/zinc/01/95/34/930019534.db2.gz LIIFRTYDBGIVRF-QMMMGPOBSA-N 1 2 268.288 1.061 20 10 CDCDLO CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(F)c(F)c2O)C1=O ZINC001274030672 931131177 /nfs/dbraw/zinc/13/11/77/931131177.db2.gz UJCJCVNSYYLVAD-OAHLLOKOSA-N 1 2 296.317 1.867 20 10 CDCDLO CN1CC[C@]2(CCC[N@H+]2Cc2ccc(F)c(F)c2O)C1=O ZINC001274030672 931131180 /nfs/dbraw/zinc/13/11/80/931131180.db2.gz UJCJCVNSYYLVAD-OAHLLOKOSA-N 1 2 296.317 1.867 20 10 CDCDLO O=C(NCc1cccc(O)c1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001123978213 936259962 /nfs/dbraw/zinc/25/99/62/936259962.db2.gz RKWHOKAVKLEZLQ-NSHDSACASA-N 1 2 287.319 1.173 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206673908 938769240 /nfs/dbraw/zinc/76/92/40/938769240.db2.gz AEZNEOROYBCPTO-AWEZNQCLSA-N 1 2 299.365 1.930 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206673908 938769241 /nfs/dbraw/zinc/76/92/41/938769241.db2.gz AEZNEOROYBCPTO-AWEZNQCLSA-N 1 2 299.365 1.930 20 10 CDCDLO Cn1c[nH+]c2c1CCN(Cc1ccc(O)c(O)c1)C2 ZINC001203880385 939710974 /nfs/dbraw/zinc/71/09/74/939710974.db2.gz QBNJTXNEXWOYSE-UHFFFAOYSA-N 1 2 259.309 1.390 20 10 CDCDLO C[N@H+]1C[C@H]2CN(Cc3cc(Cl)c(O)cc3O)C[C@@H](C1)O2 ZINC001276616625 940437619 /nfs/dbraw/zinc/43/76/19/940437619.db2.gz GOJUFUILDJQHAY-PHIMTYICSA-N 1 2 298.770 1.266 20 10 CDCDLO C[N@@H+]1C[C@H]2CN(Cc3cc(Cl)c(O)cc3O)C[C@@H](C1)O2 ZINC001276616625 940437620 /nfs/dbraw/zinc/43/76/20/940437620.db2.gz GOJUFUILDJQHAY-PHIMTYICSA-N 1 2 298.770 1.266 20 10 CDCDLO COc1cc(CN2CCn3c[nH+]cc3C2)c(O)cc1O ZINC001231637382 942953252 /nfs/dbraw/zinc/95/32/52/942953252.db2.gz LOMGFOJOEWSGBJ-UHFFFAOYSA-N 1 2 275.308 1.319 20 10 CDCDLO [NH3+][C@]12CC[C@@H]1CN(Cc1c(F)ccc(F)c1O)C2 ZINC001235992105 944358136 /nfs/dbraw/zinc/35/81/36/944358136.db2.gz LZQLWZYTPQWQJK-OQPBUACISA-N 1 2 254.280 1.594 20 10 CDCDLO CC(C)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC001237048931 944646758 /nfs/dbraw/zinc/64/67/58/944646758.db2.gz JYCJWZGPJGUDBA-STQMWFEESA-N 1 2 280.343 1.913 20 10 CDCDLO CC(C)c1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC001237048931 944646761 /nfs/dbraw/zinc/64/67/61/944646761.db2.gz JYCJWZGPJGUDBA-STQMWFEESA-N 1 2 280.343 1.913 20 10 CDCDLO OC[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237814030 944962942 /nfs/dbraw/zinc/96/29/42/944962942.db2.gz OOPQCOBRAINTQT-MRVPVSSYSA-N 1 2 259.708 1.999 20 10 CDCDLO OC[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237814030 944962935 /nfs/dbraw/zinc/96/29/35/944962935.db2.gz OOPQCOBRAINTQT-MRVPVSSYSA-N 1 2 259.708 1.999 20 10 CDCDLO OC[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C[C@H]1O ZINC001237933594 945006339 /nfs/dbraw/zinc/00/63/39/945006339.db2.gz DORMZNVDLNOWNF-AMIZOPFISA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C[C@H]1O ZINC001237933594 945006351 /nfs/dbraw/zinc/00/63/51/945006351.db2.gz DORMZNVDLNOWNF-AMIZOPFISA-N 1 2 289.734 1.360 20 10 CDCDLO Cc1cc(F)cc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c1O ZINC001238071306 945050854 /nfs/dbraw/zinc/05/08/54/945050854.db2.gz VCVBQOXNHKDHHO-JTQLQIEISA-N 1 2 266.316 1.502 20 10 CDCDLO Cc1cc(F)cc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c1O ZINC001238071306 945050862 /nfs/dbraw/zinc/05/08/62/945050862.db2.gz VCVBQOXNHKDHHO-JTQLQIEISA-N 1 2 266.316 1.502 20 10 CDCDLO Cn1c2cc(-c3ccc[nH+]c3N)ccc2ncc1=O ZINC001243474039 947125961 /nfs/dbraw/zinc/12/59/61/947125961.db2.gz IFTLTCFPSLTCDX-UHFFFAOYSA-N 1 2 252.277 1.578 20 10 CDCDLO C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001598665805 994674454 /nfs/dbraw/zinc/67/44/54/994674454.db2.gz CFABVDUILUUYDH-BDAKNGLRSA-N 1 2 252.314 1.349 20 10 CDCDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000025836544 342341131 /nfs/dbraw/zinc/34/11/31/342341131.db2.gz FFUVZSYMXOJHDC-CYBMUJFWSA-N 1 2 291.395 1.090 20 10 CDCDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000025836544 342341132 /nfs/dbraw/zinc/34/11/32/342341132.db2.gz FFUVZSYMXOJHDC-CYBMUJFWSA-N 1 2 291.395 1.090 20 10 CDCDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cc(F)ccc1O ZINC000180070407 357240818 /nfs/dbraw/zinc/24/08/18/357240818.db2.gz JUBUDINVEZWAEM-CYBMUJFWSA-N 1 2 266.316 1.488 20 10 CDCDLO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000195016126 358405128 /nfs/dbraw/zinc/40/51/28/358405128.db2.gz FEWRSQHUEKSVGQ-AWEZNQCLSA-N 1 2 267.300 1.523 20 10 CDCDLO Oc1ccc(F)cc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000195016126 358405132 /nfs/dbraw/zinc/40/51/32/358405132.db2.gz FEWRSQHUEKSVGQ-AWEZNQCLSA-N 1 2 267.300 1.523 20 10 CDCDLO COC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000093528635 360299414 /nfs/dbraw/zinc/29/94/14/360299414.db2.gz SHTVEFLQYSCSNI-LBPRGKRZSA-N 1 2 271.744 1.893 20 10 CDCDLO COC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000093528635 360299416 /nfs/dbraw/zinc/29/94/16/360299416.db2.gz SHTVEFLQYSCSNI-LBPRGKRZSA-N 1 2 271.744 1.893 20 10 CDCDLO COc1cccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1O ZINC000271189257 364968018 /nfs/dbraw/zinc/96/80/18/364968018.db2.gz KWRVMLMRPMGUBG-ADWYPQAOSA-N 1 2 283.393 1.742 20 10 CDCDLO COc1cccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1O ZINC000271189257 364968023 /nfs/dbraw/zinc/96/80/23/364968023.db2.gz KWRVMLMRPMGUBG-ADWYPQAOSA-N 1 2 283.393 1.742 20 10 CDCDLO Cc1cc(C[N@@H+]2CCN(C)C(=O)C2)ccc1N(C)C ZINC000293085248 370509847 /nfs/dbraw/zinc/50/98/47/370509847.db2.gz MSZLPFIACOFHSU-UHFFFAOYSA-N 1 2 261.369 1.335 20 10 CDCDLO Cc1cc(C[N@H+]2CCN(C)C(=O)C2)ccc1N(C)C ZINC000293085248 370509851 /nfs/dbraw/zinc/50/98/51/370509851.db2.gz MSZLPFIACOFHSU-UHFFFAOYSA-N 1 2 261.369 1.335 20 10 CDCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)NCCF ZINC000281919979 391426540 /nfs/dbraw/zinc/42/65/40/391426540.db2.gz ACSMAOFCPOQNHY-QMMMGPOBSA-N 1 2 274.723 1.609 20 10 CDCDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1cc(F)ccc1O ZINC000186214777 262084650 /nfs/dbraw/zinc/08/46/50/262084650.db2.gz UPPHWWADGWCSTJ-QMMMGPOBSA-N 1 2 250.277 1.511 20 10 CDCDLO Cc1noc(C(C)(C)[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000283812754 263084376 /nfs/dbraw/zinc/08/43/76/263084376.db2.gz BTEJYCAOIYDUHR-UHFFFAOYSA-N 1 2 291.307 1.837 20 10 CDCDLO CN1CCCc2cc(CNC(=O)CCn3cc[nH+]c3)ccc21 ZINC000299563734 263247681 /nfs/dbraw/zinc/24/76/81/263247681.db2.gz AONSESZERKXPLK-UHFFFAOYSA-N 1 2 298.390 1.972 20 10 CDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000292958112 523765761 /nfs/dbraw/zinc/76/57/61/523765761.db2.gz CLEBYDKBQIHSJW-HIFRSBDPSA-N 1 2 292.379 1.169 20 10 CDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000292958112 523765767 /nfs/dbraw/zinc/76/57/67/523765767.db2.gz CLEBYDKBQIHSJW-HIFRSBDPSA-N 1 2 292.379 1.169 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3nnc(C)o3)CC2)cc1 ZINC000062639409 524428450 /nfs/dbraw/zinc/42/84/50/524428450.db2.gz OFPCIFAQQVVRED-UHFFFAOYSA-N 1 2 288.351 1.709 20 10 CDCDLO C[C@@H](CNC(=O)Cc1ccc(N)cc1)Cn1cc[nH+]c1 ZINC000237557334 524658314 /nfs/dbraw/zinc/65/83/14/524658314.db2.gz TXIHJTAWPUQHGO-LBPRGKRZSA-N 1 2 272.352 1.460 20 10 CDCDLO CCN1C(=O)/C(=C/c2c[nH+]cn2C)SC1=S ZINC000901415584 624228117 /nfs/dbraw/zinc/22/81/17/624228117.db2.gz LDOOQHOOTCSRJH-YWEYNIOJSA-N 1 2 253.352 1.641 20 10 CDCDLO C[C@@H](CC(=O)NCc1ccc(O)cc1O)n1cc[nH+]c1 ZINC000910943874 629125162 /nfs/dbraw/zinc/12/51/62/629125162.db2.gz PNPPTZYXGKDIPA-JTQLQIEISA-N 1 2 275.308 1.562 20 10 CDCDLO COCCCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001605088793 1163449049 /nfs/dbraw/zinc/44/90/49/1163449049.db2.gz XZTMEXJTVXGCNQ-JTQLQIEISA-N 1 2 291.355 1.650 20 10 CDCDLO Oc1cccc(Cl)c1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000827120248 736787288 /nfs/dbraw/zinc/78/72/88/736787288.db2.gz QQWAQNJKKWSDIJ-LBPRGKRZSA-N 1 2 296.798 1.952 20 10 CDCDLO Oc1cccc(Cl)c1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000827120248 736787291 /nfs/dbraw/zinc/78/72/91/736787291.db2.gz QQWAQNJKKWSDIJ-LBPRGKRZSA-N 1 2 296.798 1.952 20 10 CDCDLO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1O ZINC000846166209 738477718 /nfs/dbraw/zinc/47/77/18/738477718.db2.gz UIVJFVLBOBLSPN-UWVGGRQHSA-N 1 2 276.340 1.941 20 10 CDCDLO C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCC(=O)N1 ZINC000835060879 738876312 /nfs/dbraw/zinc/87/63/12/738876312.db2.gz ORBOZZYXAVXJEQ-CYBMUJFWSA-N 1 2 286.734 1.943 20 10 CDCDLO COC(=O)c1cnc(SCc2c[nH+]cn2C)s1 ZINC000829681228 739101315 /nfs/dbraw/zinc/10/13/15/739101315.db2.gz RISVVPSFNKMDBP-UHFFFAOYSA-N 1 2 269.351 1.956 20 10 CDCDLO C[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)c2c1c(F)ccc2O ZINC000787031566 736803594 /nfs/dbraw/zinc/80/35/94/736803594.db2.gz OBDUHYWZTJIEHI-VXNVDRBHSA-N 1 2 277.303 1.393 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)NCCn1cc[nH+]c1 ZINC000043311450 737498278 /nfs/dbraw/zinc/49/82/78/737498278.db2.gz ARPXANZKDLCZGS-UHFFFAOYSA-N 1 2 274.324 1.430 20 10 CDCDLO O=C(NCc1ccccc1O)[C@H]1CCc2c[nH+]cn2C1 ZINC000816912481 738237556 /nfs/dbraw/zinc/23/75/56/738237556.db2.gz ZGBXXMRJZNIUBB-LBPRGKRZSA-N 1 2 271.320 1.468 20 10 CDCDLO CCN1C[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1=O ZINC000834890730 738300528 /nfs/dbraw/zinc/30/05/28/738300528.db2.gz PBBCAAICPHGWJP-WCBMZHEXSA-N 1 2 284.306 1.942 20 10 CDCDLO COC(=O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844398900 739105481 /nfs/dbraw/zinc/10/54/81/739105481.db2.gz DNDPBMIRYOYJQG-UHFFFAOYSA-N 1 2 266.341 1.236 20 10 CDCDLO COC(=O)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844398900 739105483 /nfs/dbraw/zinc/10/54/83/739105483.db2.gz DNDPBMIRYOYJQG-UHFFFAOYSA-N 1 2 266.341 1.236 20 10 CDCDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)c1ccccc1O ZINC000827946698 739201377 /nfs/dbraw/zinc/20/13/77/739201377.db2.gz PCJGARHQSBUTRI-SECBINFHSA-N 1 2 259.309 1.844 20 10 CDCDLO O=C1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)CCN12 ZINC001140464716 896203149 /nfs/dbraw/zinc/20/31/49/896203149.db2.gz AMXYQCKZJWGQFX-GFCCVEGCSA-N 1 2 280.755 1.852 20 10 CDCDLO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3O)CCN12 ZINC001140464716 896203156 /nfs/dbraw/zinc/20/31/56/896203156.db2.gz AMXYQCKZJWGQFX-GFCCVEGCSA-N 1 2 280.755 1.852 20 10 CDCDLO C[C@]1(CO)CC[N@H+](Cc2c(O)cc(F)cc2F)C[C@@H]1O ZINC001140583158 896966389 /nfs/dbraw/zinc/96/63/89/896966389.db2.gz XKAFKRJSAIWFGM-UONOGXRCSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@]1(CO)CC[N@@H+](Cc2c(O)cc(F)cc2F)C[C@@H]1O ZINC001140583158 896966402 /nfs/dbraw/zinc/96/64/02/896966402.db2.gz XKAFKRJSAIWFGM-UONOGXRCSA-N 1 2 287.306 1.236 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@@H](F)CC2)c(OC)c1 ZINC001141032198 899347812 /nfs/dbraw/zinc/34/78/12/899347812.db2.gz VIGSFKQROZMFKK-LBPRGKRZSA-N 1 2 297.326 1.912 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@@H](F)CC2)c(OC)c1 ZINC001141032198 899347824 /nfs/dbraw/zinc/34/78/24/899347824.db2.gz VIGSFKQROZMFKK-LBPRGKRZSA-N 1 2 297.326 1.912 20 10 CDCDLO Oc1cc(O)c(CCNc2cc[nH+]cc2F)cc1O ZINC001168009599 905429190 /nfs/dbraw/zinc/42/91/90/905429190.db2.gz LHLAVBCNROHVKE-UHFFFAOYSA-N 1 2 264.256 1.414 20 10 CDCDLO C[NH+](C)CCCN1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001138128400 936475364 /nfs/dbraw/zinc/47/53/64/936475364.db2.gz HOBJCGZLQIPJHN-UHFFFAOYSA-N 1 2 295.402 1.601 20 10 CDCDLO Oc1ccc(F)cc1C[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001140058401 936675037 /nfs/dbraw/zinc/67/50/37/936675037.db2.gz YIUGHAMYAVMWDW-STQMWFEESA-N 1 2 275.270 1.776 20 10 CDCDLO Oc1ccc(F)cc1C[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001140058401 936675039 /nfs/dbraw/zinc/67/50/39/936675039.db2.gz YIUGHAMYAVMWDW-STQMWFEESA-N 1 2 275.270 1.776 20 10 CDCDLO CN(C)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461067 936711814 /nfs/dbraw/zinc/71/18/14/936711814.db2.gz DEGAFQUGFGIOOG-UHFFFAOYSA-N 1 2 297.786 1.845 20 10 CDCDLO C[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C[C@@H]1O ZINC001140583090 936727722 /nfs/dbraw/zinc/72/77/22/936727722.db2.gz VZCSCUGKCLXTAC-OQPBUACISA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C[C@@H]1O ZINC001140583090 936727723 /nfs/dbraw/zinc/72/77/23/936727723.db2.gz VZCSCUGKCLXTAC-OQPBUACISA-N 1 2 257.280 1.873 20 10 CDCDLO N#CN1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141079109 936810405 /nfs/dbraw/zinc/81/04/05/936810405.db2.gz TZWXXOXYHCJJGD-UHFFFAOYSA-N 1 2 296.418 1.984 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140445 936818667 /nfs/dbraw/zinc/81/86/67/936818667.db2.gz MFYFELKTSCYCRU-AWEZNQCLSA-N 1 2 290.363 1.653 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140445 936818670 /nfs/dbraw/zinc/81/86/70/936818670.db2.gz MFYFELKTSCYCRU-AWEZNQCLSA-N 1 2 290.363 1.653 20 10 CDCDLO O=C1CC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3O)CCN12 ZINC001142524754 937027957 /nfs/dbraw/zinc/02/79/57/937027957.db2.gz JDDDPKLAGUQTDA-SNVBAGLBSA-N 1 2 282.290 1.477 20 10 CDCDLO O=C1CC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)CCN12 ZINC001142524754 937027959 /nfs/dbraw/zinc/02/79/59/937027959.db2.gz JDDDPKLAGUQTDA-SNVBAGLBSA-N 1 2 282.290 1.477 20 10 CDCDLO C[NH2+]C[C@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000853249562 927992430 /nfs/dbraw/zinc/99/24/30/927992430.db2.gz REVFGRPCOIEMKK-ZETCQYMHSA-N 1 2 273.720 1.651 20 10 CDCDLO CN1CC[C@]2(CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274837284 931588573 /nfs/dbraw/zinc/58/85/73/931588573.db2.gz VEQAMOLTNBOSBP-OAHLLOKOSA-N 1 2 292.335 1.000 20 10 CDCDLO CN1CC[C@]2(CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274837284 931588575 /nfs/dbraw/zinc/58/85/75/931588575.db2.gz VEQAMOLTNBOSBP-OAHLLOKOSA-N 1 2 292.335 1.000 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001138128492 932458655 /nfs/dbraw/zinc/45/86/55/932458655.db2.gz NRTZIZFXHCARCJ-NSHDSACASA-N 1 2 268.307 1.759 20 10 CDCDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cc(F)ccc1O ZINC000779034164 934359907 /nfs/dbraw/zinc/35/99/07/934359907.db2.gz PLBNUSKYTILRCJ-BXKDBHETSA-N 1 2 255.289 1.113 20 10 CDCDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cc(F)ccc1O ZINC000779034164 934359918 /nfs/dbraw/zinc/35/99/18/934359918.db2.gz PLBNUSKYTILRCJ-BXKDBHETSA-N 1 2 255.289 1.113 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1F ZINC001232259225 943191999 /nfs/dbraw/zinc/19/19/99/943191999.db2.gz HJIZXUVPPVRYQO-JOYOIKCWSA-N 1 2 275.707 1.920 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1F ZINC001232259225 943192004 /nfs/dbraw/zinc/19/20/04/943192004.db2.gz HJIZXUVPPVRYQO-JOYOIKCWSA-N 1 2 275.707 1.920 20 10 CDCDLO OC[C@@]1(F)CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260456 943192122 /nfs/dbraw/zinc/19/21/22/943192122.db2.gz QPMCVNBTXFEHRZ-GFCCVEGCSA-N 1 2 275.707 1.658 20 10 CDCDLO OC[C@@]1(F)CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260456 943192128 /nfs/dbraw/zinc/19/21/28/943192128.db2.gz QPMCVNBTXFEHRZ-GFCCVEGCSA-N 1 2 275.707 1.658 20 10 CDCDLO COc1cc(C)c(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC001236812152 944579246 /nfs/dbraw/zinc/57/92/46/944579246.db2.gz ZXLMIMMFUZDBFI-CABZTGNLSA-N 1 2 282.315 1.107 20 10 CDCDLO COc1cc(C)c(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC001236812152 944579255 /nfs/dbraw/zinc/57/92/55/944579255.db2.gz ZXLMIMMFUZDBFI-CABZTGNLSA-N 1 2 282.315 1.107 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@H]1O ZINC001237076935 944651925 /nfs/dbraw/zinc/65/19/25/944651925.db2.gz AWSRWLDSGDUJJD-RDDDGLTNSA-N 1 2 292.162 1.484 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@H]1O ZINC001237076935 944651928 /nfs/dbraw/zinc/65/19/28/944651928.db2.gz AWSRWLDSGDUJJD-RDDDGLTNSA-N 1 2 292.162 1.484 20 10 CDCDLO CN(C)C(=O)C[N@H+](C)Cc1cc(F)c(Cl)cc1O ZINC001237936387 945010255 /nfs/dbraw/zinc/01/02/55/945010255.db2.gz JEIOJGPEMAONAV-UHFFFAOYSA-N 1 2 274.723 1.705 20 10 CDCDLO CN(C)C(=O)C[N@@H+](C)Cc1cc(F)c(Cl)cc1O ZINC001237936387 945010265 /nfs/dbraw/zinc/01/02/65/945010265.db2.gz JEIOJGPEMAONAV-UHFFFAOYSA-N 1 2 274.723 1.705 20 10 CDCDLO Cc1cc(F)cc(C[NH+]2CCN(C(=O)N(C)C)CC2)c1O ZINC001238057274 945041457 /nfs/dbraw/zinc/04/14/57/945041457.db2.gz JXQRVTCMAQJSTB-UHFFFAOYSA-N 1 2 295.358 1.639 20 10 CDCDLO CC[N@H+](CCS(C)(=O)=O)Cc1cccc(Cl)c1O ZINC000180576161 357276407 /nfs/dbraw/zinc/27/64/07/357276407.db2.gz AAIXNGZOUTVJLV-UHFFFAOYSA-N 1 2 291.800 1.912 20 10 CDCDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cccc(Cl)c1O ZINC000180576161 357276411 /nfs/dbraw/zinc/27/64/11/357276411.db2.gz AAIXNGZOUTVJLV-UHFFFAOYSA-N 1 2 291.800 1.912 20 10 CDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293933051 370865505 /nfs/dbraw/zinc/86/55/05/370865505.db2.gz ZAKAXBDUPPNIBE-UHFFFAOYSA-N 1 2 298.452 1.928 20 10 CDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293933051 370865510 /nfs/dbraw/zinc/86/55/10/370865510.db2.gz ZAKAXBDUPPNIBE-UHFFFAOYSA-N 1 2 298.452 1.928 20 10 CDCDLO C[C@H](O)CN1CC[N@H+](Cc2cc(F)ccc2O)[C@@H](C)C1 ZINC000284278513 368510312 /nfs/dbraw/zinc/51/03/12/368510312.db2.gz HKNBGAHIQMJJRL-RYUDHWBXSA-N 1 2 282.359 1.418 20 10 CDCDLO C[C@H](O)CN1CC[N@@H+](Cc2cc(F)ccc2O)[C@@H](C)C1 ZINC000284278513 368510315 /nfs/dbraw/zinc/51/03/15/368510315.db2.gz HKNBGAHIQMJJRL-RYUDHWBXSA-N 1 2 282.359 1.418 20 10 CDCDLO COC(=O)c1cnoc1C[N@H+](C)Cc1ccccc1O ZINC000285528810 368638992 /nfs/dbraw/zinc/63/89/92/368638992.db2.gz GVAZPNYIMXZNEL-UHFFFAOYSA-N 1 2 276.292 1.799 20 10 CDCDLO COC(=O)c1cnoc1C[N@@H+](C)Cc1ccccc1O ZINC000285528810 368638995 /nfs/dbraw/zinc/63/89/95/368638995.db2.gz GVAZPNYIMXZNEL-UHFFFAOYSA-N 1 2 276.292 1.799 20 10 CDCDLO C[C@@H](O)C(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000131651984 390929148 /nfs/dbraw/zinc/92/91/48/390929148.db2.gz XGMJEDSCVACEDZ-SNVBAGLBSA-N 1 2 298.770 1.071 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1O ZINC000184674730 262026231 /nfs/dbraw/zinc/02/62/31/262026231.db2.gz QFXUGTYDFAKLKX-NSHDSACASA-N 1 2 298.770 1.894 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C(N)=O)c1O ZINC000184674730 262026232 /nfs/dbraw/zinc/02/62/32/262026232.db2.gz QFXUGTYDFAKLKX-NSHDSACASA-N 1 2 298.770 1.894 20 10 CDCDLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000378361426 329047528 /nfs/dbraw/zinc/04/75/28/329047528.db2.gz NQBNOWKZOZEXIW-ZDUSSCGKSA-N 1 2 278.352 1.071 20 10 CDCDLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000378361426 329047529 /nfs/dbraw/zinc/04/75/29/329047529.db2.gz NQBNOWKZOZEXIW-ZDUSSCGKSA-N 1 2 278.352 1.071 20 10 CDCDLO CCCC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)OC ZINC000274907318 521100864 /nfs/dbraw/zinc/10/08/64/521100864.db2.gz ISWKRYGGLRJRMD-LLVKDONJSA-N 1 2 295.335 1.942 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3cnns3)CC2)cc1 ZINC000290160006 524430434 /nfs/dbraw/zinc/43/04/34/524430434.db2.gz XKFJBMWRQKRIII-UHFFFAOYSA-N 1 2 290.392 1.869 20 10 CDCDLO O=C1OCC[C@@]12CCC[N@H+]2Cc1cc2c(cc1O)OCO2 ZINC000275147908 527096372 /nfs/dbraw/zinc/09/63/72/527096372.db2.gz RBUZOCJCKSHJAD-HNNXBMFYSA-N 1 2 291.303 1.402 20 10 CDCDLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1cc2c(cc1O)OCO2 ZINC000275147908 527096375 /nfs/dbraw/zinc/09/63/75/527096375.db2.gz RBUZOCJCKSHJAD-HNNXBMFYSA-N 1 2 291.303 1.402 20 10 CDCDLO COc1cccc(C[N@H+](C)Cc2nnc3n2CCC3)c1O ZINC000768224069 576265619 /nfs/dbraw/zinc/26/56/19/576265619.db2.gz PWOORQCPYLULTP-UHFFFAOYSA-N 1 2 288.351 1.571 20 10 CDCDLO COc1cccc(C[N@@H+](C)Cc2nnc3n2CCC3)c1O ZINC000768224069 576265620 /nfs/dbraw/zinc/26/56/20/576265620.db2.gz PWOORQCPYLULTP-UHFFFAOYSA-N 1 2 288.351 1.571 20 10 CDCDLO CCOc1ccc(C[N@H+](C)CCS(C)(=O)=O)c(O)c1 ZINC000768368077 576275750 /nfs/dbraw/zinc/27/57/50/576275750.db2.gz WMCCDBGKOYIEKW-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO CCOc1ccc(C[N@@H+](C)CCS(C)(=O)=O)c(O)c1 ZINC000768368077 576275755 /nfs/dbraw/zinc/27/57/55/576275755.db2.gz WMCCDBGKOYIEKW-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1c(O)cccc1OC ZINC000769320119 576345255 /nfs/dbraw/zinc/34/52/55/576345255.db2.gz IFYLLHWOHXEDET-LLVKDONJSA-N 1 2 264.325 1.111 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1c(O)cccc1OC ZINC000769320119 576345257 /nfs/dbraw/zinc/34/52/57/576345257.db2.gz IFYLLHWOHXEDET-LLVKDONJSA-N 1 2 264.325 1.111 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000769395503 576351658 /nfs/dbraw/zinc/35/16/58/576351658.db2.gz IGDMKIMAWCLTOG-NSHDSACASA-N 1 2 257.717 1.239 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000769395503 576351659 /nfs/dbraw/zinc/35/16/59/576351659.db2.gz IGDMKIMAWCLTOG-NSHDSACASA-N 1 2 257.717 1.239 20 10 CDCDLO CC[N@H+](Cc1ncnn1C)Cc1ccc(N(C)C)cc1 ZINC000750184171 576980860 /nfs/dbraw/zinc/98/08/60/576980860.db2.gz AUPSEGHJNSJEFG-UHFFFAOYSA-N 1 2 273.384 1.903 20 10 CDCDLO CC[N@@H+](Cc1ncnn1C)Cc1ccc(N(C)C)cc1 ZINC000750184171 576980861 /nfs/dbraw/zinc/98/08/61/576980861.db2.gz AUPSEGHJNSJEFG-UHFFFAOYSA-N 1 2 273.384 1.903 20 10 CDCDLO COC[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)OC ZINC000757636894 577047542 /nfs/dbraw/zinc/04/75/42/577047542.db2.gz HILPQIFMQDRHAY-PSASIEDQSA-N 1 2 275.295 1.982 20 10 CDCDLO Cc1n[nH]c(CC[NH2+][C@H](C)c2cc(F)cc(F)c2O)n1 ZINC000757639861 577047941 /nfs/dbraw/zinc/04/79/41/577047941.db2.gz VJHSIUWTCRDEEO-SSDOTTSWSA-N 1 2 282.294 1.990 20 10 CDCDLO Cc1nc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2O)n[nH]1 ZINC000757639861 577047942 /nfs/dbraw/zinc/04/79/42/577047942.db2.gz VJHSIUWTCRDEEO-SSDOTTSWSA-N 1 2 282.294 1.990 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894167573 618646981 /nfs/dbraw/zinc/64/69/81/618646981.db2.gz KGSOXVNNHWVHOX-SECBINFHSA-N 1 2 283.324 1.403 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894167573 618646986 /nfs/dbraw/zinc/64/69/86/618646986.db2.gz KGSOXVNNHWVHOX-SECBINFHSA-N 1 2 283.324 1.403 20 10 CDCDLO CCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000814177837 618701476 /nfs/dbraw/zinc/70/14/76/618701476.db2.gz QPNWGHUMFBLWLV-UHFFFAOYSA-N 1 2 297.311 1.006 20 10 CDCDLO O=C1NC2(CO1)CC[NH+](Cc1cc(F)cc(F)c1O)CC2 ZINC000894445191 618889519 /nfs/dbraw/zinc/88/95/19/618889519.db2.gz OHOJIVPDBNGOEO-UHFFFAOYSA-N 1 2 298.289 1.745 20 10 CDCDLO O=C(Cc1c[nH]c[nH+]1)NCCCSc1nccs1 ZINC000900683894 623370685 /nfs/dbraw/zinc/37/06/85/623370685.db2.gz SJFXQVBIMUDWPK-UHFFFAOYSA-N 1 2 282.394 1.707 20 10 CDCDLO O=C(/C=C\c1ccc(O)c(O)c1)N1CCn2c[nH+]cc2C1 ZINC000793514636 1162424671 /nfs/dbraw/zinc/42/46/71/1162424671.db2.gz GJMLKYYLTZAKHU-RQOWECAXSA-N 1 2 285.303 1.350 20 10 CDCDLO CC(C)(C)C(=O)NCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000882985822 739337519 /nfs/dbraw/zinc/33/75/19/739337519.db2.gz RHXREZYWRIEMBG-UHFFFAOYSA-N 1 2 286.322 1.922 20 10 CDCDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nnnn1C1CC1 ZINC000190546751 740219972 /nfs/dbraw/zinc/21/99/72/740219972.db2.gz PAJMQQPGKHRYRJ-JTQLQIEISA-N 1 2 285.351 1.794 20 10 CDCDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000093384592 740380212 /nfs/dbraw/zinc/38/02/12/740380212.db2.gz RBPUCJYOKMSOIE-VIFPVBQESA-N 1 2 291.800 1.911 20 10 CDCDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000093384592 740380216 /nfs/dbraw/zinc/38/02/16/740380216.db2.gz RBPUCJYOKMSOIE-VIFPVBQESA-N 1 2 291.800 1.911 20 10 CDCDLO COCCc1noc(C[N@H+](C)Cc2c(C)cccc2O)n1 ZINC000876759047 740790847 /nfs/dbraw/zinc/79/08/47/740790847.db2.gz JTNWYGGASOQXOA-UHFFFAOYSA-N 1 2 291.351 1.905 20 10 CDCDLO COCCc1noc(C[N@@H+](C)Cc2c(C)cccc2O)n1 ZINC000876759047 740790861 /nfs/dbraw/zinc/79/08/61/740790861.db2.gz JTNWYGGASOQXOA-UHFFFAOYSA-N 1 2 291.351 1.905 20 10 CDCDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000708422247 740995231 /nfs/dbraw/zinc/99/52/31/740995231.db2.gz LACSQRXJUBJOQT-DCXZOGHSSA-N 1 2 277.336 1.869 20 10 CDCDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000708422247 740995234 /nfs/dbraw/zinc/99/52/34/740995234.db2.gz LACSQRXJUBJOQT-DCXZOGHSSA-N 1 2 277.336 1.869 20 10 CDCDLO COc1c(O)c(CNC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000841028650 741520577 /nfs/dbraw/zinc/52/05/77/741520577.db2.gz BWUHCEOMUFWHDC-JTQLQIEISA-N 1 2 283.328 1.382 20 10 CDCDLO CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817980839 742032396 /nfs/dbraw/zinc/03/23/96/742032396.db2.gz XJJFXCJPBDAUGP-MWLCHTKSSA-N 1 2 266.341 1.567 20 10 CDCDLO OC1CCN(c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)cc2)CC1 ZINC000877545033 739353457 /nfs/dbraw/zinc/35/34/57/739353457.db2.gz DUAWOTRDIOGWIM-DLBZAZTESA-N 1 2 288.391 1.621 20 10 CDCDLO OC1CCN(c2ccc(C[N@H+]3CCO[C@@H]4C[C@@H]43)cc2)CC1 ZINC000877545033 739353461 /nfs/dbraw/zinc/35/34/61/739353461.db2.gz DUAWOTRDIOGWIM-DLBZAZTESA-N 1 2 288.391 1.621 20 10 CDCDLO O=C1C[N@H+](Cc2ccc3ccccc3c2O)CCN1 ZINC000816481337 740120182 /nfs/dbraw/zinc/12/01/82/740120182.db2.gz RDPOQASJNZEUFE-UHFFFAOYSA-N 1 2 256.305 1.477 20 10 CDCDLO O=C1C[N@@H+](Cc2ccc3ccccc3c2O)CCN1 ZINC000816481337 740120184 /nfs/dbraw/zinc/12/01/84/740120184.db2.gz RDPOQASJNZEUFE-UHFFFAOYSA-N 1 2 256.305 1.477 20 10 CDCDLO CCNC(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000121579018 740125358 /nfs/dbraw/zinc/12/53/58/740125358.db2.gz GSYVCNZFVJTLMO-UHFFFAOYSA-N 1 2 297.786 1.893 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCSC[C@H]2CO)c1O ZINC000388399945 740618600 /nfs/dbraw/zinc/61/86/00/740618600.db2.gz VCNKBJLXRLVMEH-GFCCVEGCSA-N 1 2 299.367 1.644 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCSC[C@H]2CO)c1O ZINC000388399945 740618606 /nfs/dbraw/zinc/61/86/06/740618606.db2.gz VCNKBJLXRLVMEH-GFCCVEGCSA-N 1 2 299.367 1.644 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000862531237 741090722 /nfs/dbraw/zinc/09/07/22/741090722.db2.gz DRNZDVYGHFSVHI-LLVKDONJSA-N 1 2 270.760 1.202 20 10 CDCDLO CC1(C)CN(Cc2cccc(Cl)c2O)CC[N@@H+]1CCO ZINC000783713720 741866371 /nfs/dbraw/zinc/86/63/71/741866371.db2.gz FMFZWMUMIAAIRP-UHFFFAOYSA-N 1 2 298.814 1.934 20 10 CDCDLO CC1(C)CN(Cc2cccc(Cl)c2O)CC[N@H+]1CCO ZINC000783713720 741866372 /nfs/dbraw/zinc/86/63/72/741866372.db2.gz FMFZWMUMIAAIRP-UHFFFAOYSA-N 1 2 298.814 1.934 20 10 CDCDLO COc1ccc(O)c([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000830540853 742359531 /nfs/dbraw/zinc/35/95/31/742359531.db2.gz OODAQPSRXNRAOY-VIFPVBQESA-N 1 2 275.308 1.544 20 10 CDCDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000846053829 742689625 /nfs/dbraw/zinc/68/96/25/742689625.db2.gz YVCFRXAYVXSQKU-RKDXNWHRSA-N 1 2 289.734 1.766 20 10 CDCDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000846053829 742689629 /nfs/dbraw/zinc/68/96/29/742689629.db2.gz YVCFRXAYVXSQKU-RKDXNWHRSA-N 1 2 289.734 1.766 20 10 CDCDLO COc1cc(C[N@H+](C2CC2)C2COC2)cc(O)c1O ZINC001204346372 917950172 /nfs/dbraw/zinc/95/01/72/917950172.db2.gz NKARUXFVXFANFR-UHFFFAOYSA-N 1 2 265.309 1.470 20 10 CDCDLO COc1cc(C[N@@H+](C2CC2)C2COC2)cc(O)c1O ZINC001204346372 917950182 /nfs/dbraw/zinc/95/01/82/917950182.db2.gz NKARUXFVXFANFR-UHFFFAOYSA-N 1 2 265.309 1.470 20 10 CDCDLO O=C(C1CCC1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138128568 936476110 /nfs/dbraw/zinc/47/61/10/936476110.db2.gz RTFQDOZTLXJBCP-UHFFFAOYSA-N 1 2 292.354 1.976 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(Cl)cc1O ZINC001140461829 936712374 /nfs/dbraw/zinc/71/23/74/936712374.db2.gz URKPNXJIUKKDMA-MNOVXSKESA-N 1 2 259.708 1.950 20 10 CDCDLO CCc1cccc(C[N@H+](C)Cc2nncn2C)c1O ZINC000692130390 934546988 /nfs/dbraw/zinc/54/69/88/934546988.db2.gz VVEOSYQQAMBJAI-UHFFFAOYSA-N 1 2 260.341 1.715 20 10 CDCDLO CCc1cccc(C[N@@H+](C)Cc2nncn2C)c1O ZINC000692130390 934546997 /nfs/dbraw/zinc/54/69/97/934546997.db2.gz VVEOSYQQAMBJAI-UHFFFAOYSA-N 1 2 260.341 1.715 20 10 CDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccccc2O)C1 ZINC001203550207 939692972 /nfs/dbraw/zinc/69/29/72/939692972.db2.gz MEFWCKNHUZAYDN-LBPRGKRZSA-N 1 2 277.320 1.346 20 10 CDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccccc2O)C1 ZINC001203550207 939692974 /nfs/dbraw/zinc/69/29/74/939692974.db2.gz MEFWCKNHUZAYDN-LBPRGKRZSA-N 1 2 277.320 1.346 20 10 CDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2O)CCC1=O ZINC001203550207 939692975 /nfs/dbraw/zinc/69/29/75/939692975.db2.gz MEFWCKNHUZAYDN-LBPRGKRZSA-N 1 2 277.320 1.346 20 10 CDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2O)CCC1=O ZINC001203550207 939692977 /nfs/dbraw/zinc/69/29/77/939692977.db2.gz MEFWCKNHUZAYDN-LBPRGKRZSA-N 1 2 277.320 1.346 20 10 CDCDLO [NH3+][C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@H]1O ZINC001206087268 939978487 /nfs/dbraw/zinc/97/84/87/939978487.db2.gz PDPDHZMXNZMIRO-GHMZBOCLSA-N 1 2 291.178 1.593 20 10 CDCDLO COc1ccc(N2CC[NH+](CC3=NOCC3)CC2)cc1F ZINC001307573452 956422853 /nfs/dbraw/zinc/42/28/53/956422853.db2.gz HPUPTWOYGISOOM-UHFFFAOYSA-N 1 2 293.342 1.733 20 10 CDCDLO COC(=O)N1CC([NH2+]Cc2cccc(Cl)c2O)C1 ZINC001308707968 956561703 /nfs/dbraw/zinc/56/17/03/956561703.db2.gz RZEIXMVWWUWSPY-UHFFFAOYSA-N 1 2 270.716 1.586 20 10 CDCDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000025836549 342341147 /nfs/dbraw/zinc/34/11/47/342341147.db2.gz FFUVZSYMXOJHDC-ZDUSSCGKSA-N 1 2 291.395 1.090 20 10 CDCDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000025836549 342341148 /nfs/dbraw/zinc/34/11/48/342341148.db2.gz FFUVZSYMXOJHDC-ZDUSSCGKSA-N 1 2 291.395 1.090 20 10 CDCDLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180227808 357253311 /nfs/dbraw/zinc/25/33/11/357253311.db2.gz QHLRBFSPNFCUBF-GFCCVEGCSA-N 1 2 276.315 1.997 20 10 CDCDLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000180227808 357253317 /nfs/dbraw/zinc/25/33/17/357253317.db2.gz QHLRBFSPNFCUBF-GFCCVEGCSA-N 1 2 276.315 1.997 20 10 CDCDLO CCN1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1=O ZINC000294683289 199133437 /nfs/dbraw/zinc/13/34/37/199133437.db2.gz STTLMXMDOPLAFI-UHFFFAOYSA-N 1 2 275.396 1.725 20 10 CDCDLO CCN1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1=O ZINC000294683289 199133438 /nfs/dbraw/zinc/13/34/38/199133438.db2.gz STTLMXMDOPLAFI-UHFFFAOYSA-N 1 2 275.396 1.725 20 10 CDCDLO O=C1NC[C@H]2C[N@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000156064846 361711120 /nfs/dbraw/zinc/71/11/20/361711120.db2.gz RTUGGSBGXCEJCJ-VIFPVBQESA-N 1 2 281.743 1.255 20 10 CDCDLO O=C1NC[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000156064846 361711129 /nfs/dbraw/zinc/71/11/29/361711129.db2.gz RTUGGSBGXCEJCJ-VIFPVBQESA-N 1 2 281.743 1.255 20 10 CDCDLO Nc1ccc(CC(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000269252735 364168582 /nfs/dbraw/zinc/16/85/82/364168582.db2.gz QHASKDXGAWIDKU-UHFFFAOYSA-N 1 2 284.363 1.661 20 10 CDCDLO COC(=O)C[N@H+](Cc1cccc(OC)c1O)C1CC1 ZINC000271275308 364980140 /nfs/dbraw/zinc/98/01/40/364980140.db2.gz OISOSTXNHLWQCJ-UHFFFAOYSA-N 1 2 265.309 1.538 20 10 CDCDLO COC(=O)C[N@@H+](Cc1cccc(OC)c1O)C1CC1 ZINC000271275308 364980143 /nfs/dbraw/zinc/98/01/43/364980143.db2.gz OISOSTXNHLWQCJ-UHFFFAOYSA-N 1 2 265.309 1.538 20 10 CDCDLO CN1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2O)C1=O ZINC000271759097 364995267 /nfs/dbraw/zinc/99/52/67/364995267.db2.gz DIRCTZYHJVUSMD-NSHDSACASA-N 1 2 268.744 1.708 20 10 CDCDLO CN1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2O)C1=O ZINC000271759097 364995273 /nfs/dbraw/zinc/99/52/73/364995273.db2.gz DIRCTZYHJVUSMD-NSHDSACASA-N 1 2 268.744 1.708 20 10 CDCDLO COc1cccc(C[N@@H+]2CCN(C(C)C)C(=O)C2)c1O ZINC000272580690 365304859 /nfs/dbraw/zinc/30/48/59/365304859.db2.gz YBYNVACZVLXJQZ-UHFFFAOYSA-N 1 2 278.352 1.453 20 10 CDCDLO COc1cccc(C[N@H+]2CCN(C(C)C)C(=O)C2)c1O ZINC000272580690 365304863 /nfs/dbraw/zinc/30/48/63/365304863.db2.gz YBYNVACZVLXJQZ-UHFFFAOYSA-N 1 2 278.352 1.453 20 10 CDCDLO C[C@H]([NH2+]Cc1cnnn1C)c1ccc(F)c(F)c1O ZINC000287517771 369223584 /nfs/dbraw/zinc/22/35/84/369223584.db2.gz ZLUJTBBJRFNOHK-ZETCQYMHSA-N 1 2 268.267 1.650 20 10 CDCDLO CCCNC(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000057548024 375527308 /nfs/dbraw/zinc/52/73/08/375527308.db2.gz LOKNAHKSFVHHJX-UHFFFAOYSA-N 1 2 291.395 1.343 20 10 CDCDLO CCOc1cccc(C[NH2+][C@@H](C(=O)OC)C2CC2)c1O ZINC000276441690 263036796 /nfs/dbraw/zinc/03/67/96/263036796.db2.gz ITLSBTGSPARSOL-CYBMUJFWSA-N 1 2 279.336 1.832 20 10 CDCDLO CCn1cnnc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273384085 281662188 /nfs/dbraw/zinc/66/21/88/281662188.db2.gz IZYNPYXFPMXOQM-SECBINFHSA-N 1 2 291.311 1.763 20 10 CDCDLO Oc1cccc(Cl)c1C[NH2+]Cc1nnc2n1CCC2 ZINC000264943659 526365570 /nfs/dbraw/zinc/36/55/70/526365570.db2.gz HMVGYAUTTWVJMP-UHFFFAOYSA-N 1 2 278.743 1.873 20 10 CDCDLO COC(=O)C[N@@H+](Cc1c(O)cccc1OC)C1CC1 ZINC000770282281 575436224 /nfs/dbraw/zinc/43/62/24/575436224.db2.gz ZXVNVWMFWLKICQ-UHFFFAOYSA-N 1 2 265.309 1.538 20 10 CDCDLO COC(=O)C[N@H+](Cc1c(O)cccc1OC)C1CC1 ZINC000770282281 575436222 /nfs/dbraw/zinc/43/62/22/575436222.db2.gz ZXVNVWMFWLKICQ-UHFFFAOYSA-N 1 2 265.309 1.538 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](C(=O)OC)C2)cc1 ZINC000773750218 575837694 /nfs/dbraw/zinc/83/76/94/575837694.db2.gz XDWIFNXSHIBQBW-OAHLLOKOSA-N 1 2 292.379 1.517 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](C(=O)OC)C2)cc1 ZINC000773750218 575837695 /nfs/dbraw/zinc/83/76/95/575837695.db2.gz XDWIFNXSHIBQBW-OAHLLOKOSA-N 1 2 292.379 1.517 20 10 CDCDLO O=C(C1=CC(=O)CS1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000743706550 576651616 /nfs/dbraw/zinc/65/16/16/576651616.db2.gz XOSNGYLTKXDGCB-NSHDSACASA-N 1 2 296.392 1.248 20 10 CDCDLO O=C(C1=CC(=O)CS1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000754455671 576897294 /nfs/dbraw/zinc/89/72/94/576897294.db2.gz XNZDBVVQJHNTOO-LLVKDONJSA-N 1 2 296.392 1.248 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]2CO)c1O ZINC000934024446 617845097 /nfs/dbraw/zinc/84/50/97/617845097.db2.gz CYEFRPMHHDRGLM-NSHDSACASA-N 1 2 253.273 1.301 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]2CO)c1O ZINC000934024446 617845099 /nfs/dbraw/zinc/84/50/99/617845099.db2.gz CYEFRPMHHDRGLM-NSHDSACASA-N 1 2 253.273 1.301 20 10 CDCDLO Nc1cc(COC(=O)c2cccc(O)c2O)cc[nH+]1 ZINC000792149339 618383261 /nfs/dbraw/zinc/38/32/61/618383261.db2.gz GDRXXNNKMRSTIL-UHFFFAOYSA-N 1 2 260.249 1.432 20 10 CDCDLO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898192427 621387666 /nfs/dbraw/zinc/38/76/66/621387666.db2.gz IUUSZYQWBQACMO-CMPLNLGQSA-N 1 2 259.708 1.950 20 10 CDCDLO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898192427 621387671 /nfs/dbraw/zinc/38/76/71/621387671.db2.gz IUUSZYQWBQACMO-CMPLNLGQSA-N 1 2 259.708 1.950 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)c1cn[nH]c1 ZINC001589954545 1173211279 /nfs/dbraw/zinc/21/12/79/1173211279.db2.gz YXUALNDUNCWWQZ-BDAKNGLRSA-N 1 2 299.338 1.707 20 10 CDCDLO Cc1n[nH]cc1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001592331780 1173857213 /nfs/dbraw/zinc/85/72/13/1173857213.db2.gz VAAWFSUJPHUREG-SECBINFHSA-N 1 2 299.338 1.455 20 10 CDCDLO COc1ccc(N(C)CC[N@H+](C)[C@H]2CCOC2=O)cc1 ZINC000844398741 743048520 /nfs/dbraw/zinc/04/85/20/743048520.db2.gz BDNHWFCPFBCZQP-AWEZNQCLSA-N 1 2 278.352 1.379 20 10 CDCDLO COc1ccc(N(C)CC[N@@H+](C)[C@H]2CCOC2=O)cc1 ZINC000844398741 743048533 /nfs/dbraw/zinc/04/85/33/743048533.db2.gz BDNHWFCPFBCZQP-AWEZNQCLSA-N 1 2 278.352 1.379 20 10 CDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000093643365 745805985 /nfs/dbraw/zinc/80/59/85/745805985.db2.gz XSKOZDOUHBICPO-UHFFFAOYSA-N 1 2 291.800 1.912 20 10 CDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000093643365 745805987 /nfs/dbraw/zinc/80/59/87/745805987.db2.gz XSKOZDOUHBICPO-UHFFFAOYSA-N 1 2 291.800 1.912 20 10 CDCDLO COc1c(O)c(C[NH2+]Cc2ccon2)ccc1[N+](=O)[O-] ZINC000775028625 745824649 /nfs/dbraw/zinc/82/46/49/745824649.db2.gz GCAIHFDJUAJWGI-UHFFFAOYSA-N 1 2 279.252 1.587 20 10 CDCDLO CNC(=O)C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000827863020 746075794 /nfs/dbraw/zinc/07/57/94/746075794.db2.gz XUYQGPVZRYUTMB-UHFFFAOYSA-N 1 2 260.696 1.363 20 10 CDCDLO CNC(=O)C[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000827863020 746075801 /nfs/dbraw/zinc/07/58/01/746075801.db2.gz XUYQGPVZRYUTMB-UHFFFAOYSA-N 1 2 260.696 1.363 20 10 CDCDLO C[N@@H+](CCS(C)(=O)=O)Cc1cc(Cl)ccc1O ZINC000156085894 747317771 /nfs/dbraw/zinc/31/77/71/747317771.db2.gz WDTXJVITFOKUPD-UHFFFAOYSA-N 1 2 277.773 1.522 20 10 CDCDLO CN1C(=O)[C@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@H]2C1=O ZINC000877721074 748114377 /nfs/dbraw/zinc/11/43/77/748114377.db2.gz ZKIMUXNBHCPGLD-AOOOYVTPSA-N 1 2 294.738 1.092 20 10 CDCDLO CN1C(=O)[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]2C1=O ZINC000877721074 748114388 /nfs/dbraw/zinc/11/43/88/748114388.db2.gz ZKIMUXNBHCPGLD-AOOOYVTPSA-N 1 2 294.738 1.092 20 10 CDCDLO OCCCN1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000824563822 748181471 /nfs/dbraw/zinc/18/14/71/748181471.db2.gz DGQBRYOFUCAYQP-CYBMUJFWSA-N 1 2 298.814 1.982 20 10 CDCDLO C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817944521 748544328 /nfs/dbraw/zinc/54/43/28/748544328.db2.gz FRXICLUAGLVURJ-IUCAKERBSA-N 1 2 251.286 1.313 20 10 CDCDLO COCC[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876555675 749013234 /nfs/dbraw/zinc/01/32/34/749013234.db2.gz CUJZBMSZCMHRGQ-UHFFFAOYSA-N 1 2 286.322 1.434 20 10 CDCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)C1(C)COC1 ZINC001140663403 936736507 /nfs/dbraw/zinc/73/65/07/936736507.db2.gz CPEHDFQXKNARCJ-UHFFFAOYSA-N 1 2 294.370 1.883 20 10 CDCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C1(C)COC1 ZINC001140663403 936736509 /nfs/dbraw/zinc/73/65/09/936736509.db2.gz CPEHDFQXKNARCJ-UHFFFAOYSA-N 1 2 294.370 1.883 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCCC(=O)CC2)c(OC)c1 ZINC001141026566 936794329 /nfs/dbraw/zinc/79/43/29/936794329.db2.gz VCEAYNGODYRYBO-UHFFFAOYSA-N 1 2 279.336 1.964 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCCC(=O)CC2)c(OC)c1 ZINC001141026566 936794332 /nfs/dbraw/zinc/79/43/32/936794332.db2.gz VCEAYNGODYRYBO-UHFFFAOYSA-N 1 2 279.336 1.964 20 10 CDCDLO Oc1ccc(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)cc1O ZINC001275821028 932063527 /nfs/dbraw/zinc/06/35/27/932063527.db2.gz GNRZRJMMTZMNFO-UHFFFAOYSA-N 1 2 299.374 1.744 20 10 CDCDLO [NH3+][C@@H]1CN(Cc2c(O)cccc2F)CCC1(F)F ZINC001206657021 937657699 /nfs/dbraw/zinc/65/76/99/937657699.db2.gz OCPRCBZPLYFRAN-LLVKDONJSA-N 1 2 260.259 1.700 20 10 CDCDLO CC(C)CN1CC[N@H+](Cc2ccc(N)cc2)[C@@H](C)C1=O ZINC001120268403 937790564 /nfs/dbraw/zinc/79/05/64/937790564.db2.gz DIEYPNPOQINCKX-ZDUSSCGKSA-N 1 2 275.396 1.958 20 10 CDCDLO CC(C)CN1CC[N@@H+](Cc2ccc(N)cc2)[C@@H](C)C1=O ZINC001120268403 937790565 /nfs/dbraw/zinc/79/05/65/937790565.db2.gz DIEYPNPOQINCKX-ZDUSSCGKSA-N 1 2 275.396 1.958 20 10 CDCDLO Cc1c(O)ccc(CN2CCC(F)(F)[C@H]([NH3+])C2)c1O ZINC001206668443 938705720 /nfs/dbraw/zinc/70/57/20/938705720.db2.gz RBXOGSPZWQFTNV-LLVKDONJSA-N 1 2 272.295 1.575 20 10 CDCDLO NC(=O)c1noc2c1C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001278255226 945214937 /nfs/dbraw/zinc/21/49/37/945214937.db2.gz PFRARRGFQGMLQF-UHFFFAOYSA-N 1 2 291.282 1.177 20 10 CDCDLO NC(=O)c1noc2c1C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC001278255226 945214941 /nfs/dbraw/zinc/21/49/41/945214941.db2.gz PFRARRGFQGMLQF-UHFFFAOYSA-N 1 2 291.282 1.177 20 10 CDCDLO CNc1ccc(N(CCO)c2ccc(N)cc2)c[nH+]1 ZINC001203455922 939687380 /nfs/dbraw/zinc/68/73/80/939687380.db2.gz YQVWXDBPDBTTOA-UHFFFAOYSA-N 1 2 258.325 1.836 20 10 CDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccccc2O)C1 ZINC001203550206 939692901 /nfs/dbraw/zinc/69/29/01/939692901.db2.gz MEFWCKNHUZAYDN-GFCCVEGCSA-N 1 2 277.320 1.346 20 10 CDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccccc2O)C1 ZINC001203550206 939692902 /nfs/dbraw/zinc/69/29/02/939692902.db2.gz MEFWCKNHUZAYDN-GFCCVEGCSA-N 1 2 277.320 1.346 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)CCC1=O ZINC001203550206 939692903 /nfs/dbraw/zinc/69/29/03/939692903.db2.gz MEFWCKNHUZAYDN-GFCCVEGCSA-N 1 2 277.320 1.346 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2O)CCC1=O ZINC001203550206 939692904 /nfs/dbraw/zinc/69/29/04/939692904.db2.gz MEFWCKNHUZAYDN-GFCCVEGCSA-N 1 2 277.320 1.346 20 10 CDCDLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874915 939710267 /nfs/dbraw/zinc/71/02/67/939710267.db2.gz FAPVMBNTWOCSMV-WDEREUQCSA-N 1 2 255.289 1.250 20 10 CDCDLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874915 939710268 /nfs/dbraw/zinc/71/02/68/939710268.db2.gz FAPVMBNTWOCSMV-WDEREUQCSA-N 1 2 255.289 1.250 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(O)c(O)c3)[C@H]2C1 ZINC001203874847 939710555 /nfs/dbraw/zinc/71/05/55/939710555.db2.gz DHXXTECCNQWJGU-SLEUVZQESA-N 1 2 279.336 1.070 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccc(O)c(O)c3)[C@H]2C1 ZINC001203874847 939710557 /nfs/dbraw/zinc/71/05/57/939710557.db2.gz DHXXTECCNQWJGU-SLEUVZQESA-N 1 2 279.336 1.070 20 10 CDCDLO C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001231565969 942929876 /nfs/dbraw/zinc/92/98/76/942929876.db2.gz FYFCJWGWLZACDP-OCCSQVGLSA-N 1 2 290.363 1.616 20 10 CDCDLO C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001231565969 942929874 /nfs/dbraw/zinc/92/98/74/942929874.db2.gz FYFCJWGWLZACDP-OCCSQVGLSA-N 1 2 290.363 1.616 20 10 CDCDLO C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001231565969 942929880 /nfs/dbraw/zinc/92/98/80/942929880.db2.gz FYFCJWGWLZACDP-OCCSQVGLSA-N 1 2 290.363 1.616 20 10 CDCDLO C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001231565969 942929884 /nfs/dbraw/zinc/92/98/84/942929884.db2.gz FYFCJWGWLZACDP-OCCSQVGLSA-N 1 2 290.363 1.616 20 10 CDCDLO COC[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231857865 943030896 /nfs/dbraw/zinc/03/08/96/943030896.db2.gz ONKGEDBSGBTVGK-OAHLLOKOSA-N 1 2 294.395 1.608 20 10 CDCDLO COC[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231857865 943030901 /nfs/dbraw/zinc/03/09/01/943030901.db2.gz ONKGEDBSGBTVGK-OAHLLOKOSA-N 1 2 294.395 1.608 20 10 CDCDLO NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231880663 943038024 /nfs/dbraw/zinc/03/80/24/943038024.db2.gz BNNSZXVRAJGDEB-JSGCOSHPSA-N 1 2 288.322 1.943 20 10 CDCDLO NC(=O)[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc2ccccc2c1O ZINC001231880663 943038026 /nfs/dbraw/zinc/03/80/26/943038026.db2.gz BNNSZXVRAJGDEB-JSGCOSHPSA-N 1 2 288.322 1.943 20 10 CDCDLO O=C1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCN1 ZINC001233451548 943587476 /nfs/dbraw/zinc/58/74/76/943587476.db2.gz OUSQDHCOQLHVKX-UHFFFAOYSA-N 1 2 274.242 1.343 20 10 CDCDLO O=C1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCN1 ZINC001233451548 943587478 /nfs/dbraw/zinc/58/74/78/943587478.db2.gz OUSQDHCOQLHVKX-UHFFFAOYSA-N 1 2 274.242 1.343 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@H]1O ZINC001237804781 944958331 /nfs/dbraw/zinc/95/83/31/944958331.db2.gz GKHISTOUQQYFKQ-BXKDBHETSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@H]1O ZINC001237804781 944958336 /nfs/dbraw/zinc/95/83/36/944958336.db2.gz GKHISTOUQQYFKQ-BXKDBHETSA-N 1 2 289.734 1.360 20 10 CDCDLO Oc1c(CN2CC[NH+]3CCC2CC3)ccc(F)c1F ZINC000722814439 947407245 /nfs/dbraw/zinc/40/72/45/947407245.db2.gz MOASVNKFZOKJLM-UHFFFAOYSA-N 1 2 268.307 1.950 20 10 CDCDLO C[C@@H]([NH2+]C1CC[NH+](CC(=O)[O-])CC1)c1ccc(F)cc1O ZINC001589124185 956154793 /nfs/dbraw/zinc/15/47/93/956154793.db2.gz RIWPFOYBWSESJZ-SNVBAGLBSA-N 1 2 296.342 1.731 20 10 CDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(F)ccc1O ZINC000180196118 357250594 /nfs/dbraw/zinc/25/05/94/357250594.db2.gz UZRLLYCTZPLZTN-UHFFFAOYSA-N 1 2 275.345 1.398 20 10 CDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(F)ccc1O ZINC000180196118 357250602 /nfs/dbraw/zinc/25/06/02/357250602.db2.gz UZRLLYCTZPLZTN-UHFFFAOYSA-N 1 2 275.345 1.398 20 10 CDCDLO Cc1cc(Cl)cc(C[N@H+]2CCN(C)C(=O)C2)c1O ZINC000180293177 357260025 /nfs/dbraw/zinc/26/00/25/357260025.db2.gz PFXLXEAARZMEJL-UHFFFAOYSA-N 1 2 268.744 1.628 20 10 CDCDLO Cc1cc(Cl)cc(C[N@@H+]2CCN(C)C(=O)C2)c1O ZINC000180293177 357260031 /nfs/dbraw/zinc/26/00/31/357260031.db2.gz PFXLXEAARZMEJL-UHFFFAOYSA-N 1 2 268.744 1.628 20 10 CDCDLO CCCOc1ccc(C[NH2+][C@H](C)C(=O)OC)c(O)c1 ZINC000193093274 358264380 /nfs/dbraw/zinc/26/43/80/358264380.db2.gz CAMOIYREXGZZJP-SNVBAGLBSA-N 1 2 267.325 1.832 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]CC1(O)CCOCC1 ZINC000124797693 360400675 /nfs/dbraw/zinc/40/06/75/360400675.db2.gz CDXILBOFVOOLEH-UHFFFAOYSA-N 1 2 271.744 1.677 20 10 CDCDLO CCCOc1ccc(C[N@H+](C)CC(=O)OC)c(O)c1 ZINC000179396104 391204063 /nfs/dbraw/zinc/20/40/63/391204063.db2.gz NNTOGQKUUCRTQU-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CCCOc1ccc(C[N@@H+](C)CC(=O)OC)c(O)c1 ZINC000179396104 391204067 /nfs/dbraw/zinc/20/40/67/391204067.db2.gz NNTOGQKUUCRTQU-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO COC(=O)COc1ccc([N@H+](C)CCCCCO)cc1 ZINC000183797613 391269859 /nfs/dbraw/zinc/26/98/59/391269859.db2.gz QDPHAWWLFSGSGQ-UHFFFAOYSA-N 1 2 281.352 1.837 20 10 CDCDLO COC(=O)COc1ccc([N@@H+](C)CCCCCO)cc1 ZINC000183797613 391269862 /nfs/dbraw/zinc/26/98/62/391269862.db2.gz QDPHAWWLFSGSGQ-UHFFFAOYSA-N 1 2 281.352 1.837 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000195013541 391374600 /nfs/dbraw/zinc/37/46/00/391374600.db2.gz SEKQDQZSQMOWKD-OAHLLOKOSA-N 1 2 279.336 1.392 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000195013541 391374602 /nfs/dbraw/zinc/37/46/02/391374602.db2.gz SEKQDQZSQMOWKD-OAHLLOKOSA-N 1 2 279.336 1.392 20 10 CDCDLO CC[C@@H]([NH2+]Cc1nncn1C)c1ccc(F)cc1O ZINC000285703324 391497708 /nfs/dbraw/zinc/49/77/08/391497708.db2.gz PFHDVTCDQLBCAA-LLVKDONJSA-N 1 2 264.304 1.901 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@H](CO)c2ccccc21 ZINC000493796438 393222227 /nfs/dbraw/zinc/22/22/27/393222227.db2.gz VKMAMEZREVRLGW-MVIFTORASA-N 1 2 269.304 1.546 20 10 CDCDLO C[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715712147 746830628 /nfs/dbraw/zinc/83/06/28/746830628.db2.gz JADHDAFNGATVAU-LURJTMIESA-N 1 2 278.121 1.764 20 10 CDCDLO C[C@H](C[S@@](C)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000164408435 261350397 /nfs/dbraw/zinc/35/03/97/261350397.db2.gz VXUWULBFUOZIKV-BCTVWOGZSA-N 1 2 261.774 1.902 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)C(=O)OC)c1 ZINC000280752745 263064241 /nfs/dbraw/zinc/06/42/41/263064241.db2.gz DWEHYXMYWHURNI-SNVBAGLBSA-N 1 2 267.325 1.784 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+](C)[C@H](C)C(=O)OC)c1 ZINC000280752745 263064242 /nfs/dbraw/zinc/06/42/42/263064242.db2.gz DWEHYXMYWHURNI-SNVBAGLBSA-N 1 2 267.325 1.784 20 10 CDCDLO Cn1c[nH+]c2c1CCN(Cc1cc(F)ccc1O)C2 ZINC000367930198 267128463 /nfs/dbraw/zinc/12/84/63/267128463.db2.gz MXINMGAAZUBUCM-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Cn1cnc2c1CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000367930198 267128466 /nfs/dbraw/zinc/12/84/66/267128466.db2.gz MXINMGAAZUBUCM-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Cn1cnc2c1CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000367930198 267128468 /nfs/dbraw/zinc/12/84/68/267128468.db2.gz MXINMGAAZUBUCM-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCO[C@@H](C(=O)OC)C2)c(O)c1 ZINC000769333967 576347162 /nfs/dbraw/zinc/34/71/62/576347162.db2.gz WGZPPEBNNXBVLV-CQSZACIVSA-N 1 2 295.335 1.165 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCO[C@@H](C(=O)OC)C2)c(O)c1 ZINC000769333967 576347164 /nfs/dbraw/zinc/34/71/64/576347164.db2.gz WGZPPEBNNXBVLV-CQSZACIVSA-N 1 2 295.335 1.165 20 10 CDCDLO OC[C@]1([NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC000757978232 577065016 /nfs/dbraw/zinc/06/50/16/577065016.db2.gz LIJCGQPLVOPJFA-GFCCVEGCSA-N 1 2 275.707 1.426 20 10 CDCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cncnc1)CCC2 ZINC001137670362 1167029495 /nfs/dbraw/zinc/02/94/95/1167029495.db2.gz MWICCEDCVRINMY-UHFFFAOYSA-N 1 2 271.320 1.836 20 10 CDCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cncnc1)CCC2 ZINC001137670362 1167029500 /nfs/dbraw/zinc/02/95/00/1167029500.db2.gz MWICCEDCVRINMY-UHFFFAOYSA-N 1 2 271.320 1.836 20 10 CDCDLO CC(C)[C@H](O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589959847 1173212323 /nfs/dbraw/zinc/21/23/23/1173212323.db2.gz VZLVIDWYGJQTOW-BXKDBHETSA-N 1 2 291.355 1.240 20 10 CDCDLO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883044201 749488734 /nfs/dbraw/zinc/48/87/34/749488734.db2.gz KVBNHOMGYYUBCE-LLVKDONJSA-N 1 2 299.321 1.564 20 10 CDCDLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000825196973 749944739 /nfs/dbraw/zinc/94/47/39/749944739.db2.gz RMAKXHNGMUOUMJ-VXGBXAGGSA-N 1 2 271.744 1.939 20 10 CDCDLO CC[N@H+](CC(=O)NC)Cc1cc(Cl)c(F)cc1O ZINC000816486355 750814347 /nfs/dbraw/zinc/81/43/47/750814347.db2.gz ZIARACYDDDHFNS-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO CC[N@@H+](CC(=O)NC)Cc1cc(Cl)c(F)cc1O ZINC000816486355 750814348 /nfs/dbraw/zinc/81/43/48/750814348.db2.gz ZIARACYDDDHFNS-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(F)cc(F)c1O ZINC000840826408 750874189 /nfs/dbraw/zinc/87/41/89/750874189.db2.gz XJYIAYAIGHFICV-DTWKUNHWSA-N 1 2 284.306 1.847 20 10 CDCDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cc(F)ccc1O ZINC000779034166 751007959 /nfs/dbraw/zinc/00/79/59/751007959.db2.gz PLBNUSKYTILRCJ-JOYOIKCWSA-N 1 2 255.289 1.113 20 10 CDCDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cc(F)ccc1O ZINC000779034166 751007968 /nfs/dbraw/zinc/00/79/68/751007968.db2.gz PLBNUSKYTILRCJ-JOYOIKCWSA-N 1 2 255.289 1.113 20 10 CDCDLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)c(O)c1O ZINC000182417318 753314081 /nfs/dbraw/zinc/31/40/81/753314081.db2.gz AQYDEMSGYAMATD-UHFFFAOYSA-N 1 2 261.281 1.102 20 10 CDCDLO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1c(O)cc(F)cc1F ZINC001275307045 1166665981 /nfs/dbraw/zinc/66/59/81/1166665981.db2.gz WJUHXGNXLJANEB-PHIMTYICSA-N 1 2 284.306 1.185 20 10 CDCDLO C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1c(O)cc(F)cc1F ZINC001275307045 1166665984 /nfs/dbraw/zinc/66/59/84/1166665984.db2.gz WJUHXGNXLJANEB-PHIMTYICSA-N 1 2 284.306 1.185 20 10 CDCDLO [NH3+][C@@]12CC[C@H]1CN(Cc1c(O)cc(F)cc1F)C2 ZINC001235987097 914488874 /nfs/dbraw/zinc/48/88/74/914488874.db2.gz FOBDSRQPHSIBHO-ISVAXAHUSA-N 1 2 254.280 1.594 20 10 CDCDLO COC[C@H]1COCC[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141031053 936794747 /nfs/dbraw/zinc/79/47/47/936794747.db2.gz WCNCNLPIKFKRIK-NSHDSACASA-N 1 2 297.351 1.257 20 10 CDCDLO COC[C@H]1COCC[N@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141031053 936794748 /nfs/dbraw/zinc/79/47/48/936794748.db2.gz WCNCNLPIKFKRIK-NSHDSACASA-N 1 2 297.351 1.257 20 10 CDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(F)C[NH2+]C1 ZINC001161135552 932771097 /nfs/dbraw/zinc/77/10/97/932771097.db2.gz ZHWKGNSMQSJQKM-UHFFFAOYSA-N 1 2 279.359 1.413 20 10 CDCDLO Cc1c(O)ccc(CN2CCC(F)(F)[C@@H]([NH3+])C2)c1O ZINC001206668445 938705513 /nfs/dbraw/zinc/70/55/13/938705513.db2.gz RBXOGSPZWQFTNV-NSHDSACASA-N 1 2 272.295 1.575 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1Cl ZINC001232260827 943192550 /nfs/dbraw/zinc/19/25/50/943192550.db2.gz RSPFYNLKHPNGMN-NSHDSACASA-N 1 2 298.770 1.268 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1Cl ZINC001232260827 943192556 /nfs/dbraw/zinc/19/25/56/943192556.db2.gz RSPFYNLKHPNGMN-NSHDSACASA-N 1 2 298.770 1.268 20 10 CDCDLO CN1CC2(C1)CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232263636 943193858 /nfs/dbraw/zinc/19/38/58/943193858.db2.gz UGOMPBIZAWSXAT-UHFFFAOYSA-N 1 2 282.771 1.889 20 10 CDCDLO C[NH+]1CC2(C1)CCN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001232263636 943193861 /nfs/dbraw/zinc/19/38/61/943193861.db2.gz UGOMPBIZAWSXAT-UHFFFAOYSA-N 1 2 282.771 1.889 20 10 CDCDLO CN1CC2(C1)CC[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232263636 943193847 /nfs/dbraw/zinc/19/38/47/943193847.db2.gz UGOMPBIZAWSXAT-UHFFFAOYSA-N 1 2 282.771 1.889 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2C[C@H](F)C[C@H]2CO)cc1Cl ZINC001232266940 943196602 /nfs/dbraw/zinc/19/66/02/943196602.db2.gz SXBPRLBVCYUNDX-ZJUUUORDSA-N 1 2 289.734 1.959 20 10 CDCDLO COc1cc(O)c(C[N@H+]2C[C@H](F)C[C@H]2CO)cc1Cl ZINC001232266940 943196605 /nfs/dbraw/zinc/19/66/05/943196605.db2.gz SXBPRLBVCYUNDX-ZJUUUORDSA-N 1 2 289.734 1.959 20 10 CDCDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(O)c(O)cc1O ZINC001233485331 943592901 /nfs/dbraw/zinc/59/29/01/943592901.db2.gz RBIFEIIJEIYMHQ-FOSCPWQOSA-N 1 2 295.335 1.182 20 10 CDCDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(O)c(O)cc1O ZINC001233485331 943592906 /nfs/dbraw/zinc/59/29/06/943592906.db2.gz RBIFEIIJEIYMHQ-FOSCPWQOSA-N 1 2 295.335 1.182 20 10 CDCDLO COc1cc(C[NH+]2CCN(C(C)=O)CC2)c(O)c(OC)c1 ZINC001237668804 944918245 /nfs/dbraw/zinc/91/82/45/944918245.db2.gz GRVJOMCNCIICBS-UHFFFAOYSA-N 1 2 294.351 1.074 20 10 CDCDLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(N2CCCC2)cc1 ZINC001323285298 960617449 /nfs/dbraw/zinc/61/74/49/960617449.db2.gz FMLYGGASOOKDLD-UHFFFAOYSA-N 1 2 296.436 1.763 20 10 CDCDLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(N2CCCC2)cc1 ZINC001323285298 960617456 /nfs/dbraw/zinc/61/74/56/960617456.db2.gz FMLYGGASOOKDLD-UHFFFAOYSA-N 1 2 296.436 1.763 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H](O)Cc2ccccc21 ZINC000492870953 366184055 /nfs/dbraw/zinc/18/40/55/366184055.db2.gz WQZJPTQCHHZBLQ-GFUIURDCSA-N 1 2 269.304 1.373 20 10 CDCDLO Oc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1O ZINC000031415686 356764261 /nfs/dbraw/zinc/76/42/61/356764261.db2.gz KASPTNXQKINYTJ-UHFFFAOYSA-N 1 2 286.335 1.210 20 10 CDCDLO CC[N@H+](CCCN1C(=O)CNC1=O)c1ccc(OC)cc1 ZINC000299375317 357048156 /nfs/dbraw/zinc/04/81/56/357048156.db2.gz LYQGXVMTFLLCGG-UHFFFAOYSA-N 1 2 291.351 1.463 20 10 CDCDLO CC[N@@H+](CCCN1C(=O)CNC1=O)c1ccc(OC)cc1 ZINC000299375317 357048161 /nfs/dbraw/zinc/04/81/61/357048161.db2.gz LYQGXVMTFLLCGG-UHFFFAOYSA-N 1 2 291.351 1.463 20 10 CDCDLO CC[N@H+](CC(N)=O)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000188464378 357900814 /nfs/dbraw/zinc/90/08/14/357900814.db2.gz PVTPNYCSTOYHEZ-UHFFFAOYSA-N 1 2 284.743 1.555 20 10 CDCDLO CC[N@@H+](CC(N)=O)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000188464378 357900816 /nfs/dbraw/zinc/90/08/16/357900816.db2.gz PVTPNYCSTOYHEZ-UHFFFAOYSA-N 1 2 284.743 1.555 20 10 CDCDLO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(F)c(F)c1O ZINC000191198292 358119152 /nfs/dbraw/zinc/11/91/52/358119152.db2.gz JMBXHSXEBFYKIB-KWQFWETISA-N 1 2 284.306 1.990 20 10 CDCDLO COC(=O)N1CC([NH2+][C@H](C)c2ccc(F)c(F)c2O)C1 ZINC000276863290 291181393 /nfs/dbraw/zinc/18/13/93/291181393.db2.gz CWAXOFAJXUUKND-SSDOTTSWSA-N 1 2 286.278 1.772 20 10 CDCDLO CS(=O)(=O)CCC[NH2+]Cc1cccc(Cl)c1O ZINC000124801695 360400888 /nfs/dbraw/zinc/40/08/88/360400888.db2.gz HCKYOTABXUJWMB-UHFFFAOYSA-N 1 2 277.773 1.570 20 10 CDCDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000272289812 365174769 /nfs/dbraw/zinc/17/47/69/365174769.db2.gz NZBSDUOICZCKHL-CLFVBBPSSA-N 1 2 271.357 1.873 20 10 CDCDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1cc(F)ccc1O ZINC000272289812 365174778 /nfs/dbraw/zinc/17/47/78/365174778.db2.gz NZBSDUOICZCKHL-CLFVBBPSSA-N 1 2 271.357 1.873 20 10 CDCDLO CCN1CC[N@H+](Cc2cccc(F)c2O)CC1=O ZINC000273348190 365487239 /nfs/dbraw/zinc/48/72/39/365487239.db2.gz ALUGFEMGLMUCLO-UHFFFAOYSA-N 1 2 252.289 1.195 20 10 CDCDLO CCN1CC[N@@H+](Cc2cccc(F)c2O)CC1=O ZINC000273348190 365487243 /nfs/dbraw/zinc/48/72/43/365487243.db2.gz ALUGFEMGLMUCLO-UHFFFAOYSA-N 1 2 252.289 1.195 20 10 CDCDLO C[C@@H]([NH2+]CCn1cncn1)c1ccc(F)c(F)c1O ZINC000276925800 296127193 /nfs/dbraw/zinc/12/71/93/296127193.db2.gz NEWAUSIPYOHBDW-MRVPVSSYSA-N 1 2 268.267 1.613 20 10 CDCDLO C[N@H+](CC(=O)NC1CC1)Cc1c(O)cccc1Cl ZINC000120349947 390868796 /nfs/dbraw/zinc/86/87/96/390868796.db2.gz FJHLGEDSWWHQJI-UHFFFAOYSA-N 1 2 268.744 1.756 20 10 CDCDLO C[N@@H+](CC(=O)NC1CC1)Cc1c(O)cccc1Cl ZINC000120349947 390868801 /nfs/dbraw/zinc/86/88/01/390868801.db2.gz FJHLGEDSWWHQJI-UHFFFAOYSA-N 1 2 268.744 1.756 20 10 CDCDLO O=C1OC[C@H]2C[N@H+](Cc3cccc(F)c3O)CCN12 ZINC000361052176 391678917 /nfs/dbraw/zinc/67/89/17/391678917.db2.gz MBFFBAPIPIHQAM-SNVBAGLBSA-N 1 2 266.272 1.168 20 10 CDCDLO O=C1OC[C@H]2C[N@@H+](Cc3cccc(F)c3O)CCN12 ZINC000361052176 391678920 /nfs/dbraw/zinc/67/89/20/391678920.db2.gz MBFFBAPIPIHQAM-SNVBAGLBSA-N 1 2 266.272 1.168 20 10 CDCDLO OC[C@]1([NH2+]Cc2cc(Cl)cc(Cl)c2O)CCOC1 ZINC000184194785 262272366 /nfs/dbraw/zinc/27/23/66/262272366.db2.gz PXSNYQGEXMGEHL-GFCCVEGCSA-N 1 2 292.162 1.940 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)c1O ZINC000285709136 278243857 /nfs/dbraw/zinc/24/38/57/278243857.db2.gz WGSNZPDCSFPTEK-CHWSQXEVSA-N 1 2 299.754 1.440 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2COC[C@H]2O)c1O ZINC000285709136 278243858 /nfs/dbraw/zinc/24/38/58/278243858.db2.gz WGSNZPDCSFPTEK-CHWSQXEVSA-N 1 2 299.754 1.440 20 10 CDCDLO COC[C@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000290224392 293113296 /nfs/dbraw/zinc/11/32/96/293113296.db2.gz RCUZQCPEJZDFDE-SFYZADRCSA-N 1 2 261.268 1.328 20 10 CDCDLO COC(C)(C)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591314734 1173602104 /nfs/dbraw/zinc/60/21/04/1173602104.db2.gz REAJKJSWDVRIHT-VIFPVBQESA-N 1 2 291.355 1.648 20 10 CDCDLO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000275794325 521155339 /nfs/dbraw/zinc/15/53/39/521155339.db2.gz JICUROWZUGQJLQ-JTQLQIEISA-N 1 2 276.340 1.770 20 10 CDCDLO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000290296315 524009584 /nfs/dbraw/zinc/00/95/84/524009584.db2.gz YJCFYBOYPUYVBH-GGVZMXCHSA-N 1 2 273.279 1.735 20 10 CDCDLO O=C1NC[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC000156062702 527077406 /nfs/dbraw/zinc/07/74/06/527077406.db2.gz CHOOSIFWYAMBEY-NSHDSACASA-N 1 2 281.743 1.255 20 10 CDCDLO O=C1NC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC000156062702 527077410 /nfs/dbraw/zinc/07/74/10/527077410.db2.gz CHOOSIFWYAMBEY-NSHDSACASA-N 1 2 281.743 1.255 20 10 CDCDLO O=C1CC[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3O)CC[C@@H]2N1 ZINC000895258299 619501393 /nfs/dbraw/zinc/50/13/93/619501393.db2.gz BYOWZGUFJOJEPU-RNCFNFMXSA-N 1 2 296.317 1.771 20 10 CDCDLO O=C1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)CC[C@@H]2N1 ZINC000895258299 619501396 /nfs/dbraw/zinc/50/13/96/619501396.db2.gz BYOWZGUFJOJEPU-RNCFNFMXSA-N 1 2 296.317 1.771 20 10 CDCDLO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000895327969 619565104 /nfs/dbraw/zinc/56/51/04/619565104.db2.gz FONAWCWXPPWRDN-GXFFZTMASA-N 1 2 271.744 1.363 20 10 CDCDLO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000895327969 619565107 /nfs/dbraw/zinc/56/51/07/619565107.db2.gz FONAWCWXPPWRDN-GXFFZTMASA-N 1 2 271.744 1.363 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCc2nncn2CC1 ZINC001142509009 1160689252 /nfs/dbraw/zinc/68/92/52/1160689252.db2.gz SWSQHAOJHCAMSA-UHFFFAOYSA-N 1 2 280.278 1.320 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCc2nncn2CC1 ZINC001142509009 1160689255 /nfs/dbraw/zinc/68/92/55/1160689255.db2.gz SWSQHAOJHCAMSA-UHFFFAOYSA-N 1 2 280.278 1.320 20 10 CDCDLO C[C@@H]([NH2+]Cc1cncn1C)c1cccc(-c2nn[nH]n2)c1O ZINC001603670349 1175591897 /nfs/dbraw/zinc/59/18/97/1175591897.db2.gz FICYKYLEEBQKBW-SECBINFHSA-N 1 2 299.338 1.157 20 10 CDCDLO CN1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000776174422 754054107 /nfs/dbraw/zinc/05/41/07/754054107.db2.gz MANPJEKBZHYUEB-SNVBAGLBSA-N 1 2 258.724 1.978 20 10 CDCDLO C[NH+](C)Cc1cnc(C=C2SC(=S)NC2=O)s1 ZINC000794689421 754200633 /nfs/dbraw/zinc/20/06/33/754200633.db2.gz BOROLFRSLOIFSZ-CLTKARDFSA-N 1 2 285.419 1.694 20 10 CDCDLO CN1CC[C@@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000712579588 754226332 /nfs/dbraw/zinc/22/63/32/754226332.db2.gz LEVQPFALOSCYDM-SNVBAGLBSA-N 1 2 285.185 1.948 20 10 CDCDLO CCOc1ccc(C[NH2+]Cc2nc(N(C)C)no2)c(O)c1 ZINC000789554437 754624437 /nfs/dbraw/zinc/62/44/37/754624437.db2.gz IBOXMBJHDBDWBH-UHFFFAOYSA-N 1 2 292.339 1.530 20 10 CDCDLO COc1c(O)c(C[N@@H+]2CC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000824572527 754848133 /nfs/dbraw/zinc/84/81/33/754848133.db2.gz ZBBNVYFWBGHRLG-SECBINFHSA-N 1 2 270.260 1.853 20 10 CDCDLO COc1c(O)c(C[N@H+]2CC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000824572527 754848142 /nfs/dbraw/zinc/84/81/42/754848142.db2.gz ZBBNVYFWBGHRLG-SECBINFHSA-N 1 2 270.260 1.853 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000053100921 755185776 /nfs/dbraw/zinc/18/57/76/755185776.db2.gz OQAZABCBVUIDEJ-UHFFFAOYSA-N 1 2 250.342 1.748 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000053100921 755185780 /nfs/dbraw/zinc/18/57/80/755185780.db2.gz OQAZABCBVUIDEJ-UHFFFAOYSA-N 1 2 250.342 1.748 20 10 CDCDLO CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCNC1=O ZINC000862354204 755470971 /nfs/dbraw/zinc/47/09/71/755470971.db2.gz ONPXHQTYHNXCPU-ZDUSSCGKSA-N 1 2 297.349 1.741 20 10 CDCDLO CC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCNC1=O ZINC000862354204 755470975 /nfs/dbraw/zinc/47/09/75/755470975.db2.gz ONPXHQTYHNXCPU-ZDUSSCGKSA-N 1 2 297.349 1.741 20 10 CDCDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000830554189 755930012 /nfs/dbraw/zinc/93/00/12/755930012.db2.gz HPGWLPJNPCLNRI-GHMZBOCLSA-N 1 2 287.319 1.251 20 10 CDCDLO CCOc1ccc(C[N@H+](C)Cc2cn(C)nn2)c(O)c1 ZINC000827305532 756466767 /nfs/dbraw/zinc/46/67/67/756466767.db2.gz VHANOFWIOHOPOJ-UHFFFAOYSA-N 1 2 276.340 1.551 20 10 CDCDLO CCOc1ccc(C[N@@H+](C)Cc2cn(C)nn2)c(O)c1 ZINC000827305532 756466777 /nfs/dbraw/zinc/46/67/77/756466777.db2.gz VHANOFWIOHOPOJ-UHFFFAOYSA-N 1 2 276.340 1.551 20 10 CDCDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000826063938 757275538 /nfs/dbraw/zinc/27/55/38/757275538.db2.gz ASNYAIAMPUIXID-SNVBAGLBSA-N 1 2 299.168 1.604 20 10 CDCDLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000826063938 757275566 /nfs/dbraw/zinc/27/55/66/757275566.db2.gz ASNYAIAMPUIXID-SNVBAGLBSA-N 1 2 299.168 1.604 20 10 CDCDLO Cn1ncnc1C[NH2+]Cc1cccc(Br)c1O ZINC000389319921 758649489 /nfs/dbraw/zinc/64/94/89/758649489.db2.gz FDYFCVJNVRXARR-UHFFFAOYSA-N 1 2 297.156 1.573 20 10 CDCDLO Cn1cc[nH+]c1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179690725 915926854 /nfs/dbraw/zinc/92/68/54/915926854.db2.gz XHLXHLLVANXJLM-HWKANZROSA-N 1 2 287.319 1.203 20 10 CDCDLO NC(=O)C1C[NH+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237126359 917327273 /nfs/dbraw/zinc/32/72/73/917327273.db2.gz JMOFTZKRVUVDRM-UHFFFAOYSA-N 1 2 258.680 1.102 20 10 CDCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001137832655 936418103 /nfs/dbraw/zinc/41/81/03/936418103.db2.gz CJCUXKXOFCGRHR-CQSZACIVSA-N 1 2 267.300 1.523 20 10 CDCDLO Oc1ccc(C[NH+]2CCN(c3cccnn3)CC2)cc1O ZINC001203882894 925212279 /nfs/dbraw/zinc/21/22/79/925212279.db2.gz WMGMBFZYBQGKBP-UHFFFAOYSA-N 1 2 286.335 1.210 20 10 CDCDLO CN(C)C(=O)C1C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001142524891 937027710 /nfs/dbraw/zinc/02/77/10/937027710.db2.gz OQGQSJAEJAMZQR-UHFFFAOYSA-N 1 2 270.279 1.190 20 10 CDCDLO CCc1[nH]c(CNC(=O)Cc2ccc(O)c(O)c2)c[nH+]1 ZINC001156543498 928747228 /nfs/dbraw/zinc/74/72/28/928747228.db2.gz MQIVIYVZXOYWFJ-UHFFFAOYSA-N 1 2 275.308 1.242 20 10 CDCDLO CCc1[nH]cc(CNC(=O)Cc2ccc(O)c(O)c2)[nH+]1 ZINC001156543498 928747237 /nfs/dbraw/zinc/74/72/37/928747237.db2.gz MQIVIYVZXOYWFJ-UHFFFAOYSA-N 1 2 275.308 1.242 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000862757224 929465797 /nfs/dbraw/zinc/46/57/97/929465797.db2.gz LTUYCCDORDYDCP-LBPRGKRZSA-N 1 2 285.347 1.776 20 10 CDCDLO C[C@@]1(CO)CC(F)(F)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144504657 931865319 /nfs/dbraw/zinc/86/53/19/931865319.db2.gz YROQNKQYSKXKRB-LBPRGKRZSA-N 1 2 289.278 1.395 20 10 CDCDLO C[C@@]1(CO)CC(F)(F)C[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144504657 931865324 /nfs/dbraw/zinc/86/53/24/931865324.db2.gz YROQNKQYSKXKRB-LBPRGKRZSA-N 1 2 289.278 1.395 20 10 CDCDLO C[C@]1(CO)CC(F)(F)C[N@@H+]1Cc1ccccc1O ZINC001203549882 939692817 /nfs/dbraw/zinc/69/28/17/939692817.db2.gz AZKLMATUDVGMTG-GFCCVEGCSA-N 1 2 257.280 1.984 20 10 CDCDLO C[C@]1(CO)CC(F)(F)C[N@H+]1Cc1ccccc1O ZINC001203549882 939692818 /nfs/dbraw/zinc/69/28/18/939692818.db2.gz AZKLMATUDVGMTG-GFCCVEGCSA-N 1 2 257.280 1.984 20 10 CDCDLO Oc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)cc1O ZINC001203878454 939711132 /nfs/dbraw/zinc/71/11/32/939711132.db2.gz URUZXIIRILURDG-UHFFFAOYSA-N 1 2 299.374 1.811 20 10 CDCDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203880292 939711175 /nfs/dbraw/zinc/71/11/75/939711175.db2.gz NKOGCERDNQHBHF-ZDUSSCGKSA-N 1 2 267.325 1.727 20 10 CDCDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccc(O)c(O)c1 ZINC001203880292 939711176 /nfs/dbraw/zinc/71/11/76/939711176.db2.gz NKOGCERDNQHBHF-ZDUSSCGKSA-N 1 2 267.325 1.727 20 10 CDCDLO Oc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1O ZINC001203880742 939711590 /nfs/dbraw/zinc/71/15/90/939711590.db2.gz YHYSUOLSSZFZKA-UHFFFAOYSA-N 1 2 279.336 1.479 20 10 CDCDLO Oc1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cc1O ZINC001203880742 939711592 /nfs/dbraw/zinc/71/15/92/939711592.db2.gz YHYSUOLSSZFZKA-UHFFFAOYSA-N 1 2 279.336 1.479 20 10 CDCDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204280651 939752377 /nfs/dbraw/zinc/75/23/77/939752377.db2.gz AJKVGDNKYDLCFS-LBPRGKRZSA-N 1 2 295.335 1.252 20 10 CDCDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1ccc(O)cc1O ZINC001204280651 939752379 /nfs/dbraw/zinc/75/23/79/939752379.db2.gz AJKVGDNKYDLCFS-LBPRGKRZSA-N 1 2 295.335 1.252 20 10 CDCDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C(C)C)cc(O)c1O ZINC001204346768 939759585 /nfs/dbraw/zinc/75/95/85/939759585.db2.gz YZQVGCBQTBZUBR-GFCCVEGCSA-N 1 2 281.352 1.963 20 10 CDCDLO COc1cc(C[N@H+]2CCOC[C@@H]2C(C)C)cc(O)c1O ZINC001204346768 939759587 /nfs/dbraw/zinc/75/95/87/939759587.db2.gz YZQVGCBQTBZUBR-GFCCVEGCSA-N 1 2 281.352 1.963 20 10 CDCDLO [NH3+][C@@H](CO)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217700040 941005732 /nfs/dbraw/zinc/00/57/32/941005732.db2.gz ZLUSLNVFBLSQIP-LBPRGKRZSA-N 1 2 270.292 1.519 20 10 CDCDLO C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]21 ZINC001231454286 942898197 /nfs/dbraw/zinc/89/81/97/942898197.db2.gz PKKYFEHSPRLIAD-OCCSQVGLSA-N 1 2 290.363 1.616 20 10 CDCDLO C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]21 ZINC001231454286 942898198 /nfs/dbraw/zinc/89/81/98/942898198.db2.gz PKKYFEHSPRLIAD-OCCSQVGLSA-N 1 2 290.363 1.616 20 10 CDCDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(O)cc1O ZINC001231634998 942951880 /nfs/dbraw/zinc/95/18/80/942951880.db2.gz STPBUVQVBWUNSZ-NSHDSACASA-N 1 2 295.335 1.634 20 10 CDCDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(O)cc1O ZINC001231634998 942951884 /nfs/dbraw/zinc/95/18/84/942951884.db2.gz STPBUVQVBWUNSZ-NSHDSACASA-N 1 2 295.335 1.634 20 10 CDCDLO C[N@H+](C1CN(Cc2ccc(F)c(F)c2O)C1)[C@H]1CCOC1 ZINC001233078189 943486806 /nfs/dbraw/zinc/48/68/06/943486806.db2.gz KWWYJSZNPVJHRC-NSHDSACASA-N 1 2 298.333 1.575 20 10 CDCDLO C[N@@H+](C1CN(Cc2ccc(F)c(F)c2O)C1)[C@H]1CCOC1 ZINC001233078189 943486808 /nfs/dbraw/zinc/48/68/08/943486808.db2.gz KWWYJSZNPVJHRC-NSHDSACASA-N 1 2 298.333 1.575 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)C[C@@H]2C)cc1OC ZINC001236750642 944557384 /nfs/dbraw/zinc/55/73/84/944557384.db2.gz VOYLQOLVUDDLIE-JTQLQIEISA-N 1 2 279.336 1.963 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCC(=O)C[C@@H]2C)cc1OC ZINC001236750642 944557389 /nfs/dbraw/zinc/55/73/89/944557389.db2.gz VOYLQOLVUDDLIE-JTQLQIEISA-N 1 2 279.336 1.963 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)C[C@H]1O ZINC001236792063 944569948 /nfs/dbraw/zinc/56/99/48/944569948.db2.gz AYRNGDOKDACGBJ-QPUJVOFHSA-N 1 2 292.162 1.484 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C[C@H]1O ZINC001236792063 944569955 /nfs/dbraw/zinc/56/99/55/944569955.db2.gz AYRNGDOKDACGBJ-QPUJVOFHSA-N 1 2 292.162 1.484 20 10 CDCDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(O)c1Cl ZINC001236806555 944573447 /nfs/dbraw/zinc/57/34/47/944573447.db2.gz BSGHRNUJTAIOPQ-LLVKDONJSA-N 1 2 298.770 1.765 20 10 CDCDLO COc1ccc(C[N@H+]2CC[C@@H](NC(C)=O)C2)c(O)c1Cl ZINC001236806555 944573454 /nfs/dbraw/zinc/57/34/54/944573454.db2.gz BSGHRNUJTAIOPQ-LLVKDONJSA-N 1 2 298.770 1.765 20 10 CDCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCc2nncn2CC1 ZINC001237935253 945010602 /nfs/dbraw/zinc/01/06/02/945010602.db2.gz TZZPEDUVCBNAIK-UHFFFAOYSA-N 1 2 296.733 1.835 20 10 CDCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCc2nncn2CC1 ZINC001237935253 945010606 /nfs/dbraw/zinc/01/06/06/945010606.db2.gz TZZPEDUVCBNAIK-UHFFFAOYSA-N 1 2 296.733 1.835 20 10 CDCDLO Cc1cc(F)cc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1O ZINC001238067402 945047337 /nfs/dbraw/zinc/04/73/37/945047337.db2.gz OVZFJUCBCLCAEK-JTQLQIEISA-N 1 2 266.316 1.502 20 10 CDCDLO Cc1cc(F)cc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c1O ZINC001238067402 945047345 /nfs/dbraw/zinc/04/73/45/945047345.db2.gz OVZFJUCBCLCAEK-JTQLQIEISA-N 1 2 266.316 1.502 20 10 CDCDLO O=C(CN[C@@H]1CC2CC[NH+](CC2)C1)c1ccc(O)c(O)c1 ZINC001254849538 947626359 /nfs/dbraw/zinc/62/63/59/947626359.db2.gz VCTULOQMMQDHAL-CYBMUJFWSA-N 1 2 290.363 1.354 20 10 CDCDLO C[C@@H](C(=O)NCc1cc(O)ccc1O)n1cc[nH+]c1 ZINC001303223164 956067090 /nfs/dbraw/zinc/06/70/90/956067090.db2.gz CSUJBJRCSIRBFQ-VIFPVBQESA-N 1 2 261.281 1.172 20 10 CDCDLO Nc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001342698336 963799909 /nfs/dbraw/zinc/79/99/09/963799909.db2.gz DBMDNCKLHRNAPE-GFCCVEGCSA-N 1 2 270.336 1.344 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CCN(CC(C)C)C(=O)C2)c1 ZINC000190099371 358052917 /nfs/dbraw/zinc/05/29/17/358052917.db2.gz GGVRXMLVVWBQQJ-UHFFFAOYSA-N 1 2 292.379 1.701 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CCN(CC(C)C)C(=O)C2)c1 ZINC000190099371 358052919 /nfs/dbraw/zinc/05/29/19/358052919.db2.gz GGVRXMLVVWBQQJ-UHFFFAOYSA-N 1 2 292.379 1.701 20 10 CDCDLO Cc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)c(O)c1O ZINC000271272328 364979941 /nfs/dbraw/zinc/97/99/41/364979941.db2.gz MEAQLBRLUDGQLB-UHFFFAOYSA-N 1 2 275.308 1.412 20 10 CDCDLO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(Cl)c2O)[C@H](C)C1 ZINC000281129859 367593769 /nfs/dbraw/zinc/59/37/69/367593769.db2.gz YEKPLKSSWVHKDE-VXGBXAGGSA-N 1 2 298.814 1.933 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]CCN1CCCOCC1 ZINC000289178049 369529259 /nfs/dbraw/zinc/52/92/59/369529259.db2.gz AETANFGBGQOZLI-UHFFFAOYSA-N 1 2 284.787 1.858 20 10 CDCDLO CCCOc1ccc(C[NH+]2CC(NC(C)=O)C2)c(O)c1 ZINC000297497896 371996835 /nfs/dbraw/zinc/99/68/35/371996835.db2.gz UTPKEFHYSOJCAJ-UHFFFAOYSA-N 1 2 278.352 1.501 20 10 CDCDLO CN(C)C(=O)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000124517729 390914988 /nfs/dbraw/zinc/91/49/88/390914988.db2.gz VXLHJUOYSUKPHY-UHFFFAOYSA-N 1 2 256.733 1.566 20 10 CDCDLO CN(C)C(=O)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000124517729 390914990 /nfs/dbraw/zinc/91/49/90/390914990.db2.gz VXLHJUOYSUKPHY-UHFFFAOYSA-N 1 2 256.733 1.566 20 10 CDCDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000367670554 391331445 /nfs/dbraw/zinc/33/14/45/391331445.db2.gz NMASFZUXNBSDEH-MRVPVSSYSA-N 1 2 286.734 1.895 20 10 CDCDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000367670554 391331448 /nfs/dbraw/zinc/33/14/48/391331448.db2.gz NMASFZUXNBSDEH-MRVPVSSYSA-N 1 2 286.734 1.895 20 10 CDCDLO OCC(F)(F)C[NH2+]Cc1cccc(Cl)c1O ZINC000185661267 262064910 /nfs/dbraw/zinc/06/49/10/262064910.db2.gz SBDSUNFPYNKCQY-UHFFFAOYSA-N 1 2 251.660 1.763 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1F ZINC000378344823 329046751 /nfs/dbraw/zinc/04/67/51/329046751.db2.gz CYFBKMTYYHXRQY-GFCCVEGCSA-N 1 2 293.342 1.528 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1F ZINC000378344823 329046752 /nfs/dbraw/zinc/04/67/52/329046752.db2.gz CYFBKMTYYHXRQY-GFCCVEGCSA-N 1 2 293.342 1.528 20 10 CDCDLO CC(C)[C@@H](CNC(=O)C1=CC(=O)CS1)[NH+]1CCOCC1 ZINC000731867446 575068474 /nfs/dbraw/zinc/06/84/74/575068474.db2.gz KRDYRXIGNRFAOC-GFCCVEGCSA-N 1 2 298.408 1.540 20 10 CDCDLO COC(=O)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)(C)C ZINC000768518466 576292311 /nfs/dbraw/zinc/29/23/11/576292311.db2.gz FWECGKSIFNZFTH-CYBMUJFWSA-N 1 2 295.335 1.798 20 10 CDCDLO CN(C)c1ccc(C[N@H+](Cc2nnnn2C)C2CC2)cc1 ZINC000750283501 576983805 /nfs/dbraw/zinc/98/38/05/576983805.db2.gz DPBPWKNWMBZJNP-UHFFFAOYSA-N 1 2 286.383 1.441 20 10 CDCDLO CN(C)c1ccc(C[N@@H+](Cc2nnnn2C)C2CC2)cc1 ZINC000750283501 576983807 /nfs/dbraw/zinc/98/38/07/576983807.db2.gz DPBPWKNWMBZJNP-UHFFFAOYSA-N 1 2 286.383 1.441 20 10 CDCDLO CC(C)(O)C1C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000894977861 619175819 /nfs/dbraw/zinc/17/58/19/619175819.db2.gz YJQHCNPBQIWDCZ-UHFFFAOYSA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(O)cc1O ZINC000910945455 629126534 /nfs/dbraw/zinc/12/65/34/629126534.db2.gz WRRYIDPSEJHZDL-VIFPVBQESA-N 1 2 275.308 1.316 20 10 CDCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(O)cc1O ZINC000910945455 629126536 /nfs/dbraw/zinc/12/65/36/629126536.db2.gz WRRYIDPSEJHZDL-VIFPVBQESA-N 1 2 275.308 1.316 20 10 CDCDLO COC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001605129766 1163460846 /nfs/dbraw/zinc/46/08/46/1163460846.db2.gz VHWRUXDEOORLQI-IUCAKERBSA-N 1 2 277.328 1.258 20 10 CDCDLO CN(C)C(=O)C1C[NH+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237621042 1167395586 /nfs/dbraw/zinc/39/55/86/1167395586.db2.gz SCAKHNOUIXQNCS-UHFFFAOYSA-N 1 2 286.734 1.705 20 10 CDCDLO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589959848 1173211068 /nfs/dbraw/zinc/21/10/68/1173211068.db2.gz VZLVIDWYGJQTOW-CABZTGNLSA-N 1 2 291.355 1.240 20 10 CDCDLO CC[C@H]([NH2+]C/C=C/CO)c1cccc(-c2nn[nH]n2)c1O ZINC001590467356 1173418460 /nfs/dbraw/zinc/41/84/60/1173418460.db2.gz PSVBLJFCMNRJTO-PCAWENJQSA-N 1 2 289.339 1.162 20 10 CDCDLO C[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603495181 1175559651 /nfs/dbraw/zinc/55/96/51/1175559651.db2.gz IJKJFOQDLSQTMI-UWVGGRQHSA-N 1 2 291.355 1.241 20 10 CDCDLO CC[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cccc(Cl)c1O ZINC000866420601 768839199 /nfs/dbraw/zinc/83/91/99/768839199.db2.gz QHQXPXMHBQELLV-TUAOUCFPSA-N 1 2 271.744 1.846 20 10 CDCDLO CN(C)c1ccc(C[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000850383997 768843191 /nfs/dbraw/zinc/84/31/91/768843191.db2.gz HBLZWIOUKRKJLQ-UHFFFAOYSA-N 1 2 290.392 1.598 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCOCC13CC3)OCO2 ZINC000802658465 769860940 /nfs/dbraw/zinc/86/09/40/769860940.db2.gz CNSZMGCKQMVNRS-UHFFFAOYSA-N 1 2 263.293 1.486 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCOCC13CC3)OCO2 ZINC000802658465 769860941 /nfs/dbraw/zinc/86/09/41/769860941.db2.gz CNSZMGCKQMVNRS-UHFFFAOYSA-N 1 2 263.293 1.486 20 10 CDCDLO CCOc1ccc(C[NH+]2CC(N3CC[C@@H](O)C3)C2)c(O)c1 ZINC000846068457 771795181 /nfs/dbraw/zinc/79/51/81/771795181.db2.gz SNKDKMAOOSAIIO-CQSZACIVSA-N 1 2 292.379 1.042 20 10 CDCDLO C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843051459 772810034 /nfs/dbraw/zinc/81/00/34/772810034.db2.gz INLUSFRBYIGJGY-CQSZACIVSA-N 1 2 276.428 1.217 20 10 CDCDLO C[N@@H+]1CCN(Cc2c(O)ccc(Cl)c2F)[C@H](CO)C1 ZINC000877644940 773206413 /nfs/dbraw/zinc/20/64/13/773206413.db2.gz WNEMEOCZDXZZLS-VIFPVBQESA-N 1 2 288.750 1.293 20 10 CDCDLO C[N@H+]1CCN(Cc2c(O)ccc(Cl)c2F)[C@H](CO)C1 ZINC000877644940 773206441 /nfs/dbraw/zinc/20/64/41/773206441.db2.gz WNEMEOCZDXZZLS-VIFPVBQESA-N 1 2 288.750 1.293 20 10 CDCDLO C[NH+](C)Cc1cnc(C=C2SC(=S)NC2=O)s1 ZINC000794689424 773397697 /nfs/dbraw/zinc/39/76/97/773397697.db2.gz BOROLFRSLOIFSZ-XVNBXDOJSA-N 1 2 285.419 1.694 20 10 CDCDLO CCC[NH2+]CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001605333852 1167888441 /nfs/dbraw/zinc/88/84/41/1167888441.db2.gz AEWKFLGBZDAGAO-SNVBAGLBSA-N 1 2 266.341 1.741 20 10 CDCDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1c(O)cccc1F ZINC001137835644 936418662 /nfs/dbraw/zinc/41/86/62/936418662.db2.gz MELGAEYSABKVGU-FOSCPWQOSA-N 1 2 281.327 1.910 20 10 CDCDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1c(O)cccc1F ZINC001137835644 936418666 /nfs/dbraw/zinc/41/86/66/936418666.db2.gz MELGAEYSABKVGU-FOSCPWQOSA-N 1 2 281.327 1.910 20 10 CDCDLO COc1cc(CN2CCc3c([nH+]cn3C)C2)cc(O)c1O ZINC001204346727 917972525 /nfs/dbraw/zinc/97/25/25/917972525.db2.gz XEPLRBVYIGFVTD-UHFFFAOYSA-N 1 2 289.335 1.398 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC001138123679 936473974 /nfs/dbraw/zinc/47/39/74/936473974.db2.gz GPMNMGKQNVLEBD-ZLKJLUDKSA-N 1 2 281.327 1.503 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC001138123679 936473976 /nfs/dbraw/zinc/47/39/76/936473976.db2.gz GPMNMGKQNVLEBD-ZLKJLUDKSA-N 1 2 281.327 1.503 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(OC)c1 ZINC001141028139 936793949 /nfs/dbraw/zinc/79/39/49/936793949.db2.gz CIPRHWHTDUHHMK-ONGXEEELSA-N 1 2 265.309 1.383 20 10 CDCDLO COc1cc(O)c(C[N@H+]2C[C@@H]3C[C@H]2CO3)c(OC)c1 ZINC001141028139 936793951 /nfs/dbraw/zinc/79/39/51/936793951.db2.gz CIPRHWHTDUHHMK-ONGXEEELSA-N 1 2 265.309 1.383 20 10 CDCDLO CN1CCOc2cc(C[NH+]3CCN(C4CC4)CC3)ccc21 ZINC001141139756 936818814 /nfs/dbraw/zinc/81/88/14/936818814.db2.gz AVZDSYIORFUUEV-UHFFFAOYSA-N 1 2 287.407 1.795 20 10 CDCDLO C[C@H]([NH3+])C[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000863654028 929584942 /nfs/dbraw/zinc/58/49/42/929584942.db2.gz SFZVTHNPKBMMFJ-ZETCQYMHSA-N 1 2 273.720 1.733 20 10 CDCDLO C[C@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000863654028 929584950 /nfs/dbraw/zinc/58/49/50/929584950.db2.gz SFZVTHNPKBMMFJ-ZETCQYMHSA-N 1 2 273.720 1.733 20 10 CDCDLO O=C1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CN1C1CC1 ZINC000883027408 930128411 /nfs/dbraw/zinc/12/84/11/930128411.db2.gz AHCNWBLKYFQQPA-SNVBAGLBSA-N 1 2 282.290 1.523 20 10 CDCDLO Cc1ncc2n1CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144504610 931865382 /nfs/dbraw/zinc/86/53/82/931865382.db2.gz XBGCXPUHCWDLOL-UHFFFAOYSA-N 1 2 275.308 1.324 20 10 CDCDLO Cc1ncc2n1CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144504610 931865385 /nfs/dbraw/zinc/86/53/85/931865385.db2.gz XBGCXPUHCWDLOL-UHFFFAOYSA-N 1 2 275.308 1.324 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CC(F)(F)C1 ZINC001144504065 931865591 /nfs/dbraw/zinc/86/55/91/931865591.db2.gz KNAPTLCLDIFLMB-QMMMGPOBSA-N 1 2 289.278 1.253 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CC(F)(F)C1 ZINC001144504065 931865599 /nfs/dbraw/zinc/86/55/99/931865599.db2.gz KNAPTLCLDIFLMB-QMMMGPOBSA-N 1 2 289.278 1.253 20 10 CDCDLO CC(=O)N1CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@@H]1C ZINC001203882037 939711444 /nfs/dbraw/zinc/71/14/44/939711444.db2.gz ZZKSPLXUMPUUSU-JTQLQIEISA-N 1 2 264.325 1.150 20 10 CDCDLO CC(=O)N1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@@H]1C ZINC001203882037 939711447 /nfs/dbraw/zinc/71/14/47/939711447.db2.gz ZZKSPLXUMPUUSU-JTQLQIEISA-N 1 2 264.325 1.150 20 10 CDCDLO [NH3+][C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1O ZINC001205346665 939883842 /nfs/dbraw/zinc/88/38/42/939883842.db2.gz CCLGSHOYADJLJM-NXEZZACHSA-N 1 2 277.151 1.203 20 10 CDCDLO O=C1NCC[C@@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231909412 943052783 /nfs/dbraw/zinc/05/27/83/943052783.db2.gz CLXYJWDSPSTUSU-AWEZNQCLSA-N 1 2 280.755 1.758 20 10 CDCDLO O=C1NCC[C@@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231909412 943052784 /nfs/dbraw/zinc/05/27/84/943052784.db2.gz CLXYJWDSPSTUSU-AWEZNQCLSA-N 1 2 280.755 1.758 20 10 CDCDLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233078775 943486285 /nfs/dbraw/zinc/48/62/85/943486285.db2.gz JORBUMODXZQSGT-LLVKDONJSA-N 1 2 284.306 1.723 20 10 CDCDLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233078775 943486291 /nfs/dbraw/zinc/48/62/91/943486291.db2.gz JORBUMODXZQSGT-LLVKDONJSA-N 1 2 284.306 1.723 20 10 CDCDLO NC(=O)C1C[NH+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418297 943581334 /nfs/dbraw/zinc/58/13/34/943581334.db2.gz ARJQPXDQAFWTHX-UHFFFAOYSA-N 1 2 274.242 1.328 20 10 CDCDLO [NH3+]C[C@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001236246567 944436955 /nfs/dbraw/zinc/43/69/55/944436955.db2.gz HCWDCHQQUYXPDX-LLVKDONJSA-N 1 2 250.298 1.014 20 10 CDCDLO [NH3+]C[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001236246567 944436962 /nfs/dbraw/zinc/43/69/62/944436962.db2.gz HCWDCHQQUYXPDX-LLVKDONJSA-N 1 2 250.298 1.014 20 10 CDCDLO CN(C)c1n[nH]c(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC001308558884 956547836 /nfs/dbraw/zinc/54/78/36/956547836.db2.gz ZSJCZVQECJNQFO-UHFFFAOYSA-N 1 2 273.340 1.095 20 10 CDCDLO Oc1c(Br)cc(Cl)cc1CNC1C[NH2+]C1 ZINC001574440201 1170983294 /nfs/dbraw/zinc/98/32/94/1170983294.db2.gz OKKFVYQSEZJJDY-UHFFFAOYSA-N 1 2 291.576 1.870 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOc2ccncc21 ZINC000492857260 366183978 /nfs/dbraw/zinc/18/39/78/366183978.db2.gz CYUJLNVFSNGMNV-OWOJBTEDSA-N 1 2 256.265 1.244 20 10 CDCDLO Oc1c(Cl)cccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000294835970 199205843 /nfs/dbraw/zinc/20/58/43/199205843.db2.gz QMLLZKMZZCDSMX-SNVBAGLBSA-N 1 2 257.717 1.239 20 10 CDCDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000294835970 199205844 /nfs/dbraw/zinc/20/58/44/199205844.db2.gz QMLLZKMZZCDSMX-SNVBAGLBSA-N 1 2 257.717 1.239 20 10 CDCDLO C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)N(C)C ZINC000276898507 299345027 /nfs/dbraw/zinc/34/50/27/299345027.db2.gz MZMMILWXDGWOOZ-IUCAKERBSA-N 1 2 281.312 1.428 20 10 CDCDLO CNC(=O)N1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000271888958 365004449 /nfs/dbraw/zinc/00/44/49/365004449.db2.gz WSBCXGHHGXXIQN-UHFFFAOYSA-N 1 2 297.786 1.811 20 10 CDCDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(N(C)C)cc1 ZINC000090969764 260264322 /nfs/dbraw/zinc/26/43/22/260264322.db2.gz MKHYGWNAFVDPAH-NSHDSACASA-N 1 2 259.357 1.732 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+](C)CCS(C)(=O)=O)c1 ZINC000155193270 261099394 /nfs/dbraw/zinc/09/93/94/261099394.db2.gz ZSRDCIRIOZVBFG-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+](C)CCS(C)(=O)=O)c1 ZINC000155193270 261099395 /nfs/dbraw/zinc/09/93/95/261099395.db2.gz ZSRDCIRIOZVBFG-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO O=C1OC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC000378344837 329046813 /nfs/dbraw/zinc/04/68/13/329046813.db2.gz DAMYFQIKNKKCHG-NSHDSACASA-N 1 2 282.727 1.682 20 10 CDCDLO O=C1OC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC000378344837 329046815 /nfs/dbraw/zinc/04/68/15/329046815.db2.gz DAMYFQIKNKKCHG-NSHDSACASA-N 1 2 282.727 1.682 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000773888029 575843250 /nfs/dbraw/zinc/84/32/50/575843250.db2.gz KPISSZIQOGXDCR-UHFFFAOYSA-N 1 2 271.368 1.819 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000773888029 575843252 /nfs/dbraw/zinc/84/32/52/575843252.db2.gz KPISSZIQOGXDCR-UHFFFAOYSA-N 1 2 271.368 1.819 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891923502 617778836 /nfs/dbraw/zinc/77/88/36/617778836.db2.gz NRVNJGNWEBUGTL-LLVKDONJSA-N 1 2 294.351 1.120 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891923502 617778845 /nfs/dbraw/zinc/77/88/45/617778845.db2.gz NRVNJGNWEBUGTL-LLVKDONJSA-N 1 2 294.351 1.120 20 10 CDCDLO Oc1c(F)cc(F)cc1CN1CC[NH+](C2CC2)CC1 ZINC000893924332 618181644 /nfs/dbraw/zinc/18/16/44/618181644.db2.gz QPCPIXCOEBMPNF-UHFFFAOYSA-N 1 2 268.307 1.950 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH2+]CCN1CCCOCC1 ZINC000894777470 619053357 /nfs/dbraw/zinc/05/33/57/619053357.db2.gz PQPTXPWCECBSIQ-UHFFFAOYSA-N 1 2 286.322 1.482 20 10 CDCDLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000895316617 619547267 /nfs/dbraw/zinc/54/72/67/619547267.db2.gz QAFFHHBIESLBOB-NSHDSACASA-N 1 2 268.744 1.660 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895780878 619845645 /nfs/dbraw/zinc/84/56/45/619845645.db2.gz YJLYGNBKDCWZDG-YDEJPDAXSA-N 1 2 269.291 1.873 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895780878 619845646 /nfs/dbraw/zinc/84/56/46/619845646.db2.gz YJLYGNBKDCWZDG-YDEJPDAXSA-N 1 2 269.291 1.873 20 10 CDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1c[nH]c[nH+]1 ZINC000900895846 623617137 /nfs/dbraw/zinc/61/71/37/623617137.db2.gz SIOVVGICTKFMOE-UHFFFAOYSA-N 1 2 286.335 1.444 20 10 CDCDLO C[N@H+](Cc1cn(C2CC2)nn1)Cc1ccccc1O ZINC000906275662 627164490 /nfs/dbraw/zinc/16/44/90/627164490.db2.gz CHSJZPZDSOXJKP-UHFFFAOYSA-N 1 2 258.325 1.951 20 10 CDCDLO C[N@@H+](Cc1cn(C2CC2)nn1)Cc1ccccc1O ZINC000906275662 627164492 /nfs/dbraw/zinc/16/44/92/627164492.db2.gz CHSJZPZDSOXJKP-UHFFFAOYSA-N 1 2 258.325 1.951 20 10 CDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170091309 1162059963 /nfs/dbraw/zinc/05/99/63/1162059963.db2.gz FRESPZIXLHOIDA-WXHSDQCUSA-N 1 2 293.363 1.960 20 10 CDCDLO C[C@@H]([NH2+]CCCF)c1cccc(-c2nn[nH]n2)c1O ZINC001589960876 1173214704 /nfs/dbraw/zinc/21/47/04/1173214704.db2.gz JOHBRNYXJBLUSE-MRVPVSSYSA-N 1 2 265.292 1.583 20 10 CDCDLO C[C@H](CCO)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603495183 1175558496 /nfs/dbraw/zinc/55/84/96/1175558496.db2.gz IJKJFOQDLSQTMI-ZJUUUORDSA-N 1 2 291.355 1.241 20 10 CDCDLO OC[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@H]1CCCOC1 ZINC000840964633 775430687 /nfs/dbraw/zinc/43/06/87/775430687.db2.gz ZLOMOSVIHLIYSI-AAEUAGOBSA-N 1 2 285.771 1.923 20 10 CDCDLO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(F)cc(F)c1O ZINC000817586029 775592984 /nfs/dbraw/zinc/59/29/84/775592984.db2.gz KZLZJKVKJLJMEO-MRVPVSSYSA-N 1 2 284.306 1.977 20 10 CDCDLO COc1cccc(O)c1C[NH2+][C@H](C)c1nc(C)no1 ZINC000792176561 775607834 /nfs/dbraw/zinc/60/78/34/775607834.db2.gz HREIDNLCSFBOJB-MRVPVSSYSA-N 1 2 263.297 1.943 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH2+]CCCN1CCOCC1 ZINC000708393330 776198739 /nfs/dbraw/zinc/19/87/39/776198739.db2.gz CZGLPOVSKCJWEU-UHFFFAOYSA-N 1 2 286.322 1.482 20 10 CDCDLO C[N@H+](C[C@H]1CCS(=O)(=O)C1)c1ccc(N)cc1 ZINC000863558658 776210652 /nfs/dbraw/zinc/21/06/52/776210652.db2.gz RSBVLVRPCHXVPV-SNVBAGLBSA-N 1 2 254.355 1.140 20 10 CDCDLO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)c1ccc(N)cc1 ZINC000863558658 776210660 /nfs/dbraw/zinc/21/06/60/776210660.db2.gz RSBVLVRPCHXVPV-SNVBAGLBSA-N 1 2 254.355 1.140 20 10 CDCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CC[C@H]1O ZINC000883150473 776847829 /nfs/dbraw/zinc/84/78/29/776847829.db2.gz JDIXTCBHRBOAPP-NXEZZACHSA-N 1 2 290.132 1.907 20 10 CDCDLO CCS(=O)(=O)CCC[NH2+]Cc1cccc(Cl)c1O ZINC000840973840 777795436 /nfs/dbraw/zinc/79/54/36/777795436.db2.gz WWBJAPUXKTZOBQ-UHFFFAOYSA-N 1 2 291.800 1.960 20 10 CDCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1O ZINC000847590049 778047465 /nfs/dbraw/zinc/04/74/65/778047465.db2.gz SVYUXZVVWNWUQA-JTQLQIEISA-N 1 2 259.309 1.610 20 10 CDCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1O ZINC000847590049 778047484 /nfs/dbraw/zinc/04/74/84/778047484.db2.gz SVYUXZVVWNWUQA-JTQLQIEISA-N 1 2 259.309 1.610 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1[nH]cc[nH+]1 ZINC000935946075 778290530 /nfs/dbraw/zinc/29/05/30/778290530.db2.gz WNNQSRSBXRRAAM-UHFFFAOYSA-N 1 2 294.351 1.850 20 10 CDCDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]21 ZINC000814173910 779119273 /nfs/dbraw/zinc/11/92/73/779119273.db2.gz SGETUPYRCCCWLP-IAZYJMLFSA-N 1 2 281.739 1.896 20 10 CDCDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@@H]21 ZINC000814173910 779119282 /nfs/dbraw/zinc/11/92/82/779119282.db2.gz SGETUPYRCCCWLP-IAZYJMLFSA-N 1 2 281.739 1.896 20 10 CDCDLO CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000703482444 779842376 /nfs/dbraw/zinc/84/23/76/779842376.db2.gz LOMWFYBXPKEODT-UHFFFAOYSA-N 1 2 284.306 1.771 20 10 CDCDLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2c(O)cccc2F)C1 ZINC001137831559 936416461 /nfs/dbraw/zinc/41/64/61/936416461.db2.gz DYYZMLRMKIOMJV-VHSXEESVSA-N 1 2 257.280 1.684 20 10 CDCDLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137831559 936416463 /nfs/dbraw/zinc/41/64/63/936416463.db2.gz DYYZMLRMKIOMJV-VHSXEESVSA-N 1 2 257.280 1.684 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CC(=O)NC[C@H]2C)c1O ZINC001203613607 919515532 /nfs/dbraw/zinc/51/55/32/919515532.db2.gz BTHJAPMJZPRKAW-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1cccc(C[N@H+]2CC(=O)NC[C@H]2C)c1O ZINC001203613607 919515546 /nfs/dbraw/zinc/51/55/46/919515546.db2.gz BTHJAPMJZPRKAW-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO CC[NH+]1CCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140580273 936727057 /nfs/dbraw/zinc/72/70/57/936727057.db2.gz VMOFMUQKSGNFOB-UHFFFAOYSA-N 1 2 256.296 1.808 20 10 CDCDLO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1c(O)cc(F)cc1F ZINC001140585281 936728361 /nfs/dbraw/zinc/72/83/61/936728361.db2.gz CWHNFEDDDWMYST-QWRGUYRKSA-N 1 2 268.307 1.949 20 10 CDCDLO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1c(O)cc(F)cc1F ZINC001140585281 936728362 /nfs/dbraw/zinc/72/83/62/936728362.db2.gz CWHNFEDDDWMYST-QWRGUYRKSA-N 1 2 268.307 1.949 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCOC[C@H]2C)c(OC)c1 ZINC001141031504 936795743 /nfs/dbraw/zinc/79/57/43/936795743.db2.gz HEECIVAKNNHLLE-SNVBAGLBSA-N 1 2 267.325 1.630 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCOC[C@H]2C)c(OC)c1 ZINC001141031504 936795745 /nfs/dbraw/zinc/79/57/45/936795745.db2.gz HEECIVAKNNHLLE-SNVBAGLBSA-N 1 2 267.325 1.630 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC3(CN(C)C3)C2)c(OC)c1 ZINC001141032691 936795938 /nfs/dbraw/zinc/79/59/38/936795938.db2.gz MVKCIHKGPFWCGZ-UHFFFAOYSA-N 1 2 278.352 1.157 20 10 CDCDLO Cc1[nH+]ccn1CCNC(=O)c1ccc(O)c(O)c1Cl ZINC001193236535 923556242 /nfs/dbraw/zinc/55/62/42/923556242.db2.gz GYOLDEPHUAIZIG-UHFFFAOYSA-N 1 2 295.726 1.686 20 10 CDCDLO O=C1C[N@H+](Cc2ccccc2O)CCN1C1CCCC1 ZINC001203556713 939693465 /nfs/dbraw/zinc/69/34/65/939693465.db2.gz UYFZUQGBEGAALG-UHFFFAOYSA-N 1 2 274.364 1.979 20 10 CDCDLO O=C1C[N@@H+](Cc2ccccc2O)CCN1C1CCCC1 ZINC001203556713 939693468 /nfs/dbraw/zinc/69/34/68/939693468.db2.gz UYFZUQGBEGAALG-UHFFFAOYSA-N 1 2 274.364 1.979 20 10 CDCDLO CN1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1=O ZINC001231911322 943051232 /nfs/dbraw/zinc/05/12/32/943051232.db2.gz JTMDBUCLXQCDRG-MNOVXSKESA-N 1 2 280.755 1.566 20 10 CDCDLO CN1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1=O ZINC001231911322 943051238 /nfs/dbraw/zinc/05/12/38/943051238.db2.gz JTMDBUCLXQCDRG-MNOVXSKESA-N 1 2 280.755 1.566 20 10 CDCDLO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(O)c(O)cc1O ZINC001233483814 943592322 /nfs/dbraw/zinc/59/23/22/943592322.db2.gz MYZCAYZKZVUMEB-BMIGLBTASA-N 1 2 293.319 1.331 20 10 CDCDLO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cc(O)c(O)cc1O ZINC001233483814 943592327 /nfs/dbraw/zinc/59/23/27/943592327.db2.gz MYZCAYZKZVUMEB-BMIGLBTASA-N 1 2 293.319 1.331 20 10 CDCDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238058638 945045218 /nfs/dbraw/zinc/04/52/18/945045218.db2.gz UJHYHSXMCHNPGH-GFCCVEGCSA-N 1 2 267.300 1.977 20 10 CDCDLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(F)cc(C)c1O ZINC001238058638 945045228 /nfs/dbraw/zinc/04/52/28/945045228.db2.gz UJHYHSXMCHNPGH-GFCCVEGCSA-N 1 2 267.300 1.977 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(C(=O)[O-])ccc1O ZINC001593353769 994983704 /nfs/dbraw/zinc/98/37/04/994983704.db2.gz DBKPRDPVMJEFAI-MWLCHTKSSA-N 1 2 264.325 1.493 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCN2CCOc3cccc1c32 ZINC000492813213 366182086 /nfs/dbraw/zinc/18/20/86/366182086.db2.gz OVZZRQVLBBNMOG-SNAWJCMRSA-N 1 2 296.330 1.669 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000180287283 357259346 /nfs/dbraw/zinc/25/93/46/357259346.db2.gz NLDFVCCXBPDDND-NSHDSACASA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000180287283 357259350 /nfs/dbraw/zinc/25/93/50/357259350.db2.gz NLDFVCCXBPDDND-NSHDSACASA-N 1 2 299.754 1.810 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3cc[nH]n3)CC2)cc1F ZINC000091923708 358532782 /nfs/dbraw/zinc/53/27/82/358532782.db2.gz FBXAPFJFPDFBME-UHFFFAOYSA-N 1 2 290.342 1.880 20 10 CDCDLO C[C@H](O)CNc1cc(NCc2ccccc2O)nc[nH+]1 ZINC000298245090 200370375 /nfs/dbraw/zinc/37/03/75/200370375.db2.gz MHVRTECQJZHELA-JTQLQIEISA-N 1 2 274.324 1.587 20 10 CDCDLO C[C@H](O)CNc1cc(NCc2ccccc2O)[nH+]cn1 ZINC000298245090 200370376 /nfs/dbraw/zinc/37/03/76/200370376.db2.gz MHVRTECQJZHELA-JTQLQIEISA-N 1 2 274.324 1.587 20 10 CDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493352918 375445342 /nfs/dbraw/zinc/44/53/42/375445342.db2.gz NSOFZHSBPWWHRU-AATRIKPKSA-N 1 2 298.346 1.915 20 10 CDCDLO CCS(=O)(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000224733985 390908228 /nfs/dbraw/zinc/90/82/28/390908228.db2.gz XFXRARLEQDKYAY-UHFFFAOYSA-N 1 2 277.773 1.570 20 10 CDCDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000377835525 329031055 /nfs/dbraw/zinc/03/10/55/329031055.db2.gz USDCMMOJSTWGNU-SNVBAGLBSA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1c(O)cccc1Cl ZINC000377835525 329031056 /nfs/dbraw/zinc/03/10/56/329031056.db2.gz USDCMMOJSTWGNU-SNVBAGLBSA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000188783122 329372093 /nfs/dbraw/zinc/37/20/93/329372093.db2.gz YEKGVQVSGXHVRO-OLZOCXBDSA-N 1 2 299.754 1.544 20 10 CDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000188783122 329372094 /nfs/dbraw/zinc/37/20/94/329372094.db2.gz YEKGVQVSGXHVRO-OLZOCXBDSA-N 1 2 299.754 1.544 20 10 CDCDLO CN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)c2cccnc21 ZINC000492767168 332412732 /nfs/dbraw/zinc/41/27/32/332412732.db2.gz NOFHXBZVBLDRBO-PLNGDYQASA-N 1 2 269.308 1.301 20 10 CDCDLO COc1c(O)c(C[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000278269937 521871086 /nfs/dbraw/zinc/87/10/86/521871086.db2.gz RKMNUCLNYBBFRM-UHFFFAOYSA-N 1 2 284.337 1.858 20 10 CDCDLO O=C1OCC[C@]12CCC[N@H+]2Cc1cc2c(cc1O)OCO2 ZINC000275147910 527098080 /nfs/dbraw/zinc/09/80/80/527098080.db2.gz RBUZOCJCKSHJAD-OAHLLOKOSA-N 1 2 291.303 1.402 20 10 CDCDLO O=C1OCC[C@]12CCC[N@@H+]2Cc1cc2c(cc1O)OCO2 ZINC000275147910 527098085 /nfs/dbraw/zinc/09/80/85/527098085.db2.gz RBUZOCJCKSHJAD-OAHLLOKOSA-N 1 2 291.303 1.402 20 10 CDCDLO O=C(NCc1ccccc1O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000748345386 576906270 /nfs/dbraw/zinc/90/62/70/576906270.db2.gz BFVIRNJENPYINO-UHFFFAOYSA-N 1 2 294.314 1.903 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775632830 617546391 /nfs/dbraw/zinc/54/63/91/617546391.db2.gz ABMQTJKTAJQOBO-MRVPVSSYSA-N 1 2 286.734 1.882 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775632830 617546395 /nfs/dbraw/zinc/54/63/95/617546395.db2.gz ABMQTJKTAJQOBO-MRVPVSSYSA-N 1 2 286.734 1.882 20 10 CDCDLO COc1ccc(CNc2cc(CO)cc[nH+]2)c(O)c1OC ZINC000894989082 619178733 /nfs/dbraw/zinc/17/87/33/619178733.db2.gz RFWRYEJFMIIPCF-UHFFFAOYSA-N 1 2 290.319 1.909 20 10 CDCDLO CC[C@@H]([NH2+][C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590467689 1173419489 /nfs/dbraw/zinc/41/94/89/1173419489.db2.gz SPZNRLRTMHBKIJ-BXKDBHETSA-N 1 2 289.339 1.402 20 10 CDCDLO C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001609774842 1165075722 /nfs/dbraw/zinc/07/57/22/1165075722.db2.gz CFBAXJIAAHVVHV-OUJBWJOFSA-N 1 2 278.352 1.739 20 10 CDCDLO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883139755 781006797 /nfs/dbraw/zinc/00/67/97/781006797.db2.gz YZQWTPLHODLAFG-XCBNKYQSSA-N 1 2 270.279 1.414 20 10 CDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCc1ccc(N)cc1 ZINC000841506458 781284302 /nfs/dbraw/zinc/28/43/02/781284302.db2.gz XHZTWEWICXVTFQ-GFCCVEGCSA-N 1 2 287.367 1.396 20 10 CDCDLO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(F)cc(F)c1O ZINC000834910203 781758253 /nfs/dbraw/zinc/75/82/53/781758253.db2.gz VUDBCQSYVHGBLM-CLAHSXSESA-N 1 2 284.306 1.990 20 10 CDCDLO Oc1c(F)ccc(F)c1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235043324 913986172 /nfs/dbraw/zinc/98/61/72/913986172.db2.gz FEMAJTNRYRCGOV-NWDGAFQWSA-N 1 2 254.280 1.607 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)CCO1 ZINC001140748986 898170755 /nfs/dbraw/zinc/17/07/55/898170755.db2.gz MWARBRCVLKTIRB-LBPRGKRZSA-N 1 2 295.335 1.170 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)CCO1 ZINC001140748986 898170762 /nfs/dbraw/zinc/17/07/62/898170762.db2.gz MWARBRCVLKTIRB-LBPRGKRZSA-N 1 2 295.335 1.170 20 10 CDCDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137837636 936418894 /nfs/dbraw/zinc/41/88/94/936418894.db2.gz PAIRFQSHZHARCB-LLVKDONJSA-N 1 2 252.289 1.371 20 10 CDCDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137837636 936418896 /nfs/dbraw/zinc/41/88/96/936418896.db2.gz PAIRFQSHZHARCB-LLVKDONJSA-N 1 2 252.289 1.371 20 10 CDCDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140056433 936675247 /nfs/dbraw/zinc/67/52/47/936675247.db2.gz WYBGDFYCDPEWMD-ZDUSSCGKSA-N 1 2 297.326 1.685 20 10 CDCDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC001140056433 936675248 /nfs/dbraw/zinc/67/52/48/936675248.db2.gz WYBGDFYCDPEWMD-ZDUSSCGKSA-N 1 2 297.326 1.685 20 10 CDCDLO COCCNC(=O)C1([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000839193848 936908686 /nfs/dbraw/zinc/90/86/86/936908686.db2.gz WQWUSRHIOUIRGB-UHFFFAOYSA-N 1 2 298.770 1.430 20 10 CDCDLO [NH3+]CC(F)(F)CNCc1cccc(Br)c1O ZINC000841059644 936973846 /nfs/dbraw/zinc/97/38/46/936973846.db2.gz JFIARBHGZCQETO-UHFFFAOYSA-N 1 2 295.127 1.838 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CCc3c[nH]nc3C2)c1O ZINC001119443962 925298386 /nfs/dbraw/zinc/29/83/86/925298386.db2.gz YMSHPVURHKUJFF-UHFFFAOYSA-N 1 2 273.336 1.991 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CCc3c[nH]nc3C2)c1O ZINC001119443962 925298394 /nfs/dbraw/zinc/29/83/94/925298394.db2.gz YMSHPVURHKUJFF-UHFFFAOYSA-N 1 2 273.336 1.991 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CCc3cn[nH]c3C2)c1O ZINC001119443962 925298400 /nfs/dbraw/zinc/29/84/00/925298400.db2.gz YMSHPVURHKUJFF-UHFFFAOYSA-N 1 2 273.336 1.991 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CCc3cn[nH]c3C2)c1O ZINC001119443962 925298408 /nfs/dbraw/zinc/29/84/08/925298408.db2.gz YMSHPVURHKUJFF-UHFFFAOYSA-N 1 2 273.336 1.991 20 10 CDCDLO COC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776174056 926298077 /nfs/dbraw/zinc/29/80/77/926298077.db2.gz FRHRHWQVIGHQFN-LBPRGKRZSA-N 1 2 277.723 1.672 20 10 CDCDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1=CC(=O)CS1 ZINC000857943380 928778698 /nfs/dbraw/zinc/77/86/98/928778698.db2.gz DPLPHTWOBGERBO-QMMMGPOBSA-N 1 2 263.322 1.395 20 10 CDCDLO C[N@H+](Cc1cccc(Cl)c1O)[C@]1(CO)CCOC1 ZINC000862426543 929414273 /nfs/dbraw/zinc/41/42/73/929414273.db2.gz JCURQNYKYKKBMM-ZDUSSCGKSA-N 1 2 271.744 1.629 20 10 CDCDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@]1(CO)CCOC1 ZINC000862426543 929414279 /nfs/dbraw/zinc/41/42/79/929414279.db2.gz JCURQNYKYKKBMM-ZDUSSCGKSA-N 1 2 271.744 1.629 20 10 CDCDLO CC(C)[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[N@@H+]1C ZINC000881438976 929847636 /nfs/dbraw/zinc/84/76/36/929847636.db2.gz AWFLUFMQOYEMPQ-LLVKDONJSA-N 1 2 296.342 1.649 20 10 CDCDLO CC(C)[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[N@H+]1C ZINC000881438976 929847645 /nfs/dbraw/zinc/84/76/45/929847645.db2.gz AWFLUFMQOYEMPQ-LLVKDONJSA-N 1 2 296.342 1.649 20 10 CDCDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCNC1=O ZINC000816521174 930287265 /nfs/dbraw/zinc/28/72/65/930287265.db2.gz JDSPHSZSTMRMIE-JTQLQIEISA-N 1 2 272.707 1.505 20 10 CDCDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCNC1=O ZINC000816521174 930287275 /nfs/dbraw/zinc/28/72/75/930287275.db2.gz JDSPHSZSTMRMIE-JTQLQIEISA-N 1 2 272.707 1.505 20 10 CDCDLO CC[NH2+]CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817951321 930645239 /nfs/dbraw/zinc/64/52/39/930645239.db2.gz DUUMTIRCMZQOKG-SECBINFHSA-N 1 2 253.302 1.561 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCc3ncncc3C1)OCO2 ZINC001119392524 937716380 /nfs/dbraw/zinc/71/63/80/937716380.db2.gz MUQIGBMGBFPCGN-UHFFFAOYSA-N 1 2 285.303 1.469 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCc3ncncc3C1)OCO2 ZINC001119392524 937716382 /nfs/dbraw/zinc/71/63/82/937716382.db2.gz MUQIGBMGBFPCGN-UHFFFAOYSA-N 1 2 285.303 1.469 20 10 CDCDLO CN(C)c1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000188888721 934448978 /nfs/dbraw/zinc/44/89/78/934448978.db2.gz KQFUOOYXOKYFBP-UHFFFAOYSA-N 1 2 272.352 1.725 20 10 CDCDLO CN(C)c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000188888721 934448982 /nfs/dbraw/zinc/44/89/82/934448982.db2.gz KQFUOOYXOKYFBP-UHFFFAOYSA-N 1 2 272.352 1.725 20 10 CDCDLO Oc1ccc(CNc2ccc(Cn3cncn3)c[nH+]2)cc1O ZINC001158997459 938686265 /nfs/dbraw/zinc/68/62/65/938686265.db2.gz IQYCCEMFWCHBJM-UHFFFAOYSA-N 1 2 297.318 1.745 20 10 CDCDLO C[C@@H](C(=O)NCc1ccc(O)cc1O)n1cc[nH+]c1 ZINC001162278755 938970411 /nfs/dbraw/zinc/97/04/11/938970411.db2.gz LGJGXUKANCEVJE-VIFPVBQESA-N 1 2 261.281 1.172 20 10 CDCDLO CCN1C[C@@H](C)[N@H+](Cc2ccc(N(C)C)cc2)CC1=O ZINC001203937541 939715067 /nfs/dbraw/zinc/71/50/67/939715067.db2.gz VMBWTFGAGPQOEU-CYBMUJFWSA-N 1 2 275.396 1.805 20 10 CDCDLO CCN1C[C@@H](C)[N@@H+](Cc2ccc(N(C)C)cc2)CC1=O ZINC001203937541 939715068 /nfs/dbraw/zinc/71/50/68/939715068.db2.gz VMBWTFGAGPQOEU-CYBMUJFWSA-N 1 2 275.396 1.805 20 10 CDCDLO COc1cc(C[N@H+](C)Cc2cnn(C)c2)cc(O)c1O ZINC001204342404 939757583 /nfs/dbraw/zinc/75/75/83/939757583.db2.gz LLZIZIQCIANIFG-UHFFFAOYSA-N 1 2 277.324 1.472 20 10 CDCDLO COc1cc(C[N@@H+](C)Cc2cnn(C)c2)cc(O)c1O ZINC001204342404 939757587 /nfs/dbraw/zinc/75/75/87/939757587.db2.gz LLZIZIQCIANIFG-UHFFFAOYSA-N 1 2 277.324 1.472 20 10 CDCDLO [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1O ZINC001206465203 940044611 /nfs/dbraw/zinc/04/46/11/940044611.db2.gz XTRIYKKOAYKGIK-GZMMTYOYSA-N 1 2 291.178 1.450 20 10 CDCDLO [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1O ZINC001206465203 940044614 /nfs/dbraw/zinc/04/46/14/940044614.db2.gz XTRIYKKOAYKGIK-GZMMTYOYSA-N 1 2 291.178 1.450 20 10 CDCDLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2O)nn1C ZINC001237573990 944853413 /nfs/dbraw/zinc/85/34/13/944853413.db2.gz VTNUNLAQMZEKCM-UHFFFAOYSA-N 1 2 289.335 1.544 20 10 CDCDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2O)nn1C ZINC001237573990 944853419 /nfs/dbraw/zinc/85/34/19/944853419.db2.gz VTNUNLAQMZEKCM-UHFFFAOYSA-N 1 2 289.335 1.544 20 10 CDCDLO C[C@@]1(O)COCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237616933 944890402 /nfs/dbraw/zinc/89/04/02/944890402.db2.gz JZUOFGRQLDHKLV-ZDUSSCGKSA-N 1 2 289.734 1.768 20 10 CDCDLO C[C@@]1(O)COCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237616933 944890411 /nfs/dbraw/zinc/89/04/11/944890411.db2.gz JZUOFGRQLDHKLV-ZDUSSCGKSA-N 1 2 289.734 1.768 20 10 CDCDLO CN(C)C(=O)C1C[NH+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237937736 945011532 /nfs/dbraw/zinc/01/15/32/945011532.db2.gz UJXAFNBWPSSMDD-UHFFFAOYSA-N 1 2 286.734 1.705 20 10 CDCDLO Cc1nnc(C[NH2+]Cc2c(O)ccc(Cl)c2F)n1C ZINC001343586464 964051069 /nfs/dbraw/zinc/05/10/69/964051069.db2.gz ZZCLPZUNEKWYMZ-UHFFFAOYSA-N 1 2 284.722 1.911 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1cc(OC)ccc1O)C1CC1 ZINC000179750713 357223143 /nfs/dbraw/zinc/22/31/43/357223143.db2.gz YTAWTTOOWBTERH-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1cc(OC)ccc1O)C1CC1 ZINC000179750713 357223146 /nfs/dbraw/zinc/22/31/46/357223146.db2.gz YTAWTTOOWBTERH-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@]13CCOC3)OCO2 ZINC000282445787 367889561 /nfs/dbraw/zinc/88/95/61/367889561.db2.gz UTMHNZASHAJPQO-OAHLLOKOSA-N 1 2 293.319 1.112 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@]13CCOC3)OCO2 ZINC000282445787 367889566 /nfs/dbraw/zinc/88/95/66/367889566.db2.gz UTMHNZASHAJPQO-OAHLLOKOSA-N 1 2 293.319 1.112 20 10 CDCDLO C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)NCCF ZINC000282864643 368075119 /nfs/dbraw/zinc/07/51/19/368075119.db2.gz UUQFQUXTZLIHBW-IUCAKERBSA-N 1 2 299.302 1.425 20 10 CDCDLO CN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000493377065 375448622 /nfs/dbraw/zinc/44/86/22/375448622.db2.gz AGDCQNCNAKHUBL-SREVYHEPSA-N 1 2 268.320 1.906 20 10 CDCDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1cc(F)ccc1O ZINC000186214797 262084351 /nfs/dbraw/zinc/08/43/51/262084351.db2.gz UPPHWWADGWCSTJ-MRVPVSSYSA-N 1 2 250.277 1.511 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376940580 268031585 /nfs/dbraw/zinc/03/15/85/268031585.db2.gz IJEIBCPXARUTST-ZDUSSCGKSA-N 1 2 285.347 1.810 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC(N)=O)c1O ZINC000050133607 518277380 /nfs/dbraw/zinc/27/73/80/518277380.db2.gz MFHLJKFMVBHNIR-UHFFFAOYSA-N 1 2 270.716 1.165 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC(N)=O)c1O ZINC000050133607 518277388 /nfs/dbraw/zinc/27/73/88/518277388.db2.gz MFHLJKFMVBHNIR-UHFFFAOYSA-N 1 2 270.716 1.165 20 10 CDCDLO COc1ccc(O)c(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)c1 ZINC000792193635 1162267152 /nfs/dbraw/zinc/26/71/52/1162267152.db2.gz ZUYIHIPKZNRSIV-QWRGUYRKSA-N 1 2 283.393 1.742 20 10 CDCDLO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000290296317 524010329 /nfs/dbraw/zinc/01/03/29/524010329.db2.gz YJCFYBOYPUYVBH-SWPVVBRQSA-N 1 2 273.279 1.735 20 10 CDCDLO CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1O)C(F)(F)F ZINC000733329963 575115223 /nfs/dbraw/zinc/11/52/23/575115223.db2.gz MNXCVTHUQAQIJJ-JTQLQIEISA-N 1 2 294.229 1.967 20 10 CDCDLO CCOc1ccc(C[N@H+](C)Cc2nnc[nH]2)c(O)c1 ZINC000769459816 576355751 /nfs/dbraw/zinc/35/57/51/576355751.db2.gz GLTRXQRBCKHCCU-UHFFFAOYSA-N 1 2 262.313 1.541 20 10 CDCDLO CCOc1ccc(C[N@@H+](C)Cc2nnc[nH]2)c(O)c1 ZINC000769459816 576355752 /nfs/dbraw/zinc/35/57/52/576355752.db2.gz GLTRXQRBCKHCCU-UHFFFAOYSA-N 1 2 262.313 1.541 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCNC2=O)c1O ZINC000759424588 576387747 /nfs/dbraw/zinc/38/77/47/576387747.db2.gz RFTXLIQNALGLAD-GFCCVEGCSA-N 1 2 296.754 1.569 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCNC2=O)c1O ZINC000759424588 576387749 /nfs/dbraw/zinc/38/77/49/576387749.db2.gz RFTXLIQNALGLAD-GFCCVEGCSA-N 1 2 296.754 1.569 20 10 CDCDLO Cc1n[nH]c(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)n1 ZINC000757639865 577047821 /nfs/dbraw/zinc/04/78/21/577047821.db2.gz VJHSIUWTCRDEEO-ZETCQYMHSA-N 1 2 282.294 1.990 20 10 CDCDLO Cc1nc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)n[nH]1 ZINC000757639865 577047823 /nfs/dbraw/zinc/04/78/23/577047823.db2.gz VJHSIUWTCRDEEO-ZETCQYMHSA-N 1 2 282.294 1.990 20 10 CDCDLO CN(C)c1cc(COC(=O)c2cccc(O)c2O)cc[nH+]1 ZINC000758561834 577117567 /nfs/dbraw/zinc/11/75/67/577117567.db2.gz NWWZYURVKDMJIF-UHFFFAOYSA-N 1 2 288.303 1.916 20 10 CDCDLO O=C(NCc1ccccc1O)[C@H]1CCc2[nH+]ccn2C1 ZINC000787132281 618370612 /nfs/dbraw/zinc/37/06/12/618370612.db2.gz XVMDHTZMSARVRQ-LBPRGKRZSA-N 1 2 271.320 1.468 20 10 CDCDLO COc1ccc(C[N@H+](C)Cc2cnc[nH]2)c(O)c1OC ZINC000895303244 619535887 /nfs/dbraw/zinc/53/58/87/619535887.db2.gz VARWESUIAFTDBU-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO COc1ccc(C[N@@H+](C)Cc2cnc[nH]2)c(O)c1OC ZINC000895303244 619535891 /nfs/dbraw/zinc/53/58/91/619535891.db2.gz VARWESUIAFTDBU-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO COc1ccc(C[N@H+](C)Cc2c[nH]cn2)c(O)c1OC ZINC000895303244 619535893 /nfs/dbraw/zinc/53/58/93/619535893.db2.gz VARWESUIAFTDBU-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO COc1ccc(C[N@@H+](C)Cc2c[nH]cn2)c(O)c1OC ZINC000895303244 619535896 /nfs/dbraw/zinc/53/58/96/619535896.db2.gz VARWESUIAFTDBU-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](OC)C2)c1 ZINC000895968802 619927329 /nfs/dbraw/zinc/92/73/29/619927329.db2.gz GTOMVFMUJDTFKV-CQSZACIVSA-N 1 2 267.325 1.596 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](OC)C2)c1 ZINC000895968802 619927330 /nfs/dbraw/zinc/92/73/30/619927330.db2.gz GTOMVFMUJDTFKV-CQSZACIVSA-N 1 2 267.325 1.596 20 10 CDCDLO C[C@H]([NH2+]CC[NH2+]C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001604341515 1163158688 /nfs/dbraw/zinc/15/86/88/1163158688.db2.gz GGIBAYWJXPMEDY-VIFPVBQESA-N 1 2 264.325 1.493 20 10 CDCDLO COc1ccc(N2CCN(c3cc(N)nc[nH+]3)CC2)cc1 ZINC000112750032 1174847306 /nfs/dbraw/zinc/84/73/06/1174847306.db2.gz CLJWAODJXKERMI-UHFFFAOYSA-N 1 2 285.351 1.394 20 10 CDCDLO CN1CC[C@@]2(CC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001272616650 914181110 /nfs/dbraw/zinc/18/11/10/914181110.db2.gz NBRDKIDIAYNSBA-HNNXBMFYSA-N 1 2 296.317 1.725 20 10 CDCDLO CN1CC[C@@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001272616650 914181126 /nfs/dbraw/zinc/18/11/26/914181126.db2.gz NBRDKIDIAYNSBA-HNNXBMFYSA-N 1 2 296.317 1.725 20 10 CDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831925558 936547125 /nfs/dbraw/zinc/54/71/25/936547125.db2.gz YVHDTIVXNWJOIY-SECBINFHSA-N 1 2 275.308 1.111 20 10 CDCDLO Cn1cc(C[N@H+](C)Cc2cc(F)ccc2O)nn1 ZINC000827305307 936586091 /nfs/dbraw/zinc/58/60/91/936586091.db2.gz PXGZBHIKFFHOEW-UHFFFAOYSA-N 1 2 250.277 1.292 20 10 CDCDLO Cn1cc(C[N@@H+](C)Cc2cc(F)ccc2O)nn1 ZINC000827305307 936586092 /nfs/dbraw/zinc/58/60/92/936586092.db2.gz PXGZBHIKFFHOEW-UHFFFAOYSA-N 1 2 250.277 1.292 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3ccncn3)CC2)cc1 ZINC001140345836 936704386 /nfs/dbraw/zinc/70/43/86/936704386.db2.gz LLHXPYIBXOQGNQ-UHFFFAOYSA-N 1 2 284.363 1.807 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CC[C@H]1O ZINC001140582249 936727246 /nfs/dbraw/zinc/72/72/46/936727246.db2.gz FQORWVYXOURLAL-PRHODGIISA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@H]1O ZINC001140582249 936727247 /nfs/dbraw/zinc/72/72/47/936727247.db2.gz FQORWVYXOURLAL-PRHODGIISA-N 1 2 257.280 1.873 20 10 CDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140947795 936782215 /nfs/dbraw/zinc/78/22/15/936782215.db2.gz GAEBMZQSCQOFFB-CYBMUJFWSA-N 1 2 291.347 1.655 20 10 CDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC001140947795 936782216 /nfs/dbraw/zinc/78/22/16/936782216.db2.gz GAEBMZQSCQOFFB-CYBMUJFWSA-N 1 2 291.347 1.655 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CCC1=O ZINC001140947795 936782217 /nfs/dbraw/zinc/78/22/17/936782217.db2.gz GAEBMZQSCQOFFB-CYBMUJFWSA-N 1 2 291.347 1.655 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)CCC1=O ZINC001140947795 936782219 /nfs/dbraw/zinc/78/22/19/936782219.db2.gz GAEBMZQSCQOFFB-CYBMUJFWSA-N 1 2 291.347 1.655 20 10 CDCDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)c(O)c1O ZINC000780954153 937208070 /nfs/dbraw/zinc/20/80/70/937208070.db2.gz BFEQSDGRWPKZTB-UHFFFAOYSA-N 1 2 261.281 1.368 20 10 CDCDLO Cc1cc(N(C)C)ccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000827962565 937230354 /nfs/dbraw/zinc/23/03/54/937230354.db2.gz ODAPFYUSHVCLGS-UHFFFAOYSA-N 1 2 272.352 1.643 20 10 CDCDLO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(F)cc(F)c1O ZINC000858549213 928883992 /nfs/dbraw/zinc/88/39/92/928883992.db2.gz VAIKMSNLSSCLLK-GXSJLCMTSA-N 1 2 286.322 1.388 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000862531729 929421943 /nfs/dbraw/zinc/42/19/43/929421943.db2.gz JUQHRGXSRNQTPV-GHMZBOCLSA-N 1 2 275.707 1.424 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000846059778 931956723 /nfs/dbraw/zinc/95/67/23/931956723.db2.gz IVKBBQOQABLQMZ-ZANVPECISA-N 1 2 299.754 1.808 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000846059778 931956729 /nfs/dbraw/zinc/95/67/29/931956729.db2.gz IVKBBQOQABLQMZ-ZANVPECISA-N 1 2 299.754 1.808 20 10 CDCDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccc(O)c1O ZINC001148212053 932669171 /nfs/dbraw/zinc/66/91/71/932669171.db2.gz JNKPYNGJABGVJW-UHFFFAOYSA-N 1 2 269.260 1.998 20 10 CDCDLO Cn1cc[nH+]c1CCC(=O)NCc1cccc(O)c1O ZINC001123978685 936260866 /nfs/dbraw/zinc/26/08/66/936260866.db2.gz YDEOFXZOEUQSCN-UHFFFAOYSA-N 1 2 275.308 1.080 20 10 CDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(OC)cc2O)CCO1 ZINC001203627748 939698039 /nfs/dbraw/zinc/69/80/39/939698039.db2.gz MULSZRIYYFBSEG-CQSZACIVSA-N 1 2 295.335 1.165 20 10 CDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)CCO1 ZINC001203627748 939698041 /nfs/dbraw/zinc/69/80/41/939698041.db2.gz MULSZRIYYFBSEG-CQSZACIVSA-N 1 2 295.335 1.165 20 10 CDCDLO COc1ccc(O)c(C[N@H+](C)Cc2ncccn2)c1 ZINC001203670342 939700179 /nfs/dbraw/zinc/70/01/79/939700179.db2.gz OIGVYVINKHTNNN-UHFFFAOYSA-N 1 2 259.309 1.823 20 10 CDCDLO COc1ccc(O)c(C[N@@H+](C)Cc2ncccn2)c1 ZINC001203670342 939700181 /nfs/dbraw/zinc/70/01/81/939700181.db2.gz OIGVYVINKHTNNN-UHFFFAOYSA-N 1 2 259.309 1.823 20 10 CDCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203883728 939711888 /nfs/dbraw/zinc/71/18/88/939711888.db2.gz MNAJWDDSGMKBRZ-UHIISALHSA-N 1 2 277.320 1.624 20 10 CDCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203883728 939711889 /nfs/dbraw/zinc/71/18/89/939711889.db2.gz MNAJWDDSGMKBRZ-UHIISALHSA-N 1 2 277.320 1.624 20 10 CDCDLO CN(C1C[NH+](Cc2ccc(O)cc2O)C1)[C@H]1CCOC1 ZINC001204279061 939751987 /nfs/dbraw/zinc/75/19/87/939751987.db2.gz OXUPIAKIVLSXCL-LBPRGKRZSA-N 1 2 278.352 1.003 20 10 CDCDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(F)c(F)c1O ZINC001276856856 941650563 /nfs/dbraw/zinc/65/05/63/941650563.db2.gz LLZAHXQJBOJDAW-AOOOYVTPSA-N 1 2 254.280 1.559 20 10 CDCDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(F)c(F)c1O ZINC001276856856 941650564 /nfs/dbraw/zinc/65/05/64/941650564.db2.gz LLZAHXQJBOJDAW-AOOOYVTPSA-N 1 2 254.280 1.559 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001231849702 943028688 /nfs/dbraw/zinc/02/86/88/943028688.db2.gz WRDJJRBFTQCMHQ-UONOGXRCSA-N 1 2 282.359 1.666 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001231849702 943028691 /nfs/dbraw/zinc/02/86/91/943028691.db2.gz WRDJJRBFTQCMHQ-UONOGXRCSA-N 1 2 282.359 1.666 20 10 CDCDLO C[N@H+](Cc1ccncc1)Cc1cc(O)c(O)c(O)c1 ZINC001233010033 943459895 /nfs/dbraw/zinc/45/98/95/943459895.db2.gz IEELNUSQVSZKGO-UHFFFAOYSA-N 1 2 260.293 1.830 20 10 CDCDLO C[N@@H+](Cc1ccncc1)Cc1cc(O)c(O)c(O)c1 ZINC001233010033 943459899 /nfs/dbraw/zinc/45/98/99/943459899.db2.gz IEELNUSQVSZKGO-UHFFFAOYSA-N 1 2 260.293 1.830 20 10 CDCDLO Nc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001263304162 943822337 /nfs/dbraw/zinc/82/23/37/943822337.db2.gz UJLKPQZKVIXSOB-GFCCVEGCSA-N 1 2 270.336 1.344 20 10 CDCDLO CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001236870257 944598021 /nfs/dbraw/zinc/59/80/21/944598021.db2.gz PUCFEGHXMISXOL-NSHDSACASA-N 1 2 252.314 1.260 20 10 CDCDLO CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001236870257 944598025 /nfs/dbraw/zinc/59/80/25/944598025.db2.gz PUCFEGHXMISXOL-NSHDSACASA-N 1 2 252.314 1.260 20 10 CDCDLO COc1cc(C[N@@H+]2CCOC[C@H]2C)c(O)c(OC)c1 ZINC001237669229 944917406 /nfs/dbraw/zinc/91/74/06/944917406.db2.gz KPGCZUPBWJLVPC-SNVBAGLBSA-N 1 2 267.325 1.630 20 10 CDCDLO COc1cc(C[N@H+]2CCOC[C@H]2C)c(O)c(OC)c1 ZINC001237669229 944917418 /nfs/dbraw/zinc/91/74/18/944917418.db2.gz KPGCZUPBWJLVPC-SNVBAGLBSA-N 1 2 267.325 1.630 20 10 CDCDLO COc1cc(C[N@@H+]2CCC(=O)[C@H](C)C2)c(O)c(OC)c1 ZINC001237674896 944920529 /nfs/dbraw/zinc/92/05/29/944920529.db2.gz MVQROSJHFAVLTK-SNVBAGLBSA-N 1 2 279.336 1.820 20 10 CDCDLO COc1cc(C[N@H+]2CCC(=O)[C@H](C)C2)c(O)c(OC)c1 ZINC001237674896 944920538 /nfs/dbraw/zinc/92/05/38/944920538.db2.gz MVQROSJHFAVLTK-SNVBAGLBSA-N 1 2 279.336 1.820 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1O ZINC001237935177 945009115 /nfs/dbraw/zinc/00/91/15/945009115.db2.gz RAOLDPFPELUUKD-BXKDBHETSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1O ZINC001237935177 945009103 /nfs/dbraw/zinc/00/91/03/945009103.db2.gz RAOLDPFPELUUKD-BXKDBHETSA-N 1 2 289.734 1.360 20 10 CDCDLO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)c1O ZINC001238067873 945049330 /nfs/dbraw/zinc/04/93/30/945049330.db2.gz VRCRHEZJVWZNRG-TXEJJXNPSA-N 1 2 279.311 1.487 20 10 CDCDLO Cc1cc(F)cc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)c1O ZINC001238067873 945049338 /nfs/dbraw/zinc/04/93/38/945049338.db2.gz VRCRHEZJVWZNRG-TXEJJXNPSA-N 1 2 279.311 1.487 20 10 CDCDLO Cn1c[nH+]cc1CNC(=O)NCc1ccccc1O ZINC000811924627 1163561638 /nfs/dbraw/zinc/56/16/38/1163561638.db2.gz CFYSOWHALSHEAL-UHFFFAOYSA-N 1 2 260.297 1.125 20 10 CDCDLO OC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000083483186 358207769 /nfs/dbraw/zinc/20/77/69/358207769.db2.gz QEGVEFPNVHFCHF-QMMMGPOBSA-N 1 2 266.124 1.142 20 10 CDCDLO Oc1c(F)cccc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000273794228 365523260 /nfs/dbraw/zinc/52/32/60/365523260.db2.gz VVPWMPMGCQKKNT-UHFFFAOYSA-N 1 2 267.300 1.870 20 10 CDCDLO Oc1c(F)cccc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000273794228 365523267 /nfs/dbraw/zinc/52/32/67/365523267.db2.gz VVPWMPMGCQKKNT-UHFFFAOYSA-N 1 2 267.300 1.870 20 10 CDCDLO COCC[C@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000281179679 367600138 /nfs/dbraw/zinc/60/01/38/367600138.db2.gz HQFFUIKREUPWOL-SNVBAGLBSA-N 1 2 259.733 1.533 20 10 CDCDLO CCOCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273407666 286098974 /nfs/dbraw/zinc/09/89/74/286098974.db2.gz OXYDPYZDWSDWIH-SECBINFHSA-N 1 2 254.286 1.988 20 10 CDCDLO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377701303 329025721 /nfs/dbraw/zinc/02/57/21/329025721.db2.gz SOLJMDGYRJZDOK-HIFRSBDPSA-N 1 2 281.327 1.911 20 10 CDCDLO Oc1ccc(F)cc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377701303 329025723 /nfs/dbraw/zinc/02/57/23/329025723.db2.gz SOLJMDGYRJZDOK-HIFRSBDPSA-N 1 2 281.327 1.911 20 10 CDCDLO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1nnn(C)n1 ZINC000398065277 1159625400 /nfs/dbraw/zinc/62/54/00/1159625400.db2.gz HJNHYHLMRUJJIB-UWVGGRQHSA-N 1 2 273.340 1.562 20 10 CDCDLO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000789775816 1162105549 /nfs/dbraw/zinc/10/55/49/1162105549.db2.gz BZUJIWGIJNQNLG-AMIZOPFISA-N 1 2 289.734 1.814 20 10 CDCDLO CCOc1cccc(C[NH2+][C@]2(C)CCOC2=O)c1O ZINC000289746586 521376298 /nfs/dbraw/zinc/37/62/98/521376298.db2.gz HVHJRIHHYVEHDF-CQSZACIVSA-N 1 2 265.309 1.586 20 10 CDCDLO Oc1cc2c(cc1CN1CCn3c[nH+]cc3C1)OCO2 ZINC000291481400 526336656 /nfs/dbraw/zinc/33/66/56/526336656.db2.gz FWBGDVRTRNYGCB-UHFFFAOYSA-N 1 2 273.292 1.333 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000894474459 618908507 /nfs/dbraw/zinc/90/85/07/618908507.db2.gz CGGIOFYHBHLNPY-CQSZACIVSA-N 1 2 285.290 1.662 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000894474459 618908509 /nfs/dbraw/zinc/90/85/09/618908509.db2.gz CGGIOFYHBHLNPY-CQSZACIVSA-N 1 2 285.290 1.662 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH+]1CC2(C1)CCOC2 ZINC000894868075 619110509 /nfs/dbraw/zinc/11/05/09/619110509.db2.gz AHFOBXZIQOPKFH-UHFFFAOYSA-N 1 2 255.264 1.893 20 10 CDCDLO Cc1[nH]c(CNC(=O)C2=CC(=O)CS2)[nH+]c1C ZINC000896920763 620309967 /nfs/dbraw/zinc/30/99/67/620309967.db2.gz RJERUOIPYKQRLF-UHFFFAOYSA-N 1 2 251.311 1.724 20 10 CDCDLO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898192430 621387958 /nfs/dbraw/zinc/38/79/58/621387958.db2.gz IUUSZYQWBQACMO-ZYHUDNBSSA-N 1 2 259.708 1.950 20 10 CDCDLO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898192430 621387963 /nfs/dbraw/zinc/38/79/63/621387963.db2.gz IUUSZYQWBQACMO-ZYHUDNBSSA-N 1 2 259.708 1.950 20 10 CDCDLO CC[C@@H](COC)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604039109 1175730198 /nfs/dbraw/zinc/73/01/98/1175730198.db2.gz GFKQKSHILMREAU-ZJUUUORDSA-N 1 2 291.355 1.648 20 10 CDCDLO O=C(CCn1cc[nH+]c1)NCc1cc(Cl)ccc1O ZINC000857547898 783833123 /nfs/dbraw/zinc/83/31/23/783833123.db2.gz ZNBDDJQBKNHJLO-UHFFFAOYSA-N 1 2 279.727 1.949 20 10 CDCDLO CN(C)c1cc(F)c(C[N@H+](C)[C@H]2CCN(C)C2=O)cc1F ZINC000862247630 784493933 /nfs/dbraw/zinc/49/39/33/784493933.db2.gz KGFYIVUUDFGGAE-ZDUSSCGKSA-N 1 2 297.349 1.693 20 10 CDCDLO CN(C)c1cc(F)c(C[N@@H+](C)[C@H]2CCN(C)C2=O)cc1F ZINC000862247630 784493947 /nfs/dbraw/zinc/49/39/47/784493947.db2.gz KGFYIVUUDFGGAE-ZDUSSCGKSA-N 1 2 297.349 1.693 20 10 CDCDLO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000817971489 785306733 /nfs/dbraw/zinc/30/67/33/785306733.db2.gz DOTVBHHCMJAQMB-DTWKUNHWSA-N 1 2 252.314 1.177 20 10 CDCDLO COc1cc(O)c(C[NH2+][C@@H](C)c2ncn(C)n2)cc1OC ZINC000783706579 785404211 /nfs/dbraw/zinc/40/42/11/785404211.db2.gz PSOVYBHAZNLXGB-VIFPVBQESA-N 1 2 292.339 1.389 20 10 CDCDLO Cn1ncc2c1nc[nH+]c2NCc1ccc(O)c(O)c1 ZINC000119647588 785521146 /nfs/dbraw/zinc/52/11/46/785521146.db2.gz GAASVLAFOOLOOY-UHFFFAOYSA-N 1 2 271.280 1.387 20 10 CDCDLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000839193655 785805255 /nfs/dbraw/zinc/80/52/55/785805255.db2.gz UTLDNWKYBRTHLT-WDEREUQCSA-N 1 2 257.717 1.549 20 10 CDCDLO COCC[NH2+]CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964852 786293440 /nfs/dbraw/zinc/29/34/40/786293440.db2.gz LELSJZMDNFHOJJ-SNVBAGLBSA-N 1 2 283.328 1.187 20 10 CDCDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000311998775 788217517 /nfs/dbraw/zinc/21/75/17/788217517.db2.gz UDXAISDZWFOALY-LLVKDONJSA-N 1 2 287.356 1.540 20 10 CDCDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000311998775 788217529 /nfs/dbraw/zinc/21/75/29/788217529.db2.gz UDXAISDZWFOALY-LLVKDONJSA-N 1 2 287.356 1.540 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1Cl ZINC000824649148 789721906 /nfs/dbraw/zinc/72/19/06/789721906.db2.gz AMVAEKHEXSNZKU-GFCCVEGCSA-N 1 2 284.743 1.040 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1Cl ZINC000824649148 789721910 /nfs/dbraw/zinc/72/19/10/789721910.db2.gz AMVAEKHEXSNZKU-GFCCVEGCSA-N 1 2 284.743 1.040 20 10 CDCDLO COc1ccc(CNC(=O)CCc2c[nH+]cn2C)c(O)c1 ZINC000794377221 789773411 /nfs/dbraw/zinc/77/34/11/789773411.db2.gz PFCABSNABSNGKH-UHFFFAOYSA-N 1 2 289.335 1.383 20 10 CDCDLO CN1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2O)C1=O ZINC000708398529 897542041 /nfs/dbraw/zinc/54/20/41/897542041.db2.gz GFWGXZXUHGWAPQ-NSHDSACASA-N 1 2 270.279 1.333 20 10 CDCDLO CN1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2O)C1=O ZINC000708398529 897542047 /nfs/dbraw/zinc/54/20/47/897542047.db2.gz GFWGXZXUHGWAPQ-NSHDSACASA-N 1 2 270.279 1.333 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCN1C ZINC001140342179 936703532 /nfs/dbraw/zinc/70/35/32/936703532.db2.gz VZHXQQZVESWVBR-LBPRGKRZSA-N 1 2 298.770 1.335 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCN1C ZINC001140342179 936703533 /nfs/dbraw/zinc/70/35/33/936703533.db2.gz VZHXQQZVESWVBR-LBPRGKRZSA-N 1 2 298.770 1.335 20 10 CDCDLO OCCC[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137832817 922539669 /nfs/dbraw/zinc/53/96/69/922539669.db2.gz JGAXBWYMUBUSDV-UHFFFAOYSA-N 1 2 268.332 1.031 20 10 CDCDLO OCCCN1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137832817 922539695 /nfs/dbraw/zinc/53/96/95/922539695.db2.gz JGAXBWYMUBUSDV-UHFFFAOYSA-N 1 2 268.332 1.031 20 10 CDCDLO CC[N@H+](CC(=O)OC)Cc1ccc2c(c1)OCCN2C ZINC001141146622 936820147 /nfs/dbraw/zinc/82/01/47/936820147.db2.gz ZXCCXSBPNDLIGW-UHFFFAOYSA-N 1 2 278.352 1.510 20 10 CDCDLO CC[N@@H+](CC(=O)OC)Cc1ccc2c(c1)OCCN2C ZINC001141146622 936820148 /nfs/dbraw/zinc/82/01/48/936820148.db2.gz ZXCCXSBPNDLIGW-UHFFFAOYSA-N 1 2 278.352 1.510 20 10 CDCDLO Oc1ccc(O)c(C[N@@H+]2CCc3ncncc3C2)c1 ZINC001141160174 936822184 /nfs/dbraw/zinc/82/21/84/936822184.db2.gz SDGIESUGVNVTNU-UHFFFAOYSA-N 1 2 257.293 1.446 20 10 CDCDLO Oc1ccc(O)c(C[N@H+]2CCc3ncncc3C2)c1 ZINC001141160174 936822185 /nfs/dbraw/zinc/82/21/85/936822185.db2.gz SDGIESUGVNVTNU-UHFFFAOYSA-N 1 2 257.293 1.446 20 10 CDCDLO O=C1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CN1C1CC1 ZINC000883027407 930128731 /nfs/dbraw/zinc/12/87/31/930128731.db2.gz AHCNWBLKYFQQPA-JTQLQIEISA-N 1 2 282.290 1.523 20 10 CDCDLO O=C(NCc1ccc(O)c(O)c1)c1cccc2[nH+]ccn21 ZINC000778918365 934293519 /nfs/dbraw/zinc/29/35/19/934293519.db2.gz PKBTVSAPGWUAEF-UHFFFAOYSA-N 1 2 283.287 1.676 20 10 CDCDLO O=C1COC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC001203663979 939700256 /nfs/dbraw/zinc/70/02/56/939700256.db2.gz JJHPDJGCWHKWAN-LBPRGKRZSA-N 1 2 296.754 1.089 20 10 CDCDLO O=C1COC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC001203663979 939700258 /nfs/dbraw/zinc/70/02/58/939700258.db2.gz JJHPDJGCWHKWAN-LBPRGKRZSA-N 1 2 296.754 1.089 20 10 CDCDLO CC(=O)N1CC[N@H+](Cc2ccc(O)c(O)c2)[C@@H](C)C1 ZINC001203879141 939710697 /nfs/dbraw/zinc/71/06/97/939710697.db2.gz GIEPZEZMIVQERV-JTQLQIEISA-N 1 2 264.325 1.150 20 10 CDCDLO CC(=O)N1CC[N@@H+](Cc2ccc(O)c(O)c2)[C@@H](C)C1 ZINC001203879141 939710698 /nfs/dbraw/zinc/71/06/98/939710698.db2.gz GIEPZEZMIVQERV-JTQLQIEISA-N 1 2 264.325 1.150 20 10 CDCDLO COc1cc(C[N@H+](C)Cc2ccncn2)cc(O)c1O ZINC001204350881 939758894 /nfs/dbraw/zinc/75/88/94/939758894.db2.gz MFTYYVVQSAOFNM-UHFFFAOYSA-N 1 2 275.308 1.528 20 10 CDCDLO COc1cc(C[N@@H+](C)Cc2ccncn2)cc(O)c1O ZINC001204350881 939758897 /nfs/dbraw/zinc/75/88/97/939758897.db2.gz MFTYYVVQSAOFNM-UHFFFAOYSA-N 1 2 275.308 1.528 20 10 CDCDLO [NH3+][C@H]1C[C@H](F)CN(Cc2c(F)ccc(F)c2O)C1 ZINC001206422089 940035989 /nfs/dbraw/zinc/03/59/89/940035989.db2.gz BAGDFYFMQMBMFH-YUMQZZPRSA-N 1 2 260.259 1.542 20 10 CDCDLO CCNC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1OC ZINC001231848527 943028850 /nfs/dbraw/zinc/02/88/50/943028850.db2.gz HVYHOLCWPRXOQA-UHFFFAOYSA-N 1 2 279.384 1.329 20 10 CDCDLO CCNC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1OC ZINC001231848527 943028853 /nfs/dbraw/zinc/02/88/53/943028853.db2.gz HVYHOLCWPRXOQA-UHFFFAOYSA-N 1 2 279.384 1.329 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@H](C)C1 ZINC001231852631 943030483 /nfs/dbraw/zinc/03/04/83/943030483.db2.gz YTPPOLDTPIFBCC-GFCCVEGCSA-N 1 2 264.369 1.982 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCO[C@H](C)C1 ZINC001231852631 943030489 /nfs/dbraw/zinc/03/04/89/943030489.db2.gz YTPPOLDTPIFBCC-GFCCVEGCSA-N 1 2 264.369 1.982 20 10 CDCDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233485580 943592310 /nfs/dbraw/zinc/59/23/10/943592310.db2.gz BUPVIUMVQNXQPE-LLVKDONJSA-N 1 2 295.335 1.721 20 10 CDCDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233485580 943592315 /nfs/dbraw/zinc/59/23/15/943592315.db2.gz BUPVIUMVQNXQPE-LLVKDONJSA-N 1 2 295.335 1.721 20 10 CDCDLO COc1cc(C[NH+]2CC(N3CC(F)C3)C2)c(O)c(OC)c1 ZINC001237674592 944918034 /nfs/dbraw/zinc/91/80/34/944918034.db2.gz JPHBOYTUTFQMIL-UHFFFAOYSA-N 1 2 296.342 1.247 20 10 CDCDLO CC[N@H+](Cc1cc(OC)cc(OC)c1O)[C@@H](C)C(=O)OC ZINC001237682581 944924083 /nfs/dbraw/zinc/92/40/83/944924083.db2.gz BNQYXMLUJDOGGV-JTQLQIEISA-N 1 2 297.351 1.793 20 10 CDCDLO CC[N@@H+](Cc1cc(OC)cc(OC)c1O)[C@@H](C)C(=O)OC ZINC001237682581 944924092 /nfs/dbraw/zinc/92/40/92/944924092.db2.gz BNQYXMLUJDOGGV-JTQLQIEISA-N 1 2 297.351 1.793 20 10 CDCDLO CCOC(=O)C[N@H+](CC)Cc1cc(OC)cc(OC)c1O ZINC001237682284 944924564 /nfs/dbraw/zinc/92/45/64/944924564.db2.gz XUIGOKPBXMDJQG-UHFFFAOYSA-N 1 2 297.351 1.794 20 10 CDCDLO CCOC(=O)C[N@@H+](CC)Cc1cc(OC)cc(OC)c1O ZINC001237682284 944924573 /nfs/dbraw/zinc/92/45/73/944924573.db2.gz XUIGOKPBXMDJQG-UHFFFAOYSA-N 1 2 297.351 1.794 20 10 CDCDLO C[C@]1(O)COCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935233 945009872 /nfs/dbraw/zinc/00/98/72/945009872.db2.gz SOECFTINJQONKS-CYBMUJFWSA-N 1 2 289.734 1.768 20 10 CDCDLO C[C@]1(O)COCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935233 945009878 /nfs/dbraw/zinc/00/98/78/945009878.db2.gz SOECFTINJQONKS-CYBMUJFWSA-N 1 2 289.734 1.768 20 10 CDCDLO COc1ccc(CNC(=O)[C@H](C)n2cc[nH+]c2)c(O)c1 ZINC001321067027 959573502 /nfs/dbraw/zinc/57/35/02/959573502.db2.gz HTSDYMRRLMDGCU-JTQLQIEISA-N 1 2 275.308 1.475 20 10 CDCDLO CCOc1cccc(C[NH+]2CC(NC(C)=O)C2)c1O ZINC000297530607 200220610 /nfs/dbraw/zinc/22/06/10/200220610.db2.gz XSACYTGDCZMJIG-UHFFFAOYSA-N 1 2 264.325 1.111 20 10 CDCDLO COCC1(O)C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000297628722 200246236 /nfs/dbraw/zinc/24/62/36/200246236.db2.gz WKBXDUGNXGPGPK-UHFFFAOYSA-N 1 2 257.717 1.239 20 10 CDCDLO CCCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c(O)c1 ZINC000123497913 360290630 /nfs/dbraw/zinc/29/06/30/360290630.db2.gz AXJUFHKTXOEPJK-NSHDSACASA-N 1 2 278.352 1.501 20 10 CDCDLO CCCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)c(O)c1 ZINC000123497913 360290635 /nfs/dbraw/zinc/29/06/35/360290635.db2.gz AXJUFHKTXOEPJK-NSHDSACASA-N 1 2 278.352 1.501 20 10 CDCDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271172604 364959244 /nfs/dbraw/zinc/95/92/44/364959244.db2.gz AIDZQQHTKHPOGM-HNNXBMFYSA-N 1 2 298.333 1.979 20 10 CDCDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271172604 364959249 /nfs/dbraw/zinc/95/92/49/364959249.db2.gz AIDZQQHTKHPOGM-HNNXBMFYSA-N 1 2 298.333 1.979 20 10 CDCDLO CC(C)[NH+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276612385 519680384 /nfs/dbraw/zinc/68/03/84/519680384.db2.gz PSDQHQXQEJWZCR-UHFFFAOYSA-N 1 2 282.315 1.403 20 10 CDCDLO CN(C)c1ccc(C[N@H+](C)Cc2nncn2C)cc1F ZINC000289990635 522172015 /nfs/dbraw/zinc/17/20/15/522172015.db2.gz CFRDTCVCKNECNG-UHFFFAOYSA-N 1 2 277.347 1.652 20 10 CDCDLO CN(C)c1ccc(C[N@@H+](C)Cc2nncn2C)cc1F ZINC000289990635 522172030 /nfs/dbraw/zinc/17/20/30/522172030.db2.gz CFRDTCVCKNECNG-UHFFFAOYSA-N 1 2 277.347 1.652 20 10 CDCDLO CN(C)c1ccc2c(c1)OCCN2CC[NH+]1CCOCC1 ZINC000266867598 522253942 /nfs/dbraw/zinc/25/39/42/522253942.db2.gz NOVNBNQMSCTTDP-UHFFFAOYSA-N 1 2 291.395 1.284 20 10 CDCDLO COc1cccc(O)c1C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000768138539 576260346 /nfs/dbraw/zinc/26/03/46/576260346.db2.gz OCRNHQYEEUMDQI-SNVBAGLBSA-N 1 2 285.365 1.020 20 10 CDCDLO COc1cccc(O)c1C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000768138539 576260348 /nfs/dbraw/zinc/26/03/48/576260348.db2.gz OCRNHQYEEUMDQI-SNVBAGLBSA-N 1 2 285.365 1.020 20 10 CDCDLO O=C(NCCn1cc[nH+]c1)NCc1ccccc1O ZINC000748452158 576913095 /nfs/dbraw/zinc/91/30/95/576913095.db2.gz ZOMPYNTVVWZJJJ-UHFFFAOYSA-N 1 2 260.297 1.088 20 10 CDCDLO COc1ccc(N2CC[NH+](CCF)CC2)cc1F ZINC000759364617 577174215 /nfs/dbraw/zinc/17/42/15/577174215.db2.gz FTBVTYOUWYGYKC-UHFFFAOYSA-N 1 2 256.296 1.926 20 10 CDCDLO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902413078 624817886 /nfs/dbraw/zinc/81/78/86/624817886.db2.gz HYVTZFLOTZFAFQ-VIFPVBQESA-N 1 2 264.325 1.321 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1C=CCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589952014 1173208789 /nfs/dbraw/zinc/20/87/89/1173208789.db2.gz MYMNYXYZPVEEHV-NXEZZACHSA-N 1 2 271.324 1.942 20 10 CDCDLO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001589978576 1173221526 /nfs/dbraw/zinc/22/15/26/1173221526.db2.gz OWWOJUCPTVUBNP-LPEHRKFASA-N 1 2 273.340 1.879 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000834906875 790283715 /nfs/dbraw/zinc/28/37/15/790283715.db2.gz IOHQWXVERUTYNQ-OYNCUSHFSA-N 1 2 284.306 1.975 20 10 CDCDLO CCC[N@H+](CC(N)=O)Cc1cc(F)cc(F)c1O ZINC000708382059 790324070 /nfs/dbraw/zinc/32/40/70/790324070.db2.gz DQJXBLCOQVPHCF-UHFFFAOYSA-N 1 2 258.268 1.368 20 10 CDCDLO CCC[N@@H+](CC(N)=O)Cc1cc(F)cc(F)c1O ZINC000708382059 790324076 /nfs/dbraw/zinc/32/40/76/790324076.db2.gz DQJXBLCOQVPHCF-UHFFFAOYSA-N 1 2 258.268 1.368 20 10 CDCDLO CCn1cnnc1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886504955 790439196 /nfs/dbraw/zinc/43/91/96/790439196.db2.gz AMUWKDZOMIQQMN-SECBINFHSA-N 1 2 264.304 1.994 20 10 CDCDLO Cc1ccc(C(=O)OCCc2c[nH+]cn2C)c(O)c1O ZINC000837485313 790814942 /nfs/dbraw/zinc/81/49/42/790814942.db2.gz NXWGTQMXPWEQFG-UHFFFAOYSA-N 1 2 276.292 1.539 20 10 CDCDLO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000834899719 790917131 /nfs/dbraw/zinc/91/71/31/790917131.db2.gz JSXKHLGODXKSIL-SFYZADRCSA-N 1 2 272.295 1.846 20 10 CDCDLO Cc1cc(O)c(C[N@H+](C)CCS(C)(=O)=O)cc1Cl ZINC000824568091 789872336 /nfs/dbraw/zinc/87/23/36/789872336.db2.gz ZGEXKYICPVEFTB-UHFFFAOYSA-N 1 2 291.800 1.830 20 10 CDCDLO Cc1cc(O)c(C[N@@H+](C)CCS(C)(=O)=O)cc1Cl ZINC000824568091 789872341 /nfs/dbraw/zinc/87/23/41/789872341.db2.gz ZGEXKYICPVEFTB-UHFFFAOYSA-N 1 2 291.800 1.830 20 10 CDCDLO Cn1cc(C[NH2+]Cc2cc(F)cc(F)c2O)nn1 ZINC000708556730 790024067 /nfs/dbraw/zinc/02/40/67/790024067.db2.gz XEQWLHOBAKKZFD-UHFFFAOYSA-N 1 2 254.240 1.089 20 10 CDCDLO CNC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000825479435 790032698 /nfs/dbraw/zinc/03/26/98/790032698.db2.gz NYTPTNIMLKYILT-ZDUSSCGKSA-N 1 2 298.770 1.301 20 10 CDCDLO CNC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000825479435 790032710 /nfs/dbraw/zinc/03/27/10/790032710.db2.gz NYTPTNIMLKYILT-ZDUSSCGKSA-N 1 2 298.770 1.301 20 10 CDCDLO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000843427445 791358898 /nfs/dbraw/zinc/35/88/98/791358898.db2.gz BDVFAQMUBZZMCS-GHMZBOCLSA-N 1 2 275.707 1.688 20 10 CDCDLO C[N@H+]1CCN(Cc2cccc(Cl)c2O)[C@@H](CO)C1 ZINC000877645011 791729993 /nfs/dbraw/zinc/72/99/93/791729993.db2.gz YEUOPUHFHOFPKD-LLVKDONJSA-N 1 2 270.760 1.154 20 10 CDCDLO C[N@@H+]1CCN(Cc2cccc(Cl)c2O)[C@@H](CO)C1 ZINC000877645011 791729974 /nfs/dbraw/zinc/72/99/74/791729974.db2.gz YEUOPUHFHOFPKD-LLVKDONJSA-N 1 2 270.760 1.154 20 10 CDCDLO OCC1(O)CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000827147523 792008976 /nfs/dbraw/zinc/00/89/76/792008976.db2.gz SOXFAJZNADTXND-UHFFFAOYSA-N 1 2 289.734 1.504 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000708495626 792843379 /nfs/dbraw/zinc/84/33/79/792843379.db2.gz ZVOXXGKFCNIFCU-NSHDSACASA-N 1 2 268.307 1.997 20 10 CDCDLO O=C(c1cccc(O)c1O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000790643266 794618958 /nfs/dbraw/zinc/61/89/58/794618958.db2.gz LDXGHKUXVZTLEE-LLVKDONJSA-N 1 2 287.319 1.772 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1c(O)cccc1OC ZINC000809773408 794996767 /nfs/dbraw/zinc/99/67/67/794996767.db2.gz RGYLOGUHKXZZQN-NSHDSACASA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1c(O)cccc1OC ZINC000809773408 794996787 /nfs/dbraw/zinc/99/67/87/794996787.db2.gz RGYLOGUHKXZZQN-NSHDSACASA-N 1 2 295.335 1.165 20 10 CDCDLO CCOC(=O)[C@H]1CSCC[N@@H+]1Cc1ccccc1O ZINC000778995141 795049505 /nfs/dbraw/zinc/04/95/05/795049505.db2.gz QYPUACNBIZJZSR-GFCCVEGCSA-N 1 2 281.377 1.873 20 10 CDCDLO CCOC(=O)[C@H]1CSCC[N@H+]1Cc1ccccc1O ZINC000778995141 795049511 /nfs/dbraw/zinc/04/95/11/795049511.db2.gz QYPUACNBIZJZSR-GFCCVEGCSA-N 1 2 281.377 1.873 20 10 CDCDLO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000789775820 795966920 /nfs/dbraw/zinc/96/69/20/795966920.db2.gz BZUJIWGIJNQNLG-SDBXPKJASA-N 1 2 289.734 1.814 20 10 CDCDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000708422246 795982710 /nfs/dbraw/zinc/98/27/10/795982710.db2.gz LACSQRXJUBJOQT-CVJBHZAOSA-N 1 2 277.336 1.869 20 10 CDCDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000708422246 795982748 /nfs/dbraw/zinc/98/27/48/795982748.db2.gz LACSQRXJUBJOQT-CVJBHZAOSA-N 1 2 277.336 1.869 20 10 CDCDLO C[C@H]([NH2+]Cc1nnn(C)n1)c1cc2c(cc1O)CCCC2 ZINC000787042989 796409591 /nfs/dbraw/zinc/40/95/91/796409591.db2.gz RFFDFMKHSGKLDX-JTQLQIEISA-N 1 2 287.367 1.645 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cc(F)c(F)cc3O)[C@@H]2C1 ZINC001142512915 908836712 /nfs/dbraw/zinc/83/67/12/908836712.db2.gz PMCUJYAMHAZJHK-JBCWJZNQSA-N 1 2 299.317 1.642 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cc(F)c(F)cc3O)[C@@H]2C1 ZINC001142512915 908836725 /nfs/dbraw/zinc/83/67/25/908836725.db2.gz PMCUJYAMHAZJHK-JBCWJZNQSA-N 1 2 299.317 1.642 20 10 CDCDLO OC[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C[C@@H]1O ZINC001237808636 917630936 /nfs/dbraw/zinc/63/09/36/917630936.db2.gz VBYZNDRYBOMYFI-UFBFGSQYSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C[C@@H]1O ZINC001237808636 917630942 /nfs/dbraw/zinc/63/09/42/917630942.db2.gz VBYZNDRYBOMYFI-UFBFGSQYSA-N 1 2 289.734 1.360 20 10 CDCDLO Cn1ncc2c1CC[N@H+](Cc1cccc(F)c1O)C2 ZINC001138129684 936475611 /nfs/dbraw/zinc/47/56/11/936475611.db2.gz QXFKBPSRIMYVLF-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Cn1ncc2c1CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001138129684 936475614 /nfs/dbraw/zinc/47/56/14/936475614.db2.gz QXFKBPSRIMYVLF-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CC(=O)N1 ZINC001138354539 936525445 /nfs/dbraw/zinc/52/54/45/936525445.db2.gz MVSPWYZKKQCTSI-GFCCVEGCSA-N 1 2 273.380 1.389 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CC(=O)N1 ZINC001138354539 936525446 /nfs/dbraw/zinc/52/54/46/936525446.db2.gz MVSPWYZKKQCTSI-GFCCVEGCSA-N 1 2 273.380 1.389 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(O)cccc1Cl ZINC001140337864 936702890 /nfs/dbraw/zinc/70/28/90/936702890.db2.gz JWXKMEZORMBHNH-IUCAKERBSA-N 1 2 259.708 1.950 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(O)cccc1Cl ZINC001140337864 936702891 /nfs/dbraw/zinc/70/28/91/936702891.db2.gz JWXKMEZORMBHNH-IUCAKERBSA-N 1 2 259.708 1.950 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](C)C2)c(OC)c1 ZINC001141032342 936795980 /nfs/dbraw/zinc/79/59/80/936795980.db2.gz ZCJPJFNNYLFMOS-SNVBAGLBSA-N 1 2 267.325 1.630 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCO[C@H](C)C2)c(OC)c1 ZINC001141032342 936795982 /nfs/dbraw/zinc/79/59/82/936795982.db2.gz ZCJPJFNNYLFMOS-SNVBAGLBSA-N 1 2 267.325 1.630 20 10 CDCDLO CC(C)(C)C(=O)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162367 936822922 /nfs/dbraw/zinc/82/29/22/936822922.db2.gz RESRGODPXGOULN-UHFFFAOYSA-N 1 2 292.379 1.788 20 10 CDCDLO C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)S(C)(=O)=O ZINC000776252109 926485624 /nfs/dbraw/zinc/48/56/24/926485624.db2.gz HSFJUONSEOVDNB-SSDOTTSWSA-N 1 2 295.763 1.707 20 10 CDCDLO Cc1ccc(C[N@H+](C)Cc2nnc3c(=O)[nH]ccn23)c(O)c1 ZINC001119516866 937727107 /nfs/dbraw/zinc/72/71/07/937727107.db2.gz JJTNTLWHIHPOPG-UHFFFAOYSA-N 1 2 299.334 1.064 20 10 CDCDLO Cc1ccc(C[N@@H+](C)Cc2nnc3c(=O)[nH]ccn23)c(O)c1 ZINC001119516866 937727108 /nfs/dbraw/zinc/72/71/08/937727108.db2.gz JJTNTLWHIHPOPG-UHFFFAOYSA-N 1 2 299.334 1.064 20 10 CDCDLO COc1ccc(C[N@@H+]2CCN(C(C)(C)C)C(=O)C2)c(O)c1 ZINC001203627568 939697706 /nfs/dbraw/zinc/69/77/06/939697706.db2.gz JFPWBIAQRMLNKH-UHFFFAOYSA-N 1 2 292.379 1.844 20 10 CDCDLO COc1ccc(C[N@H+]2CCN(C(C)(C)C)C(=O)C2)c(O)c1 ZINC001203627568 939697707 /nfs/dbraw/zinc/69/77/07/939697707.db2.gz JFPWBIAQRMLNKH-UHFFFAOYSA-N 1 2 292.379 1.844 20 10 CDCDLO COC[C@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC001203664783 939700370 /nfs/dbraw/zinc/70/03/70/939700370.db2.gz VXCZNADWKLTDCR-LBPRGKRZSA-N 1 2 271.744 1.893 20 10 CDCDLO COC[C@H]1COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC001203664783 939700371 /nfs/dbraw/zinc/70/03/71/939700371.db2.gz VXCZNADWKLTDCR-LBPRGKRZSA-N 1 2 271.744 1.893 20 10 CDCDLO Cc1cc(C[N@H+](C)Cc2ccc(O)c(O)c2)n(C)n1 ZINC001203879398 939710850 /nfs/dbraw/zinc/71/08/50/939710850.db2.gz PIDBOLWAPSYKRE-UHFFFAOYSA-N 1 2 261.325 1.772 20 10 CDCDLO Cc1cc(C[N@@H+](C)Cc2ccc(O)c(O)c2)n(C)n1 ZINC001203879398 939710851 /nfs/dbraw/zinc/71/08/51/939710851.db2.gz PIDBOLWAPSYKRE-UHFFFAOYSA-N 1 2 261.325 1.772 20 10 CDCDLO CCOC(=O)C1C[NH+](Cc2ccc(O)c(O)c2)C1 ZINC001203882075 939711596 /nfs/dbraw/zinc/71/15/96/939711596.db2.gz DXHBTXXYBZJHOL-UHFFFAOYSA-N 1 2 251.282 1.093 20 10 CDCDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204280650 939752213 /nfs/dbraw/zinc/75/22/13/939752213.db2.gz AJKVGDNKYDLCFS-GFCCVEGCSA-N 1 2 295.335 1.252 20 10 CDCDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1ccc(O)cc1O ZINC001204280650 939752217 /nfs/dbraw/zinc/75/22/17/939752217.db2.gz AJKVGDNKYDLCFS-GFCCVEGCSA-N 1 2 295.335 1.252 20 10 CDCDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204348978 939759077 /nfs/dbraw/zinc/75/90/77/939759077.db2.gz MIPPUNSFDZZAGP-ZDUSSCGKSA-N 1 2 297.351 1.736 20 10 CDCDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204348978 939759081 /nfs/dbraw/zinc/75/90/81/939759081.db2.gz MIPPUNSFDZZAGP-ZDUSSCGKSA-N 1 2 297.351 1.736 20 10 CDCDLO COc1cc(C[N@@H+]2CCC(=O)C[C@@H]2C)c(O)cc1O ZINC001231634246 942949999 /nfs/dbraw/zinc/94/99/99/942949999.db2.gz JSTJQRXDRNPEOY-VIFPVBQESA-N 1 2 265.309 1.660 20 10 CDCDLO COc1cc(C[N@H+]2CCC(=O)C[C@@H]2C)c(O)cc1O ZINC001231634246 942950003 /nfs/dbraw/zinc/95/00/03/942950003.db2.gz JSTJQRXDRNPEOY-VIFPVBQESA-N 1 2 265.309 1.660 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCOC[C@@H]1C ZINC001231848029 943028404 /nfs/dbraw/zinc/02/84/04/943028404.db2.gz DVNVAEOKPWYMDP-LBPRGKRZSA-N 1 2 264.369 1.982 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCOC[C@@H]1C ZINC001231848029 943028406 /nfs/dbraw/zinc/02/84/06/943028406.db2.gz DVNVAEOKPWYMDP-LBPRGKRZSA-N 1 2 264.369 1.982 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cccc(Cl)c1O ZINC001231912861 943050083 /nfs/dbraw/zinc/05/00/83/943050083.db2.gz CKRCYJORYCVPTD-LBPRGKRZSA-N 1 2 298.770 1.335 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1cccc(Cl)c1O ZINC001231912861 943050089 /nfs/dbraw/zinc/05/00/89/943050089.db2.gz CKRCYJORYCVPTD-LBPRGKRZSA-N 1 2 298.770 1.335 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCO1 ZINC001232258579 943189897 /nfs/dbraw/zinc/18/98/97/943189897.db2.gz ATQOINMVVJKUPN-MRVPVSSYSA-N 1 2 257.717 1.972 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCO1 ZINC001232258579 943189900 /nfs/dbraw/zinc/18/99/00/943189900.db2.gz ATQOINMVVJKUPN-MRVPVSSYSA-N 1 2 257.717 1.972 20 10 CDCDLO CC(=O)N1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C[C@H]1C ZINC001232263388 943194554 /nfs/dbraw/zinc/19/45/54/943194554.db2.gz OYRDFVFDQRRESA-SECBINFHSA-N 1 2 298.770 1.804 20 10 CDCDLO CC(=O)N1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@H]1C ZINC001232263388 943194559 /nfs/dbraw/zinc/19/45/59/943194559.db2.gz OYRDFVFDQRRESA-SECBINFHSA-N 1 2 298.770 1.804 20 10 CDCDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233334712 943546916 /nfs/dbraw/zinc/54/69/16/943546916.db2.gz QOPLPWILFZFIDF-SNVBAGLBSA-N 1 2 284.306 1.771 20 10 CDCDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233334712 943546918 /nfs/dbraw/zinc/54/69/18/943546918.db2.gz QOPLPWILFZFIDF-SNVBAGLBSA-N 1 2 284.306 1.771 20 10 CDCDLO CC(C)C(=O)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486945 943595121 /nfs/dbraw/zinc/59/51/21/943595121.db2.gz IZKHLFKHFBPPJA-UHFFFAOYSA-N 1 2 294.351 1.104 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238058639 945046155 /nfs/dbraw/zinc/04/61/55/945046155.db2.gz UJHYHSXMCHNPGH-LBPRGKRZSA-N 1 2 267.300 1.977 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C)c1O ZINC001238058639 945046165 /nfs/dbraw/zinc/04/61/65/945046165.db2.gz UJHYHSXMCHNPGH-LBPRGKRZSA-N 1 2 267.300 1.977 20 10 CDCDLO COc1cc(C)cc(C[NH2+]Cc2nc(N(C)C)no2)c1O ZINC001331550961 957133762 /nfs/dbraw/zinc/13/37/62/957133762.db2.gz XUDABMLILUSDCQ-UHFFFAOYSA-N 1 2 292.339 1.448 20 10 CDCDLO COc1ccc(C[NH2+]Cc2csnn2)c(O)c1OC ZINC001333851523 958653062 /nfs/dbraw/zinc/65/30/62/958653062.db2.gz VCMCYRCZIMAXBQ-UHFFFAOYSA-N 1 2 281.337 1.551 20 10 CDCDLO Oc1cccc(Cl)c1C[NH2+]Cc1nnc2n1CCOC2 ZINC001320827100 959413448 /nfs/dbraw/zinc/41/34/48/959413448.db2.gz LAUOSGZSBBMGFX-UHFFFAOYSA-N 1 2 294.742 1.457 20 10 CDCDLO Cc1[nH+]ccn1CCCNC(=O)c1c(F)ccc(O)c1O ZINC000294810278 371093668 /nfs/dbraw/zinc/09/36/68/371093668.db2.gz JKUAZJWYSIUPJW-UHFFFAOYSA-N 1 2 293.298 1.562 20 10 CDCDLO CCN(CC)c1ccc(C[NH+]2CC(NC(C)=O)C2)cc1 ZINC000297414381 371988626 /nfs/dbraw/zinc/98/86/26/371988626.db2.gz LUOVWLUNDAJCDF-UHFFFAOYSA-N 1 2 275.396 1.853 20 10 CDCDLO C[N@H+](Cc1c(O)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000132408263 390931952 /nfs/dbraw/zinc/93/19/52/390931952.db2.gz UNWDQEAWRQJLRB-VIFPVBQESA-N 1 2 289.784 1.665 20 10 CDCDLO C[N@@H+](Cc1c(O)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000132408263 390931953 /nfs/dbraw/zinc/93/19/53/390931953.db2.gz UNWDQEAWRQJLRB-VIFPVBQESA-N 1 2 289.784 1.665 20 10 CDCDLO C[N@H+](Cc1c(O)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000132408051 390931973 /nfs/dbraw/zinc/93/19/73/390931973.db2.gz UNWDQEAWRQJLRB-SECBINFHSA-N 1 2 289.784 1.665 20 10 CDCDLO C[N@@H+](Cc1c(O)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000132408051 390931974 /nfs/dbraw/zinc/93/19/74/390931974.db2.gz UNWDQEAWRQJLRB-SECBINFHSA-N 1 2 289.784 1.665 20 10 CDCDLO C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](C)[N@H+]1C ZINC000295511923 391678169 /nfs/dbraw/zinc/67/81/69/391678169.db2.gz FOURYGVUQWQTRQ-DTORHVGOSA-N 1 2 282.315 1.402 20 10 CDCDLO C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](C)[N@@H+]1C ZINC000295511923 391678176 /nfs/dbraw/zinc/67/81/76/391678176.db2.gz FOURYGVUQWQTRQ-DTORHVGOSA-N 1 2 282.315 1.402 20 10 CDCDLO O=C1OC[C@H]2C[N@H+](Cc3cc(F)ccc3O)CCN12 ZINC000361053743 391678769 /nfs/dbraw/zinc/67/87/69/391678769.db2.gz SMWLWRZDWGQCKK-LLVKDONJSA-N 1 2 266.272 1.168 20 10 CDCDLO O=C1OC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)CCN12 ZINC000361053743 391678772 /nfs/dbraw/zinc/67/87/72/391678772.db2.gz SMWLWRZDWGQCKK-LLVKDONJSA-N 1 2 266.272 1.168 20 10 CDCDLO C[N@H+](CCS(C)(=O)=O)Cc1c(O)cccc1Cl ZINC000156086543 261112991 /nfs/dbraw/zinc/11/29/91/261112991.db2.gz DUGNTAQNAAWKRZ-UHFFFAOYSA-N 1 2 277.773 1.522 20 10 CDCDLO C[N@@H+](CCS(C)(=O)=O)Cc1c(O)cccc1Cl ZINC000156086543 261112993 /nfs/dbraw/zinc/11/29/93/261112993.db2.gz DUGNTAQNAAWKRZ-UHFFFAOYSA-N 1 2 277.773 1.522 20 10 CDCDLO CN(C)c1ccc(CNC(=O)CCn2cc[nH+]c2)cc1F ZINC000299679101 522189062 /nfs/dbraw/zinc/18/90/62/522189062.db2.gz RGIAAQJAXWWHHX-UHFFFAOYSA-N 1 2 290.342 1.795 20 10 CDCDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000278284097 523288121 /nfs/dbraw/zinc/28/81/21/523288121.db2.gz UAKXBSRUOGQHBV-NSHDSACASA-N 1 2 296.323 1.920 20 10 CDCDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000278284097 523288130 /nfs/dbraw/zinc/28/81/30/523288130.db2.gz UAKXBSRUOGQHBV-NSHDSACASA-N 1 2 296.323 1.920 20 10 CDCDLO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)CC[S@@]1=O ZINC000277290286 524509698 /nfs/dbraw/zinc/50/96/98/524509698.db2.gz AGLSPWCLBBIZGQ-CFMSYZGJSA-N 1 2 297.376 1.464 20 10 CDCDLO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)CC[S@@]1=O ZINC000277290286 524509705 /nfs/dbraw/zinc/50/97/05/524509705.db2.gz AGLSPWCLBBIZGQ-CFMSYZGJSA-N 1 2 297.376 1.464 20 10 CDCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000265625633 525695691 /nfs/dbraw/zinc/69/56/91/525695691.db2.gz OHNCEXLXYUDQNC-ARNPGYACSA-N 1 2 297.376 1.462 20 10 CDCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000265625633 525695697 /nfs/dbraw/zinc/69/56/97/525695697.db2.gz OHNCEXLXYUDQNC-ARNPGYACSA-N 1 2 297.376 1.462 20 10 CDCDLO COc1c(O)c(C[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000774839117 575245498 /nfs/dbraw/zinc/24/54/98/575245498.db2.gz AYLMZTWFEKKSIO-UHFFFAOYSA-N 1 2 296.323 1.920 20 10 CDCDLO COc1c(O)c(C[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000774839117 575245500 /nfs/dbraw/zinc/24/55/00/575245500.db2.gz AYLMZTWFEKKSIO-UHFFFAOYSA-N 1 2 296.323 1.920 20 10 CDCDLO Cc1ccc(C(=O)OCCn2cc[nH+]c2)c(O)c1O ZINC000771937971 575639282 /nfs/dbraw/zinc/63/92/82/575639282.db2.gz MWRXXTKJJRQEJH-UHFFFAOYSA-N 1 2 262.265 1.460 20 10 CDCDLO COc1cc(O)c(CN2CCn3cc[nH+]c3C2)cc1OC ZINC000768449462 576284743 /nfs/dbraw/zinc/28/47/43/576284743.db2.gz ZHYTYUPMIZSOHY-UHFFFAOYSA-N 1 2 289.335 1.622 20 10 CDCDLO COC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000743472809 576641829 /nfs/dbraw/zinc/64/18/29/576641829.db2.gz KHEQTYZTHMNKET-QWHCGFSZSA-N 1 2 292.379 1.735 20 10 CDCDLO CCN1CC[N@H+](Cc2c(O)cccc2OC)CC1=O ZINC000758016567 577067576 /nfs/dbraw/zinc/06/75/76/577067576.db2.gz XYPJPXNXOILZQN-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO CCN1CC[N@@H+](Cc2c(O)cccc2OC)CC1=O ZINC000758016567 577067578 /nfs/dbraw/zinc/06/75/78/577067578.db2.gz XYPJPXNXOILZQN-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO CCN1CC[N@H+](Cc2cc3c(cc2O)CCCC3)CC1=O ZINC000758269994 577093326 /nfs/dbraw/zinc/09/33/26/577093326.db2.gz ZJWNUVIIUUELME-UHFFFAOYSA-N 1 2 288.391 1.935 20 10 CDCDLO CCN1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)CC1=O ZINC000758269994 577093328 /nfs/dbraw/zinc/09/33/28/577093328.db2.gz ZJWNUVIIUUELME-UHFFFAOYSA-N 1 2 288.391 1.935 20 10 CDCDLO Cc1ccc2[nH+]cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)n2c1 ZINC000151375220 630495515 /nfs/dbraw/zinc/49/55/15/630495515.db2.gz JRIAXWSYUPTINA-UHFFFAOYSA-N 1 2 298.302 1.077 20 10 CDCDLO C[C@@H]([NH2+]CC1(O)CCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978156 1173219314 /nfs/dbraw/zinc/21/93/14/1173219314.db2.gz LNLUQVXIUNGNQP-SECBINFHSA-N 1 2 289.339 1.138 20 10 CDCDLO CC[C@H]([NH2+]C[C@H](C)OC)c1cccc(-c2nn[nH]n2)c1O ZINC001590469979 1173422704 /nfs/dbraw/zinc/42/27/04/1173422704.db2.gz NTCMCNZCYDGLEA-CABZTGNLSA-N 1 2 291.355 1.648 20 10 CDCDLO CC[C@H]([NH2+]CCF)c1cccc(-c2nn[nH]n2)c1O ZINC001604054956 1175735857 /nfs/dbraw/zinc/73/58/57/1175735857.db2.gz JWGXJAZJVPLGGA-JTQLQIEISA-N 1 2 265.292 1.583 20 10 CDCDLO O=C(/C=C\c1ccc(O)c(O)c1)NCCn1cc[nH+]c1 ZINC000204527157 1164515211 /nfs/dbraw/zinc/51/52/11/1164515211.db2.gz NAJHBCJKTHTLPV-RQOWECAXSA-N 1 2 273.292 1.124 20 10 CDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc(C)no2)cc1 ZINC000844398854 796513254 /nfs/dbraw/zinc/51/32/54/796513254.db2.gz DGMJNMAWHAXELU-UHFFFAOYSA-N 1 2 290.367 1.955 20 10 CDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc(C)no2)cc1 ZINC000844398854 796513261 /nfs/dbraw/zinc/51/32/61/796513261.db2.gz DGMJNMAWHAXELU-UHFFFAOYSA-N 1 2 290.367 1.955 20 10 CDCDLO COc1cccc(O)c1C[NH2+]Cc1nc(N(C)C)no1 ZINC000789554009 797394106 /nfs/dbraw/zinc/39/41/06/797394106.db2.gz FJSJQOKXLCISIT-UHFFFAOYSA-N 1 2 278.312 1.140 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c1O ZINC000783729055 907548111 /nfs/dbraw/zinc/54/81/11/907548111.db2.gz LVOVRARILYGKPB-LLVKDONJSA-N 1 2 278.352 1.453 20 10 CDCDLO CCOc1cccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c1O ZINC000783729055 907548121 /nfs/dbraw/zinc/54/81/21/907548121.db2.gz LVOVRARILYGKPB-LLVKDONJSA-N 1 2 278.352 1.453 20 10 CDCDLO CCOC(=O)C[N@H+](CC)Cc1cc(OC)ccc1O ZINC000179829658 915369865 /nfs/dbraw/zinc/36/98/65/915369865.db2.gz YWJFSJJYMNMQIF-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CCOC(=O)C[N@@H+](CC)Cc1cc(OC)ccc1O ZINC000179829658 915369887 /nfs/dbraw/zinc/36/98/87/915369887.db2.gz YWJFSJJYMNMQIF-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CN(C)c1ccc(/C=C/C(=O)NC2C[NH+](C)C2)cc1 ZINC001180129852 916148625 /nfs/dbraw/zinc/14/86/25/916148625.db2.gz KCJQZHVIAJKKGQ-RMKNXTFCSA-N 1 2 259.353 1.196 20 10 CDCDLO COC(=O)CC1C[NH+](Cc2c(O)cccc2F)C1 ZINC001137837608 936419147 /nfs/dbraw/zinc/41/91/47/936419147.db2.gz NLMMKYGKNTXXTL-UHFFFAOYSA-N 1 2 253.273 1.526 20 10 CDCDLO O=C(C1CC1)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137837885 936419696 /nfs/dbraw/zinc/41/96/96/936419696.db2.gz YCZJABODPJOSOZ-UHFFFAOYSA-N 1 2 278.327 1.586 20 10 CDCDLO Oc1ccc(F)cc1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000827118630 936490336 /nfs/dbraw/zinc/49/03/36/936490336.db2.gz DOWVMNKVVXOJNW-AWEZNQCLSA-N 1 2 280.343 1.438 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCSC[C@@H]2CO)c1O ZINC000388399952 936642849 /nfs/dbraw/zinc/64/28/49/936642849.db2.gz VCNKBJLXRLVMEH-LBPRGKRZSA-N 1 2 299.367 1.644 20 10 CDCDLO O=C1C[N@H+](Cc2cc(F)ccc2O)C[C@H]2CCCN12 ZINC001140058463 936674859 /nfs/dbraw/zinc/67/48/59/936674859.db2.gz AZLYQNPJHNPVJC-GFCCVEGCSA-N 1 2 264.300 1.338 20 10 CDCDLO O=C1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]2CCCN12 ZINC001140058463 936674861 /nfs/dbraw/zinc/67/48/61/936674861.db2.gz AZLYQNPJHNPVJC-GFCCVEGCSA-N 1 2 264.300 1.338 20 10 CDCDLO C[C@@]1(CO)C[N@H+](Cc2c(O)cc(F)cc2F)CC[C@H]1O ZINC001140582869 936727155 /nfs/dbraw/zinc/72/71/55/936727155.db2.gz OHBUBKKRJYRBII-KGLIPLIRSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@@]1(CO)C[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@H]1O ZINC001140582869 936727156 /nfs/dbraw/zinc/72/71/56/936727156.db2.gz OHBUBKKRJYRBII-KGLIPLIRSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@H]1C(=O)NCC[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076674 936809756 /nfs/dbraw/zinc/80/97/56/936809756.db2.gz YXQMDSJELQUGTR-ZDUSSCGKSA-N 1 2 299.418 1.706 20 10 CDCDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076674 936809758 /nfs/dbraw/zinc/80/97/58/936809758.db2.gz YXQMDSJELQUGTR-ZDUSSCGKSA-N 1 2 299.418 1.706 20 10 CDCDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076673 936809766 /nfs/dbraw/zinc/80/97/66/936809766.db2.gz YXQMDSJELQUGTR-CYBMUJFWSA-N 1 2 299.418 1.706 20 10 CDCDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076673 936809768 /nfs/dbraw/zinc/80/97/68/936809768.db2.gz YXQMDSJELQUGTR-CYBMUJFWSA-N 1 2 299.418 1.706 20 10 CDCDLO COc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)c(O)cc1C ZINC000840135204 936940325 /nfs/dbraw/zinc/94/03/25/936940325.db2.gz RQMFYKKQHGZMSE-SNVBAGLBSA-N 1 2 264.325 1.030 20 10 CDCDLO COc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(O)cc1C ZINC000840135204 936940326 /nfs/dbraw/zinc/94/03/26/936940326.db2.gz RQMFYKKQHGZMSE-SNVBAGLBSA-N 1 2 264.325 1.030 20 10 CDCDLO C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000841299901 936991279 /nfs/dbraw/zinc/99/12/79/936991279.db2.gz JREXHJYHLIPRAN-NEPJUHHUSA-N 1 2 292.383 1.500 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1COCCO1 ZINC000776033440 925928716 /nfs/dbraw/zinc/92/87/16/925928716.db2.gz HRKMYASKOIGKSN-JTQLQIEISA-N 1 2 275.707 1.690 20 10 CDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2cnon2)cc1 ZINC000852211681 927741221 /nfs/dbraw/zinc/74/12/21/927741221.db2.gz OEKAGDHAYKHZDY-UHFFFAOYSA-N 1 2 276.340 1.646 20 10 CDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cnon2)cc1 ZINC000852211681 927741225 /nfs/dbraw/zinc/74/12/25/927741225.db2.gz OEKAGDHAYKHZDY-UHFFFAOYSA-N 1 2 276.340 1.646 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000862755901 929464557 /nfs/dbraw/zinc/46/45/57/929464557.db2.gz MVUQJYDIVDUBJG-LBPRGKRZSA-N 1 2 285.347 1.776 20 10 CDCDLO COCCCN(C)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883018241 930126825 /nfs/dbraw/zinc/12/68/25/930126825.db2.gz VFUKYAUMMZXOOI-UHFFFAOYSA-N 1 2 288.338 1.728 20 10 CDCDLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1CN(C)CCO1 ZINC000883051691 930133657 /nfs/dbraw/zinc/13/36/57/930133657.db2.gz KMIRWPJCKWDMFM-ZANVPECISA-N 1 2 286.322 1.479 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000816889317 930380197 /nfs/dbraw/zinc/38/01/97/930380197.db2.gz UFJVAAXAYIHUFY-ZDUSSCGKSA-N 1 2 285.347 1.810 20 10 CDCDLO CCOc1cccc(CN2CC3(CC[N@@H+]3C)C2)c1O ZINC001275271407 931719954 /nfs/dbraw/zinc/71/99/54/931719954.db2.gz UAUVWTRZMWEZGJ-UHFFFAOYSA-N 1 2 262.353 1.681 20 10 CDCDLO CCOc1cccc(CN2CC3(CC[N@H+]3C)C2)c1O ZINC001275271407 931719959 /nfs/dbraw/zinc/71/99/59/931719959.db2.gz UAUVWTRZMWEZGJ-UHFFFAOYSA-N 1 2 262.353 1.681 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H](CO)O1 ZINC000249509480 934938540 /nfs/dbraw/zinc/93/85/40/934938540.db2.gz ZKWDGRYFFMKPII-SKDRFNHKSA-N 1 2 255.289 1.113 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H](CO)O1 ZINC000249509480 934938544 /nfs/dbraw/zinc/93/85/44/934938544.db2.gz ZKWDGRYFFMKPII-SKDRFNHKSA-N 1 2 255.289 1.113 20 10 CDCDLO Cc1cc(C[N@@H+]2CCNC(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000119481922 935730794 /nfs/dbraw/zinc/73/07/94/935730794.db2.gz HLQQEXHMSKQMST-UHFFFAOYSA-N 1 2 276.380 1.930 20 10 CDCDLO Cc1cc(C[N@H+]2CCNC(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000119481922 935730796 /nfs/dbraw/zinc/73/07/96/935730796.db2.gz HLQQEXHMSKQMST-UHFFFAOYSA-N 1 2 276.380 1.930 20 10 CDCDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204328881 939756605 /nfs/dbraw/zinc/75/66/05/939756605.db2.gz RMULTFGQWMJURN-AWEZNQCLSA-N 1 2 287.407 1.949 20 10 CDCDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204328881 939756606 /nfs/dbraw/zinc/75/66/06/939756606.db2.gz RMULTFGQWMJURN-AWEZNQCLSA-N 1 2 287.407 1.949 20 10 CDCDLO CC(=O)N1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1C ZINC001232263389 943194412 /nfs/dbraw/zinc/19/44/12/943194412.db2.gz OYRDFVFDQRRESA-VIFPVBQESA-N 1 2 298.770 1.804 20 10 CDCDLO CC(=O)N1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1C ZINC001232263389 943194418 /nfs/dbraw/zinc/19/44/18/943194418.db2.gz OYRDFVFDQRRESA-VIFPVBQESA-N 1 2 298.770 1.804 20 10 CDCDLO CNC(=O)C[N@H+](C)Cc1cccc(C(F)(F)F)c1O ZINC001233415870 943581247 /nfs/dbraw/zinc/58/12/47/943581247.db2.gz LQEYWOGBFRDURL-UHFFFAOYSA-N 1 2 276.258 1.589 20 10 CDCDLO CNC(=O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1O ZINC001233415870 943581249 /nfs/dbraw/zinc/58/12/49/943581249.db2.gz LQEYWOGBFRDURL-UHFFFAOYSA-N 1 2 276.258 1.589 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)cc1O ZINC001233483401 943592995 /nfs/dbraw/zinc/59/29/95/943592995.db2.gz YHMFJDQWIRYKGV-STQMWFEESA-N 1 2 289.278 1.048 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)cc1O ZINC001233483401 943593001 /nfs/dbraw/zinc/59/30/01/943593001.db2.gz YHMFJDQWIRYKGV-STQMWFEESA-N 1 2 289.278 1.048 20 10 CDCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233487679 943595503 /nfs/dbraw/zinc/59/55/03/943595503.db2.gz NYPZHTOIUXBOFH-IPURGOFSSA-N 1 2 293.319 1.329 20 10 CDCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233487679 943595510 /nfs/dbraw/zinc/59/55/10/943595510.db2.gz NYPZHTOIUXBOFH-IPURGOFSSA-N 1 2 293.319 1.329 20 10 CDCDLO [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001235993480 944358443 /nfs/dbraw/zinc/35/84/43/944358443.db2.gz SRVDHLFXDHKPLJ-BXUZGUMPSA-N 1 2 262.309 1.014 20 10 CDCDLO [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001235993480 944358449 /nfs/dbraw/zinc/35/84/49/944358449.db2.gz SRVDHLFXDHKPLJ-BXUZGUMPSA-N 1 2 262.309 1.014 20 10 CDCDLO COCCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179896223 357230023 /nfs/dbraw/zinc/23/00/23/357230023.db2.gz BDTLEELCUNMDTD-UHFFFAOYSA-N 1 2 268.332 1.295 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000072952753 357859533 /nfs/dbraw/zinc/85/95/33/357859533.db2.gz JBNBNAVZVBNOIY-AWEZNQCLSA-N 1 2 293.363 1.936 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000072952753 357859535 /nfs/dbraw/zinc/85/95/35/357859535.db2.gz JBNBNAVZVBNOIY-AWEZNQCLSA-N 1 2 293.363 1.936 20 10 CDCDLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(F)c(F)c1O ZINC000187908909 299275725 /nfs/dbraw/zinc/27/57/25/299275725.db2.gz SLPFXDZAFDBTRH-QMMMGPOBSA-N 1 2 284.306 1.847 20 10 CDCDLO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C ZINC000269364357 364184775 /nfs/dbraw/zinc/18/47/75/364184775.db2.gz QBCSMSLUBLNJAF-VIFPVBQESA-N 1 2 295.335 1.941 20 10 CDCDLO CCN1CC[N@H+](Cc2cc(OC)c(OC)cc2O)CC1=O ZINC000273375976 365489878 /nfs/dbraw/zinc/48/98/78/365489878.db2.gz FZLOIXGYLQJGOC-UHFFFAOYSA-N 1 2 294.351 1.074 20 10 CDCDLO CCN1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)CC1=O ZINC000273375976 365489882 /nfs/dbraw/zinc/48/98/82/365489882.db2.gz FZLOIXGYLQJGOC-UHFFFAOYSA-N 1 2 294.351 1.074 20 10 CDCDLO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCNC1=O ZINC000282224188 367783549 /nfs/dbraw/zinc/78/35/49/367783549.db2.gz FDZLTLCAIYJTLU-ZDUSSCGKSA-N 1 2 294.326 1.444 20 10 CDCDLO CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCNC1=O ZINC000282224188 367783557 /nfs/dbraw/zinc/78/35/57/367783557.db2.gz FDZLTLCAIYJTLU-ZDUSSCGKSA-N 1 2 294.326 1.444 20 10 CDCDLO CC1(C)CNC(=O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000282868006 368078235 /nfs/dbraw/zinc/07/82/35/368078235.db2.gz XVLUQMNFVNMBMD-UHFFFAOYSA-N 1 2 268.744 1.756 20 10 CDCDLO CC1(C)CNC(=O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000282868006 368078240 /nfs/dbraw/zinc/07/82/40/368078240.db2.gz XVLUQMNFVNMBMD-UHFFFAOYSA-N 1 2 268.744 1.756 20 10 CDCDLO CC(=O)NC1C[NH+](Cc2cc(Br)ccc2O)C1 ZINC000297486046 371995556 /nfs/dbraw/zinc/99/55/56/371995556.db2.gz SQZQYDYHSXXDGC-UHFFFAOYSA-N 1 2 299.168 1.475 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC(=O)N1 ZINC000294685814 378642813 /nfs/dbraw/zinc/64/28/13/378642813.db2.gz AHMYTNRIRVDGAI-CQSZACIVSA-N 1 2 287.407 1.997 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC(=O)N1 ZINC000294685814 378642815 /nfs/dbraw/zinc/64/28/15/378642815.db2.gz AHMYTNRIRVDGAI-CQSZACIVSA-N 1 2 287.407 1.997 20 10 CDCDLO COCC[N@H+](Cc1c(O)cccc1Cl)[C@H](C)C(N)=O ZINC000119929692 390860583 /nfs/dbraw/zinc/86/05/83/390860583.db2.gz FDSARTYSOWZZPA-SECBINFHSA-N 1 2 286.759 1.368 20 10 CDCDLO COCC[N@@H+](Cc1c(O)cccc1Cl)[C@H](C)C(N)=O ZINC000119929692 390860585 /nfs/dbraw/zinc/86/05/85/390860585.db2.gz FDSARTYSOWZZPA-SECBINFHSA-N 1 2 286.759 1.368 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+](CC(=O)OC)C2CC2)c1 ZINC000271323852 482835026 /nfs/dbraw/zinc/83/50/26/482835026.db2.gz ZHCXIPFKGQRAJY-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+](CC(=O)OC)C2CC2)c1 ZINC000271323852 482835031 /nfs/dbraw/zinc/83/50/31/482835031.db2.gz ZHCXIPFKGQRAJY-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364920501 526686589 /nfs/dbraw/zinc/68/65/89/526686589.db2.gz ZERSGVMZWZDYAH-LLVKDONJSA-N 1 2 287.319 1.173 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000773750389 575837689 /nfs/dbraw/zinc/83/76/89/575837689.db2.gz YRARLOIERITTQP-GFCCVEGCSA-N 1 2 261.369 1.463 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000773750389 575837690 /nfs/dbraw/zinc/83/76/90/575837690.db2.gz YRARLOIERITTQP-GFCCVEGCSA-N 1 2 261.369 1.463 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000773889560 575843309 /nfs/dbraw/zinc/84/33/09/575843309.db2.gz XSSIPQJPDSKTHQ-HUUCEWRRSA-N 1 2 292.379 1.251 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000773889560 575843310 /nfs/dbraw/zinc/84/33/10/575843310.db2.gz XSSIPQJPDSKTHQ-HUUCEWRRSA-N 1 2 292.379 1.251 20 10 CDCDLO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@@H](C)C[N@@H+]1C ZINC000768845957 576312871 /nfs/dbraw/zinc/31/28/71/576312871.db2.gz LEUBKIZYJSGQEV-BDAKNGLRSA-N 1 2 254.355 1.618 20 10 CDCDLO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@@H](C)C[N@H+]1C ZINC000768845957 576312872 /nfs/dbraw/zinc/31/28/72/576312872.db2.gz LEUBKIZYJSGQEV-BDAKNGLRSA-N 1 2 254.355 1.618 20 10 CDCDLO Cc1ccc(O)c(CN2CC[NH+](CC[S@](C)=O)CC2)c1 ZINC000769480755 576357448 /nfs/dbraw/zinc/35/74/48/576357448.db2.gz PCFZHSHFCYIYFG-FQEVSTJZSA-N 1 2 296.436 1.197 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(F)cc(F)c1O ZINC000756568398 576996281 /nfs/dbraw/zinc/99/62/81/576996281.db2.gz DRTQIKDJKYSATF-ZYHUDNBSSA-N 1 2 299.365 1.567 20 10 CDCDLO COC[C@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756577935 576996785 /nfs/dbraw/zinc/99/67/85/576996785.db2.gz SWXSDTZMAUIPGP-AMIZOPFISA-N 1 2 275.295 1.718 20 10 CDCDLO O=C1CC2(CN1)CC[NH+](Cc1cc(F)cc(F)c1O)CC2 ZINC000894032609 618250589 /nfs/dbraw/zinc/25/05/89/618250589.db2.gz OEOBOXIIIPCOBB-UHFFFAOYSA-N 1 2 296.317 1.773 20 10 CDCDLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000895328915 619566938 /nfs/dbraw/zinc/56/69/38/619566938.db2.gz HLPLKCCSVYVYDK-SDBXPKJASA-N 1 2 289.734 1.502 20 10 CDCDLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000895328915 619566941 /nfs/dbraw/zinc/56/69/41/619566941.db2.gz HLPLKCCSVYVYDK-SDBXPKJASA-N 1 2 289.734 1.502 20 10 CDCDLO CC[N@H+](CCC(=O)NC)Cc1cc(F)cc(F)c1O ZINC000897708973 621082228 /nfs/dbraw/zinc/08/22/28/621082228.db2.gz GWMCFFGPXITCOZ-UHFFFAOYSA-N 1 2 272.295 1.628 20 10 CDCDLO CC[N@@H+](CCC(=O)NC)Cc1cc(F)cc(F)c1O ZINC000897708973 621082230 /nfs/dbraw/zinc/08/22/30/621082230.db2.gz GWMCFFGPXITCOZ-UHFFFAOYSA-N 1 2 272.295 1.628 20 10 CDCDLO COc1ccc(O)c(CNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000806858176 1162712047 /nfs/dbraw/zinc/71/20/47/1162712047.db2.gz FMRLFGSOSVSOJW-UHFFFAOYSA-N 1 2 275.308 1.373 20 10 CDCDLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(N)cc1 ZINC000877074946 1165971231 /nfs/dbraw/zinc/97/12/31/1165971231.db2.gz VOUKBYZBQBJAIY-NSHDSACASA-N 1 2 270.336 1.691 20 10 CDCDLO CC[C@@H]([NH2+]CC[C@H](C)O)c1cccc(-c2nn[nH]n2)c1O ZINC001590470974 1173422392 /nfs/dbraw/zinc/42/23/92/1173422392.db2.gz TVCGWORKKRCTFI-JOYOIKCWSA-N 1 2 291.355 1.384 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cccc(-c2nn[nH]n2)c1O ZINC001603695268 1175602076 /nfs/dbraw/zinc/60/20/76/1175602076.db2.gz JPFGAOHEZUFAJK-LPEHRKFASA-N 1 2 291.355 1.382 20 10 CDCDLO CC[C@@H](O)CC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604067149 1175746337 /nfs/dbraw/zinc/74/63/37/1175746337.db2.gz VCYMWRBYXJIHNE-NXEZZACHSA-N 1 2 291.355 1.384 20 10 CDCDLO OC[C@@]12C[C@@H]1C[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC000783733701 805085597 /nfs/dbraw/zinc/08/55/97/805085597.db2.gz ITSIHYQXHTVEII-RNCFNFMXSA-N 1 2 271.719 1.999 20 10 CDCDLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC000783733701 805085607 /nfs/dbraw/zinc/08/56/07/805085607.db2.gz ITSIHYQXHTVEII-RNCFNFMXSA-N 1 2 271.719 1.999 20 10 CDCDLO CCOc1ccccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000037874975 805090088 /nfs/dbraw/zinc/09/00/88/805090088.db2.gz OHYLLLFNLIXQRW-CYBMUJFWSA-N 1 2 280.368 1.190 20 10 CDCDLO O=C(NCc1ccccc1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816912480 812054338 /nfs/dbraw/zinc/05/43/38/812054338.db2.gz ZGBXXMRJZNIUBB-GFCCVEGCSA-N 1 2 271.320 1.468 20 10 CDCDLO C[C@@H]([NH3+])C[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000863654027 812438385 /nfs/dbraw/zinc/43/83/85/812438385.db2.gz SFZVTHNPKBMMFJ-SSDOTTSWSA-N 1 2 273.720 1.733 20 10 CDCDLO C[C@@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000863654027 812438393 /nfs/dbraw/zinc/43/83/93/812438393.db2.gz SFZVTHNPKBMMFJ-SSDOTTSWSA-N 1 2 273.720 1.733 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000878970197 813354983 /nfs/dbraw/zinc/35/49/83/813354983.db2.gz KFPSYRUUJKDADX-AWEZNQCLSA-N 1 2 250.342 1.557 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000878970197 813354993 /nfs/dbraw/zinc/35/49/93/813354993.db2.gz KFPSYRUUJKDADX-AWEZNQCLSA-N 1 2 250.342 1.557 20 10 CDCDLO COc1ccc(O)c(C[NH2+][C@H](C)c2nc(C)no2)c1 ZINC000792176730 813494756 /nfs/dbraw/zinc/49/47/56/813494756.db2.gz JXGSOAYOPZVPBH-MRVPVSSYSA-N 1 2 263.297 1.943 20 10 CDCDLO C[C@H]([NH2+]CCO)c1cc(Br)cc(F)c1O ZINC000134910853 814666545 /nfs/dbraw/zinc/66/65/45/814666545.db2.gz FSPOTOMGJQAZGY-LURJTMIESA-N 1 2 278.121 1.937 20 10 CDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nonc2C)c1 ZINC000872135971 816787621 /nfs/dbraw/zinc/78/76/21/816787621.db2.gz JTOXZEZYKNJNGQ-MRVPVSSYSA-N 1 2 291.307 1.721 20 10 CDCDLO COCCOCC[NH2+]Cc1cccc(Cl)c1O ZINC000124736338 817473261 /nfs/dbraw/zinc/47/32/61/817473261.db2.gz YLMNVZYMJMZJGN-UHFFFAOYSA-N 1 2 259.733 1.798 20 10 CDCDLO OCCC[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC001138123722 936473070 /nfs/dbraw/zinc/47/30/70/936473070.db2.gz IYEMIXQKDHCZEH-UHFFFAOYSA-N 1 2 268.332 1.031 20 10 CDCDLO OCCCN1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138123722 936473075 /nfs/dbraw/zinc/47/30/75/936473075.db2.gz IYEMIXQKDHCZEH-UHFFFAOYSA-N 1 2 268.332 1.031 20 10 CDCDLO C[C@H]1CN(C2C[NH+](Cc3cc(F)ccc3O)C2)C[C@H](C)O1 ZINC001140056420 936674459 /nfs/dbraw/zinc/67/44/59/936674459.db2.gz WJNPTMKILMPJCA-RYUDHWBXSA-N 1 2 294.370 1.825 20 10 CDCDLO C[NH+](C)C[C@H]1COCCN1Cc1c(O)cc(F)cc1F ZINC001140583997 936727573 /nfs/dbraw/zinc/72/75/73/936727573.db2.gz BMAYYGFCWJUXBC-NSHDSACASA-N 1 2 286.322 1.433 20 10 CDCDLO Cc1c(O)ccc(C[N@H+](C)Cc2ncccn2)c1O ZINC001140742692 936748527 /nfs/dbraw/zinc/74/85/27/936748527.db2.gz VOLONQHTKCCLEN-UHFFFAOYSA-N 1 2 259.309 1.828 20 10 CDCDLO Cc1c(O)ccc(C[N@@H+](C)Cc2ncccn2)c1O ZINC001140742692 936748529 /nfs/dbraw/zinc/74/85/29/936748529.db2.gz VOLONQHTKCCLEN-UHFFFAOYSA-N 1 2 259.309 1.828 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC3(C2)CCCO3)c(OC)c1 ZINC001141026129 936794369 /nfs/dbraw/zinc/79/43/69/936794369.db2.gz DYDYXZSVNJXWAS-UHFFFAOYSA-N 1 2 279.336 1.774 20 10 CDCDLO Oc1cc(F)c(F)cc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001142508562 937024743 /nfs/dbraw/zinc/02/47/43/937024743.db2.gz CVMVUXZWPOYNCK-GFCCVEGCSA-N 1 2 298.333 1.577 20 10 CDCDLO C[N@H+](CC(N)=O)Cc1cccc(Br)c1O ZINC000132598284 930251512 /nfs/dbraw/zinc/25/15/12/930251512.db2.gz TWWNWCYVQBEVHH-UHFFFAOYSA-N 1 2 273.130 1.072 20 10 CDCDLO C[N@@H+](CC(N)=O)Cc1cccc(Br)c1O ZINC000132598284 930251521 /nfs/dbraw/zinc/25/15/21/930251521.db2.gz TWWNWCYVQBEVHH-UHFFFAOYSA-N 1 2 273.130 1.072 20 10 CDCDLO CN1CCC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001275275294 931720113 /nfs/dbraw/zinc/72/01/13/931720113.db2.gz FQJBAILSWXRART-UHFFFAOYSA-N 1 2 252.745 1.936 20 10 CDCDLO COc1ccc(O)c(CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000845834480 931914323 /nfs/dbraw/zinc/91/43/23/931914323.db2.gz PJGGRZYVMKRWDZ-LLVKDONJSA-N 1 2 289.335 1.865 20 10 CDCDLO CCOc1cccc(CN2CCC(F)(F)[C@@H]([NH3+])C2)c1O ZINC001206654762 937653634 /nfs/dbraw/zinc/65/36/34/937653634.db2.gz DAYFOVICOVEOGQ-LBPRGKRZSA-N 1 2 286.322 1.959 20 10 CDCDLO Cc1ncc(C[N@@H+](C)Cc2ccc(O)c(O)c2)cn1 ZINC001203880688 939710881 /nfs/dbraw/zinc/71/08/81/939710881.db2.gz WFWJIUWRECOBRL-UHFFFAOYSA-N 1 2 259.309 1.828 20 10 CDCDLO Cc1ncc(C[N@H+](C)Cc2ccc(O)c(O)c2)cn1 ZINC001203880688 939710882 /nfs/dbraw/zinc/71/08/82/939710882.db2.gz WFWJIUWRECOBRL-UHFFFAOYSA-N 1 2 259.309 1.828 20 10 CDCDLO C[NH+](C)CCN1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000166373521 940342770 /nfs/dbraw/zinc/34/27/70/940342770.db2.gz GLEHICQXOKXLNP-UHFFFAOYSA-N 1 2 281.375 1.211 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3cncnc3)CC2)cc1 ZINC000179529957 940828820 /nfs/dbraw/zinc/82/88/20/940828820.db2.gz PSTXKRXWBHVQKZ-UHFFFAOYSA-N 1 2 284.363 1.807 20 10 CDCDLO O=C([O-])c1ccc(O)c(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001231568933 942932803 /nfs/dbraw/zinc/93/28/03/942932803.db2.gz RTHKUWHLTHTQBL-UHFFFAOYSA-N 1 2 290.363 1.761 20 10 CDCDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231849530 943029387 /nfs/dbraw/zinc/02/93/87/943029387.db2.gz VFSZZUBUMXOTHF-CQSZACIVSA-N 1 2 292.379 1.899 20 10 CDCDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231849530 943029392 /nfs/dbraw/zinc/02/93/92/943029392.db2.gz VFSZZUBUMXOTHF-CQSZACIVSA-N 1 2 292.379 1.899 20 10 CDCDLO C[NH+](C)C1(C)CN(Cc2ccc(F)c(F)c2O)C1 ZINC001233078384 943486574 /nfs/dbraw/zinc/48/65/74/943486574.db2.gz UJPGJUHPKFEWEU-UHFFFAOYSA-N 1 2 256.296 1.806 20 10 CDCDLO Cc1ccc(O)c(C[N@@H+]2CCn3cnc(CO)c3C2)c1 ZINC001235502139 944175557 /nfs/dbraw/zinc/17/55/57/944175557.db2.gz PQJLONPHJAGRCG-UHFFFAOYSA-N 1 2 273.336 1.405 20 10 CDCDLO Cc1ccc(O)c(C[N@H+]2CCn3cnc(CO)c3C2)c1 ZINC001235502139 944175558 /nfs/dbraw/zinc/17/55/58/944175558.db2.gz PQJLONPHJAGRCG-UHFFFAOYSA-N 1 2 273.336 1.405 20 10 CDCDLO Cc1c(O)ccc(C[NH+]2C[C@@H](C)N[C@H](C)C2)c1O ZINC001236575974 944513391 /nfs/dbraw/zinc/51/33/91/944513391.db2.gz FTJPRFWLPKHORH-NXEZZACHSA-N 1 2 250.342 1.588 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1nnc2n1CCOC2 ZINC001262031428 946388741 /nfs/dbraw/zinc/38/87/41/946388741.db2.gz RFVUEFXOGHLWSX-UHFFFAOYSA-N 1 2 296.277 1.082 20 10 CDCDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H]1CCOC1 ZINC001308354931 956520278 /nfs/dbraw/zinc/52/02/78/956520278.db2.gz UFWVTFMRFMNMKX-PELKAZGASA-N 1 2 289.734 1.672 20 10 CDCDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308673188 956558569 /nfs/dbraw/zinc/55/85/69/956558569.db2.gz VVYYREFBBQOGNC-SECBINFHSA-N 1 2 285.294 1.174 20 10 CDCDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308673188 956558580 /nfs/dbraw/zinc/55/85/80/956558580.db2.gz VVYYREFBBQOGNC-SECBINFHSA-N 1 2 285.294 1.174 20 10 CDCDLO COCC[N@H+]1[C@H](C)CN(C(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC001351036333 966838792 /nfs/dbraw/zinc/83/87/92/966838792.db2.gz YMKKCVRKJLTYLL-PHIMTYICSA-N 1 2 298.408 1.635 20 10 CDCDLO COCC[N@@H+]1[C@H](C)CN(C(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC001351036333 966838796 /nfs/dbraw/zinc/83/87/96/966838796.db2.gz YMKKCVRKJLTYLL-PHIMTYICSA-N 1 2 298.408 1.635 20 10 CDCDLO CN(C)c1ccc(CNC(=O)NCc2[nH+]ccn2C)cc1 ZINC000264069758 362956943 /nfs/dbraw/zinc/95/69/43/362956943.db2.gz MBWYPXZNAAPWIQ-UHFFFAOYSA-N 1 2 287.367 1.486 20 10 CDCDLO CNC(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000042560625 357072367 /nfs/dbraw/zinc/07/23/67/357072367.db2.gz WEZUJKBZXFJNJS-LURJTMIESA-N 1 2 277.151 1.923 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(Cl)c1O ZINC000180037312 357237843 /nfs/dbraw/zinc/23/78/43/357237843.db2.gz KTPBATJDIMNBBP-LLVKDONJSA-N 1 2 268.744 1.756 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000180037312 357237848 /nfs/dbraw/zinc/23/78/48/357237848.db2.gz KTPBATJDIMNBBP-LLVKDONJSA-N 1 2 268.744 1.756 20 10 CDCDLO C[C@@H](O)C(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180497758 357273043 /nfs/dbraw/zinc/27/30/43/357273043.db2.gz NLLYBOKYHAOPTP-SNVBAGLBSA-N 1 2 298.770 1.071 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)c1O ZINC000189295500 357993642 /nfs/dbraw/zinc/99/36/42/357993642.db2.gz IELNKMWZJAJUBM-VIFPVBQESA-N 1 2 294.326 1.444 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCNC(=O)[C@@H]2C)c1O ZINC000189295500 357993643 /nfs/dbraw/zinc/99/36/43/357993643.db2.gz IELNKMWZJAJUBM-VIFPVBQESA-N 1 2 294.326 1.444 20 10 CDCDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000282660996 367979132 /nfs/dbraw/zinc/97/91/32/367979132.db2.gz GRMLOMDTZRMPPQ-SNVBAGLBSA-N 1 2 289.784 1.665 20 10 CDCDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000282660996 367979138 /nfs/dbraw/zinc/97/91/38/367979138.db2.gz GRMLOMDTZRMPPQ-SNVBAGLBSA-N 1 2 289.784 1.665 20 10 CDCDLO COc1cccc(C[N@@H+]2CCOC[C@]23CCOC3)c1O ZINC000195013816 375974275 /nfs/dbraw/zinc/97/42/75/375974275.db2.gz RSQSJXCPVFAFBG-OAHLLOKOSA-N 1 2 279.336 1.392 20 10 CDCDLO COc1cccc(C[N@H+]2CCOC[C@]23CCOC3)c1O ZINC000195013816 375974280 /nfs/dbraw/zinc/97/42/80/375974280.db2.gz RSQSJXCPVFAFBG-OAHLLOKOSA-N 1 2 279.336 1.392 20 10 CDCDLO CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cccc(Cl)c1O ZINC000296000691 378706675 /nfs/dbraw/zinc/70/66/75/378706675.db2.gz QHQXPXMHBQELLV-IJLUTSLNSA-N 1 2 271.744 1.846 20 10 CDCDLO COc1c(O)c(C[N@@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278186988 521870856 /nfs/dbraw/zinc/87/08/56/521870856.db2.gz HOCZWPLZNSPFBO-SECBINFHSA-N 1 2 282.296 1.530 20 10 CDCDLO COc1c(O)c(C[N@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278186988 521870863 /nfs/dbraw/zinc/87/08/63/521870863.db2.gz HOCZWPLZNSPFBO-SECBINFHSA-N 1 2 282.296 1.530 20 10 CDCDLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879889 523895948 /nfs/dbraw/zinc/89/59/48/523895948.db2.gz NLYUPQVJKYLVSJ-NSHDSACASA-N 1 2 295.335 1.798 20 10 CDCDLO Nc1ccc(CCNC(=O)CCn2cc[nH+]c2)cc1 ZINC000063129853 527479167 /nfs/dbraw/zinc/47/91/67/527479167.db2.gz WKVPJYZMKNJWGE-UHFFFAOYSA-N 1 2 258.325 1.214 20 10 CDCDLO OC[C@@]1(F)CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000289856173 527599753 /nfs/dbraw/zinc/59/97/53/527599753.db2.gz QGYWWGUHGVLOJT-CYBMUJFWSA-N 1 2 257.280 1.828 20 10 CDCDLO OC[C@@]1(F)CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000289856173 527599763 /nfs/dbraw/zinc/59/97/63/527599763.db2.gz QGYWWGUHGVLOJT-CYBMUJFWSA-N 1 2 257.280 1.828 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2n[nH]c(=O)[nH]2)cc1 ZINC000774545897 575213693 /nfs/dbraw/zinc/21/36/93/575213693.db2.gz BNFVREYCRWLFQG-UHFFFAOYSA-N 1 2 289.383 1.989 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2n[nH]c(=O)[nH]2)cc1 ZINC000774545897 575213695 /nfs/dbraw/zinc/21/36/95/575213695.db2.gz BNFVREYCRWLFQG-UHFFFAOYSA-N 1 2 289.383 1.989 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000773756025 575837824 /nfs/dbraw/zinc/83/78/24/575837824.db2.gz WKULSZVUXLGZCX-UHFFFAOYSA-N 1 2 261.369 1.417 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000773756025 575837825 /nfs/dbraw/zinc/83/78/25/575837825.db2.gz WKULSZVUXLGZCX-UHFFFAOYSA-N 1 2 261.369 1.417 20 10 CDCDLO CN(C)c1ccc(C[N@H+](C)CN2CCOC2=O)cc1 ZINC000902038213 618506810 /nfs/dbraw/zinc/50/68/10/618506810.db2.gz OWBJVMYMPGYULP-UHFFFAOYSA-N 1 2 263.341 1.594 20 10 CDCDLO CN(C)c1ccc(C[N@@H+](C)CN2CCOC2=O)cc1 ZINC000902038213 618506818 /nfs/dbraw/zinc/50/68/18/618506818.db2.gz OWBJVMYMPGYULP-UHFFFAOYSA-N 1 2 263.341 1.594 20 10 CDCDLO COc1ccc(C[NH+]2CC(OC)C2)c(O)c1OC ZINC000894820515 619073517 /nfs/dbraw/zinc/07/35/17/619073517.db2.gz VWINNBNTBAIEQW-UHFFFAOYSA-N 1 2 253.298 1.240 20 10 CDCDLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895316915 619547224 /nfs/dbraw/zinc/54/72/24/619547224.db2.gz SJILSIMAFOMLFR-NSHDSACASA-N 1 2 286.734 1.799 20 10 CDCDLO COc1ccc(CNc2[nH+]cnc3c2cnn3C)c(O)c1 ZINC000794866311 1164691549 /nfs/dbraw/zinc/69/15/49/1164691549.db2.gz VMOFUDZHWDMZAJ-UHFFFAOYSA-N 1 2 285.307 1.690 20 10 CDCDLO Nc1ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000020398350 1172641250 /nfs/dbraw/zinc/64/12/50/1172641250.db2.gz WYMVJGLUNQEMIR-UHFFFAOYSA-N 1 2 285.347 1.820 20 10 CDCDLO CC[C@H]([NH2+]CC[C@H](C)O)c1cccc(-c2nn[nH]n2)c1O ZINC001590470973 1173422045 /nfs/dbraw/zinc/42/20/45/1173422045.db2.gz TVCGWORKKRCTFI-CABZTGNLSA-N 1 2 291.355 1.384 20 10 CDCDLO O=S1(=O)CC[C@@H]([N@H+](Cc2cc(F)ccc2O)C2CC2)C1 ZINC000179935452 818317030 /nfs/dbraw/zinc/31/70/30/818317030.db2.gz VOGIWJFHINJVKO-CYBMUJFWSA-N 1 2 299.367 1.683 20 10 CDCDLO O=S1(=O)CC[C@@H]([N@@H+](Cc2cc(F)ccc2O)C2CC2)C1 ZINC000179935452 818317035 /nfs/dbraw/zinc/31/70/35/818317035.db2.gz VOGIWJFHINJVKO-CYBMUJFWSA-N 1 2 299.367 1.683 20 10 CDCDLO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(F)cc(F)c1O ZINC000834910204 818327394 /nfs/dbraw/zinc/32/73/94/818327394.db2.gz VUDBCQSYVHGBLM-RMLUDKJBSA-N 1 2 284.306 1.990 20 10 CDCDLO O=CN1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000827867028 818628271 /nfs/dbraw/zinc/62/82/71/818628271.db2.gz AFEDAINVOIUPEF-UHFFFAOYSA-N 1 2 286.734 1.849 20 10 CDCDLO O=CN1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000827867028 818628276 /nfs/dbraw/zinc/62/82/76/818628276.db2.gz AFEDAINVOIUPEF-UHFFFAOYSA-N 1 2 286.734 1.849 20 10 CDCDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](CO)O1 ZINC000787417115 819628534 /nfs/dbraw/zinc/62/85/34/819628534.db2.gz IXWOVEGNEAZELJ-WCQYABFASA-N 1 2 282.359 1.473 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](CO)O1 ZINC000787417115 819628540 /nfs/dbraw/zinc/62/85/40/819628540.db2.gz IXWOVEGNEAZELJ-WCQYABFASA-N 1 2 282.359 1.473 20 10 CDCDLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816573493 820341898 /nfs/dbraw/zinc/34/18/98/820341898.db2.gz AHIDTYICQFBRMD-DTWKUNHWSA-N 1 2 275.707 1.112 20 10 CDCDLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816573493 820341910 /nfs/dbraw/zinc/34/19/10/820341910.db2.gz AHIDTYICQFBRMD-DTWKUNHWSA-N 1 2 275.707 1.112 20 10 CDCDLO Cn1cc([C@H](CO)[NH2+]Cc2cc(F)cc(F)c2O)cn1 ZINC000883076444 821785424 /nfs/dbraw/zinc/78/54/24/821785424.db2.gz DDFNIHCMCADVMJ-LBPRGKRZSA-N 1 2 283.278 1.227 20 10 CDCDLO COc1ccc(N2CCC[N@H+](Cc3cnon3)CC2)cc1 ZINC000851733564 822077585 /nfs/dbraw/zinc/07/75/85/822077585.db2.gz ZSHURRCIMYQOPJ-UHFFFAOYSA-N 1 2 288.351 1.791 20 10 CDCDLO COc1ccc(N2CCC[N@@H+](Cc3cnon3)CC2)cc1 ZINC000851733564 822077598 /nfs/dbraw/zinc/07/75/98/822077598.db2.gz ZSHURRCIMYQOPJ-UHFFFAOYSA-N 1 2 288.351 1.791 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)CCc1c[nH]c[nH+]1 ZINC000276490594 822491666 /nfs/dbraw/zinc/49/16/66/822491666.db2.gz UTIDSXKZFUTGBE-UHFFFAOYSA-N 1 2 259.309 1.707 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)CCc1c[nH+]c[nH]1 ZINC000276490594 822491672 /nfs/dbraw/zinc/49/16/72/822491672.db2.gz UTIDSXKZFUTGBE-UHFFFAOYSA-N 1 2 259.309 1.707 20 10 CDCDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000779018892 822530442 /nfs/dbraw/zinc/53/04/42/822530442.db2.gz IRHIJYKMCRNWAG-CQSZACIVSA-N 1 2 293.363 1.935 20 10 CDCDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000779018892 822530451 /nfs/dbraw/zinc/53/04/51/822530451.db2.gz IRHIJYKMCRNWAG-CQSZACIVSA-N 1 2 293.363 1.935 20 10 CDCDLO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(O)[nH]c(=O)c1)C2 ZINC001269919615 904208470 /nfs/dbraw/zinc/20/84/70/904208470.db2.gz SRYNDPZEGZZJBQ-HNNXBMFYSA-N 1 2 291.351 1.051 20 10 CDCDLO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(O)[nH]c(=O)c1)C2 ZINC001269919615 904208480 /nfs/dbraw/zinc/20/84/80/904208480.db2.gz SRYNDPZEGZZJBQ-HNNXBMFYSA-N 1 2 291.351 1.051 20 10 CDCDLO Cn1cc2c(n1)CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001138127488 936474631 /nfs/dbraw/zinc/47/46/31/936474631.db2.gz GCFDTBLETASDNN-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Cn1cc2c(n1)CC[N@H+](Cc1cccc(F)c1O)C2 ZINC001138127488 936474634 /nfs/dbraw/zinc/47/46/34/936474634.db2.gz GCFDTBLETASDNN-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO CC[C@@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001257428266 933591602 /nfs/dbraw/zinc/59/16/02/933591602.db2.gz VBWCHUFZRGWBNX-KOLCDFICSA-N 1 2 267.325 1.570 20 10 CDCDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1ccccc1O ZINC000779032035 934356924 /nfs/dbraw/zinc/35/69/24/934356924.db2.gz DONLUFZTEYZKOK-CYBMUJFWSA-N 1 2 281.352 1.791 20 10 CDCDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1ccccc1O ZINC000779032035 934356935 /nfs/dbraw/zinc/35/69/35/934356935.db2.gz DONLUFZTEYZKOK-CYBMUJFWSA-N 1 2 281.352 1.791 20 10 CDCDLO COC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccccc1O ZINC001203551472 939692989 /nfs/dbraw/zinc/69/29/89/939692989.db2.gz FHQPRSXRGVEETO-ZDUSSCGKSA-N 1 2 288.351 1.267 20 10 CDCDLO COC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccccc1O ZINC001203551472 939692991 /nfs/dbraw/zinc/69/29/91/939692991.db2.gz FHQPRSXRGVEETO-ZDUSSCGKSA-N 1 2 288.351 1.267 20 10 CDCDLO CCN1CC[N@H+](Cc2ccc(OC)cc2O)CC1=O ZINC001203629012 939697656 /nfs/dbraw/zinc/69/76/56/939697656.db2.gz NQFQFVSMAREBRQ-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO CCN1CC[N@@H+](Cc2ccc(OC)cc2O)CC1=O ZINC001203629012 939697658 /nfs/dbraw/zinc/69/76/58/939697658.db2.gz NQFQFVSMAREBRQ-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO CN1CC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001204320417 939755652 /nfs/dbraw/zinc/75/56/52/939755652.db2.gz XXLGOGRWCZTDHL-UHFFFAOYSA-N 1 2 273.380 1.561 20 10 CDCDLO CN1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001204320417 939755654 /nfs/dbraw/zinc/75/56/54/939755654.db2.gz XXLGOGRWCZTDHL-UHFFFAOYSA-N 1 2 273.380 1.561 20 10 CDCDLO C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C1CC[NH+](C)CC1 ZINC001231448226 942893902 /nfs/dbraw/zinc/89/39/02/942893902.db2.gz AMBPGTQZTUBFKE-UHFFFAOYSA-N 1 2 278.352 1.616 20 10 CDCDLO C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C1CC[NH+](C)CC1 ZINC001231448226 942893904 /nfs/dbraw/zinc/89/39/04/942893904.db2.gz AMBPGTQZTUBFKE-UHFFFAOYSA-N 1 2 278.352 1.616 20 10 CDCDLO OC[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC001231910986 943051111 /nfs/dbraw/zinc/05/11/11/943051111.db2.gz XOOTZAWVPFMKFT-PWSUYJOCSA-N 1 2 271.744 1.221 20 10 CDCDLO OC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC001231910986 943051120 /nfs/dbraw/zinc/05/11/20/943051120.db2.gz XOOTZAWVPFMKFT-PWSUYJOCSA-N 1 2 271.744 1.221 20 10 CDCDLO COC(=O)CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231913155 943052029 /nfs/dbraw/zinc/05/20/29/943052029.db2.gz GKDRTAWTJXKVRH-NSHDSACASA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)CO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231913155 943052033 /nfs/dbraw/zinc/05/20/33/943052033.db2.gz GKDRTAWTJXKVRH-NSHDSACASA-N 1 2 299.754 1.810 20 10 CDCDLO O=C1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCCN1 ZINC001232259395 943192813 /nfs/dbraw/zinc/19/28/13/943192813.db2.gz IWMRHTDCNQKRMX-UHFFFAOYSA-N 1 2 270.716 1.073 20 10 CDCDLO O=C1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCCN1 ZINC001232259395 943192814 /nfs/dbraw/zinc/19/28/14/943192814.db2.gz IWMRHTDCNQKRMX-UHFFFAOYSA-N 1 2 270.716 1.073 20 10 CDCDLO Oc1cc(C[N@@H+]2CC[C@]23CCOC3)cc(O)c1O ZINC001233016245 943464835 /nfs/dbraw/zinc/46/48/35/943464835.db2.gz QDSKZGDGBIRSPF-CYBMUJFWSA-N 1 2 251.282 1.168 20 10 CDCDLO Oc1cc(C[N@H+]2CC[C@]23CCOC3)cc(O)c1O ZINC001233016245 943464836 /nfs/dbraw/zinc/46/48/36/943464836.db2.gz QDSKZGDGBIRSPF-CYBMUJFWSA-N 1 2 251.282 1.168 20 10 CDCDLO COc1cc(C[NH+]2CC(OC)C2)c(O)c(OC)c1 ZINC001237674585 944918110 /nfs/dbraw/zinc/91/81/10/944918110.db2.gz JCMDSEIOONHFGE-UHFFFAOYSA-N 1 2 253.298 1.240 20 10 CDCDLO COC(=O)NC1C[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC001331569773 957146279 /nfs/dbraw/zinc/14/62/79/957146279.db2.gz RFZOTTXIOVWCRW-UHFFFAOYSA-N 1 2 280.324 1.249 20 10 CDCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001335289577 959687039 /nfs/dbraw/zinc/68/70/39/959687039.db2.gz PATGALVOQDQYPM-KBPBESRZSA-N 1 2 278.352 1.421 20 10 CDCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N)cc1 ZINC001335289577 959687047 /nfs/dbraw/zinc/68/70/47/959687047.db2.gz PATGALVOQDQYPM-KBPBESRZSA-N 1 2 278.352 1.421 20 10 CDCDLO C[C@@H](CC(=O)NCc1cccc(O)c1O)n1cc[nH+]c1 ZINC001347541152 965580121 /nfs/dbraw/zinc/58/01/21/965580121.db2.gz CZFBUQUJPFCBAL-JTQLQIEISA-N 1 2 275.308 1.562 20 10 CDCDLO COc1ccc(O)c(C[N@H+](C)Cc2nc(C)no2)c1 ZINC000848928354 969357311 /nfs/dbraw/zinc/35/73/11/969357311.db2.gz ZISBVLDOLRVMJR-UHFFFAOYSA-N 1 2 263.297 1.724 20 10 CDCDLO COc1ccc(O)c(C[N@@H+](C)Cc2nc(C)no2)c1 ZINC000848928354 969357317 /nfs/dbraw/zinc/35/73/17/969357317.db2.gz ZISBVLDOLRVMJR-UHFFFAOYSA-N 1 2 263.297 1.724 20 10 CDCDLO Nc1ccc(CNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC001356586875 969437732 /nfs/dbraw/zinc/43/77/32/969437732.db2.gz YNMCBBOJHJTCCO-UHFFFAOYSA-N 1 2 287.367 1.745 20 10 CDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000187567755 357779957 /nfs/dbraw/zinc/77/99/57/357779957.db2.gz UREQYHPJCYFKLL-KOLCDFICSA-N 1 2 285.727 1.154 20 10 CDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000187567755 357779960 /nfs/dbraw/zinc/77/99/60/357779960.db2.gz UREQYHPJCYFKLL-KOLCDFICSA-N 1 2 285.727 1.154 20 10 CDCDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[S@@](=O)C1 ZINC000277636355 366559068 /nfs/dbraw/zinc/55/90/68/366559068.db2.gz YDUQVNRROUAJDB-XTZNXHDOSA-N 1 2 271.357 1.732 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[S@@](=O)C1 ZINC000277636355 366559070 /nfs/dbraw/zinc/55/90/70/366559070.db2.gz YDUQVNRROUAJDB-XTZNXHDOSA-N 1 2 271.357 1.732 20 10 CDCDLO O=C1NC[C@H]2C[N@H+](Cc3cccc(Cl)c3O)CCN12 ZINC000124611732 360982591 /nfs/dbraw/zinc/98/25/91/360982591.db2.gz DWROKRRBZAZFDD-JTQLQIEISA-N 1 2 281.743 1.255 20 10 CDCDLO O=C1NC[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCN12 ZINC000124611732 360982593 /nfs/dbraw/zinc/98/25/93/360982593.db2.gz DWROKRRBZAZFDD-JTQLQIEISA-N 1 2 281.743 1.255 20 10 CDCDLO COC[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1O)OC ZINC000272682696 365350265 /nfs/dbraw/zinc/35/02/65/365350265.db2.gz NMJYGQINBMHOSR-NSHDSACASA-N 1 2 270.285 1.051 20 10 CDCDLO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(F)c(F)c1O ZINC000276979735 296124517 /nfs/dbraw/zinc/12/45/17/296124517.db2.gz VQNFWVRBPKZGDQ-MRVPVSSYSA-N 1 2 293.335 1.756 20 10 CDCDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093055442 390899324 /nfs/dbraw/zinc/89/93/24/390899324.db2.gz ABGDUERHLVBALG-CQSZACIVSA-N 1 2 292.335 1.077 20 10 CDCDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093055442 390899325 /nfs/dbraw/zinc/89/93/25/390899325.db2.gz ABGDUERHLVBALG-CQSZACIVSA-N 1 2 292.335 1.077 20 10 CDCDLO CC(C)NC(=O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273376969 391324501 /nfs/dbraw/zinc/32/45/01/391324501.db2.gz HJBMDIGZPBJMCM-VIFPVBQESA-N 1 2 281.312 1.476 20 10 CDCDLO OCCOCCC[NH2+]Cc1cccc(Cl)c1O ZINC000227521837 392022033 /nfs/dbraw/zinc/02/20/33/392022033.db2.gz KSKVUTPTKOVJBD-UHFFFAOYSA-N 1 2 259.733 1.534 20 10 CDCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000229642181 261209313 /nfs/dbraw/zinc/20/93/13/261209313.db2.gz WCCKBDLIZYNDKY-GFCCVEGCSA-N 1 2 292.162 1.940 20 10 CDCDLO CSCC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591700285 1173690390 /nfs/dbraw/zinc/69/03/90/1173690390.db2.gz QZNBAUBGZHYQTC-MRVPVSSYSA-N 1 2 279.369 1.586 20 10 CDCDLO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000275639453 334793115 /nfs/dbraw/zinc/79/31/15/334793115.db2.gz CJIAPHCZCZWKNF-VHSXEESVSA-N 1 2 276.340 1.941 20 10 CDCDLO CCCOc1ccc(C[NH2+][C@]2(C)CCOC2=O)c(O)c1 ZINC000289704094 520375214 /nfs/dbraw/zinc/37/52/14/520375214.db2.gz DZANKPZQUNTMNI-OAHLLOKOSA-N 1 2 279.336 1.976 20 10 CDCDLO COc1cccc(CNC(=O)CCn2cc[nH+]c2)c1O ZINC000264283513 525967712 /nfs/dbraw/zinc/96/77/12/525967712.db2.gz RLFKAISDUVDUGH-UHFFFAOYSA-N 1 2 275.308 1.304 20 10 CDCDLO Oc1cccc(Cl)c1C[NH2+]Cc1nnnn1C1CC1 ZINC000742388366 574420945 /nfs/dbraw/zinc/42/09/45/574420945.db2.gz SQZHVKDEFFJXSV-UHFFFAOYSA-N 1 2 279.731 1.657 20 10 CDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000756555043 576995451 /nfs/dbraw/zinc/99/54/51/576995451.db2.gz RKZHUETUDYQMAO-SECBINFHSA-N 1 2 275.308 1.753 20 10 CDCDLO COC[C@@H](CCO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756591930 576997028 /nfs/dbraw/zinc/99/70/28/576997028.db2.gz HEURIXRPYASKRE-PSASIEDQSA-N 1 2 275.295 1.718 20 10 CDCDLO COc1cc(C)cc(C[NH2+][C@H](C)c2ncn(C)n2)c1O ZINC000894530901 618944001 /nfs/dbraw/zinc/94/40/01/618944001.db2.gz PKIZLQJMWSYVRE-SNVBAGLBSA-N 1 2 276.340 1.689 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc(-c2nn[nH]n2)c1O ZINC001589954692 1173212301 /nfs/dbraw/zinc/21/23/01/1173212301.db2.gz INJPDAVAGZHMTG-LDYMZIIASA-N 1 2 271.324 1.775 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978007 1173219903 /nfs/dbraw/zinc/21/99/03/1173219903.db2.gz DVBYDKQENFLRAE-ZJUUUORDSA-N 1 2 289.339 1.402 20 10 CDCDLO CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001590471378 1173423151 /nfs/dbraw/zinc/42/31/51/1173423151.db2.gz DEPSOBIPNPSUFQ-AUTRQRHGSA-N 1 2 289.339 1.136 20 10 CDCDLO C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001609774839 1165076575 /nfs/dbraw/zinc/07/65/75/1165076575.db2.gz CFBAXJIAAHVVHV-GBIKHYSHSA-N 1 2 278.352 1.739 20 10 CDCDLO Cc1cc(C[N@@H+]2CCNC(=O)C2)ccc1N1CCCCC1 ZINC000827297500 823954689 /nfs/dbraw/zinc/95/46/89/823954689.db2.gz BMNWOGGTOVLCPR-UHFFFAOYSA-N 1 2 287.407 1.917 20 10 CDCDLO Cc1cc(C[N@H+]2CCNC(=O)C2)ccc1N1CCCCC1 ZINC000827297500 823954701 /nfs/dbraw/zinc/95/47/01/823954701.db2.gz BMNWOGGTOVLCPR-UHFFFAOYSA-N 1 2 287.407 1.917 20 10 CDCDLO Nc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000876504392 824336818 /nfs/dbraw/zinc/33/68/18/824336818.db2.gz MXBAIKVZGZAKQY-UPHRSURJSA-N 1 2 261.325 1.096 20 10 CDCDLO Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)c(O)c1O ZINC000780940514 828691408 /nfs/dbraw/zinc/69/14/08/828691408.db2.gz OUCLQSLHWRHJIW-UHFFFAOYSA-N 1 2 289.335 1.813 20 10 CDCDLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000839191578 826261759 /nfs/dbraw/zinc/26/17/59/826261759.db2.gz BDVFAQMUBZZMCS-WDEREUQCSA-N 1 2 275.707 1.688 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)CCCn2cc[nH+]c2)c1 ZINC000862759494 826989646 /nfs/dbraw/zinc/98/96/46/826989646.db2.gz DYHATJDYNWMBII-UHFFFAOYSA-N 1 2 273.336 1.994 20 10 CDCDLO CNC(=O)C[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000323066258 827868005 /nfs/dbraw/zinc/86/80/05/827868005.db2.gz VGMFKIWEDLIGNX-QMMMGPOBSA-N 1 2 256.733 1.660 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H](C)[S@@]1=O ZINC000792192725 827910506 /nfs/dbraw/zinc/91/05/06/827910506.db2.gz PODZMFQBZYLVLQ-LCKNKQDLSA-N 1 2 271.357 1.873 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H](C)[S@@]1=O ZINC000792192725 827910499 /nfs/dbraw/zinc/91/04/99/827910499.db2.gz PODZMFQBZYLVLQ-LCKNKQDLSA-N 1 2 271.357 1.873 20 10 CDCDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1cccc(O)c1O ZINC001176566322 914184590 /nfs/dbraw/zinc/18/45/90/914184590.db2.gz VWRPELPMXSOIJA-GHMZBOCLSA-N 1 2 287.319 1.251 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2c(O)cccc2F)C1 ZINC001137831557 936416531 /nfs/dbraw/zinc/41/65/31/936416531.db2.gz DYYZMLRMKIOMJV-NXEZZACHSA-N 1 2 257.280 1.684 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137831557 936416533 /nfs/dbraw/zinc/41/65/33/936416533.db2.gz DYYZMLRMKIOMJV-NXEZZACHSA-N 1 2 257.280 1.684 20 10 CDCDLO CC(=O)N(C)C1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC001140341560 936703339 /nfs/dbraw/zinc/70/33/39/936703339.db2.gz WEXDVJHDGMYSOW-UHFFFAOYSA-N 1 2 268.744 1.708 20 10 CDCDLO OC[C@@]1(F)CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508716 937025234 /nfs/dbraw/zinc/02/52/34/937025234.db2.gz IZHIZADVXXNHSQ-GFCCVEGCSA-N 1 2 261.243 1.577 20 10 CDCDLO OC[C@@]1(F)CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508716 937025237 /nfs/dbraw/zinc/02/52/37/937025237.db2.gz IZHIZADVXXNHSQ-GFCCVEGCSA-N 1 2 261.243 1.577 20 10 CDCDLO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000825279573 931498810 /nfs/dbraw/zinc/49/88/10/931498810.db2.gz SEKBAWQLKDLXHU-XCBNKYQSSA-N 1 2 286.734 1.928 20 10 CDCDLO COc1cccc(C[NH2+][C@H](C)c2noc(C)n2)c1O ZINC001117646277 937539652 /nfs/dbraw/zinc/53/96/52/937539652.db2.gz XEGPHACYONJAKF-MRVPVSSYSA-N 1 2 263.297 1.943 20 10 CDCDLO COC[C@@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC001203664774 939700352 /nfs/dbraw/zinc/70/03/52/939700352.db2.gz VXCZNADWKLTDCR-GFCCVEGCSA-N 1 2 271.744 1.893 20 10 CDCDLO COC[C@@H]1COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC001203664774 939700353 /nfs/dbraw/zinc/70/03/53/939700353.db2.gz VXCZNADWKLTDCR-GFCCVEGCSA-N 1 2 271.744 1.893 20 10 CDCDLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001206229476 940002735 /nfs/dbraw/zinc/00/27/35/940002735.db2.gz MCSXBDVFYDRKPP-LLVKDONJSA-N 1 2 278.249 1.997 20 10 CDCDLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001206229476 940002737 /nfs/dbraw/zinc/00/27/37/940002737.db2.gz MCSXBDVFYDRKPP-LLVKDONJSA-N 1 2 278.249 1.997 20 10 CDCDLO O=C([O-])c1ccc(O)c(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235121792 944060582 /nfs/dbraw/zinc/06/05/82/944060582.db2.gz ZNRBYWSALARDPT-MRXNPFEDSA-N 1 2 290.363 1.808 20 10 CDCDLO O=C([O-])c1ccc(O)c(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235121792 944060590 /nfs/dbraw/zinc/06/05/90/944060590.db2.gz ZNRBYWSALARDPT-MRXNPFEDSA-N 1 2 290.363 1.808 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC(=O)N1 ZINC000295137441 199365449 /nfs/dbraw/zinc/36/54/49/199365449.db2.gz ZHJTYKLIRGQJHU-MRVPVSSYSA-N 1 2 254.717 1.366 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC(=O)N1 ZINC000295137441 199365451 /nfs/dbraw/zinc/36/54/51/199365451.db2.gz ZHJTYKLIRGQJHU-MRVPVSSYSA-N 1 2 254.717 1.366 20 10 CDCDLO OCCC[NH2+]Cc1cccc(Br)c1O ZINC000042411829 357066472 /nfs/dbraw/zinc/06/64/72/357066472.db2.gz ZFESZKJYAPEGOF-UHFFFAOYSA-N 1 2 260.131 1.627 20 10 CDCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC000179941084 357232519 /nfs/dbraw/zinc/23/25/19/357232519.db2.gz XSPVNQLLZJJSJI-LLVKDONJSA-N 1 2 284.743 1.040 20 10 CDCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC000179941084 357232521 /nfs/dbraw/zinc/23/25/21/357232521.db2.gz XSPVNQLLZJJSJI-LLVKDONJSA-N 1 2 284.743 1.040 20 10 CDCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294400303 199025883 /nfs/dbraw/zinc/02/58/83/199025883.db2.gz CLEBYDKBQIHSJW-DZGCQCFKSA-N 1 2 292.379 1.169 20 10 CDCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294400303 199025884 /nfs/dbraw/zinc/02/58/84/199025884.db2.gz CLEBYDKBQIHSJW-DZGCQCFKSA-N 1 2 292.379 1.169 20 10 CDCDLO CCOc1ccc(O)c(C[NH2+][C@H](C)C(=O)OC)c1 ZINC000193094573 358264356 /nfs/dbraw/zinc/26/43/56/358264356.db2.gz DBRRMAZPBIUAOO-SECBINFHSA-N 1 2 253.298 1.442 20 10 CDCDLO CN(C)c1ccc(C[N@H+](CCS(C)(=O)=O)C2CC2)cc1 ZINC000121622617 360167812 /nfs/dbraw/zinc/16/78/12/360167812.db2.gz XNUYBVHHQXXQQD-UHFFFAOYSA-N 1 2 296.436 1.762 20 10 CDCDLO CN(C)c1ccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)cc1 ZINC000121622617 360167814 /nfs/dbraw/zinc/16/78/14/360167814.db2.gz XNUYBVHHQXXQQD-UHFFFAOYSA-N 1 2 296.436 1.762 20 10 CDCDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000271779412 364997577 /nfs/dbraw/zinc/99/75/77/364997577.db2.gz GMNPNOMKWJQHHK-LLVKDONJSA-N 1 2 295.335 1.547 20 10 CDCDLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000271779412 364997579 /nfs/dbraw/zinc/99/75/79/364997579.db2.gz GMNPNOMKWJQHHK-LLVKDONJSA-N 1 2 295.335 1.547 20 10 CDCDLO CCN1CC[N@H+](Cc2cccc(OC)c2O)CC1=O ZINC000273557958 365508399 /nfs/dbraw/zinc/50/83/99/365508399.db2.gz ZZNRHTAPOOJVSH-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO CCN1CC[N@@H+](Cc2cccc(OC)c2O)CC1=O ZINC000273557958 365508406 /nfs/dbraw/zinc/50/84/06/365508406.db2.gz ZZNRHTAPOOJVSH-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO CCCOc1ccc(C[N@H+]2CC(=O)NCC2(C)C)c(O)c1 ZINC000282894618 368090244 /nfs/dbraw/zinc/09/02/44/368090244.db2.gz ZOYYLUWFDQSFIW-UHFFFAOYSA-N 1 2 292.379 1.891 20 10 CDCDLO CN(C)c1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1F ZINC000287606420 369250887 /nfs/dbraw/zinc/25/08/87/369250887.db2.gz HBUVTZMUCILFPX-UHFFFAOYSA-N 1 2 290.342 1.864 20 10 CDCDLO Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c(O)c1O ZINC000182487158 391236005 /nfs/dbraw/zinc/23/60/05/391236005.db2.gz LOIXJWWKVWWQLJ-JTQLQIEISA-N 1 2 289.335 1.669 20 10 CDCDLO CC(C)OCC[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000179578371 391213231 /nfs/dbraw/zinc/21/32/31/391213231.db2.gz SPXRNZLSVAQLQZ-UHFFFAOYSA-N 1 2 278.396 1.935 20 10 CDCDLO C/C=C/C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000185811260 327846052 /nfs/dbraw/zinc/84/60/52/327846052.db2.gz FTNPYPGWRMUFDC-KXMPLOMGSA-N 1 2 266.297 1.717 20 10 CDCDLO COc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1C ZINC000275770922 334794556 /nfs/dbraw/zinc/79/45/56/334794556.db2.gz HAPZBTGTBUZEOR-NSHDSACASA-N 1 2 260.341 1.983 20 10 CDCDLO COc1cccc(CNC(=O)c2c[nH+]c(C)[nH]2)c1O ZINC000732283913 575086813 /nfs/dbraw/zinc/08/68/13/575086813.db2.gz HGCLYDLMBTYAFQ-UHFFFAOYSA-N 1 2 261.281 1.362 20 10 CDCDLO CC[N@H+](CCS(C)(=O)=O)Cc1c(O)cccc1OC ZINC000769528779 575357206 /nfs/dbraw/zinc/35/72/06/575357206.db2.gz XAFPQVXOGZMWNR-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO CC[N@@H+](CCS(C)(=O)=O)Cc1c(O)cccc1OC ZINC000769528779 575357208 /nfs/dbraw/zinc/35/72/08/575357208.db2.gz XAFPQVXOGZMWNR-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000771418866 575578137 /nfs/dbraw/zinc/57/81/37/575578137.db2.gz OPWWZIPUYWZTDS-IUCAKERBSA-N 1 2 254.355 1.618 20 10 CDCDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000771418866 575578139 /nfs/dbraw/zinc/57/81/39/575578139.db2.gz OPWWZIPUYWZTDS-IUCAKERBSA-N 1 2 254.355 1.618 20 10 CDCDLO COCC[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2O)CCOC1 ZINC000773953389 575845633 /nfs/dbraw/zinc/84/56/33/575845633.db2.gz FLTMMFIDKWZCJO-CQSZACIVSA-N 1 2 296.323 1.586 20 10 CDCDLO C[C@@H]([NH2+]CC1(CO)COC1)c1cc(F)cc(F)c1O ZINC000756761497 577003156 /nfs/dbraw/zinc/00/31/56/577003156.db2.gz QBQKTJSXWYBODJ-MRVPVSSYSA-N 1 2 273.279 1.330 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815036803 618466096 /nfs/dbraw/zinc/46/60/96/618466096.db2.gz BUYHLPPYXMQKBY-HNNXBMFYSA-N 1 2 292.379 1.435 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815036803 618466105 /nfs/dbraw/zinc/46/61/05/618466105.db2.gz BUYHLPPYXMQKBY-HNNXBMFYSA-N 1 2 292.379 1.435 20 10 CDCDLO COc1ccc(N2CCC([NH2+][C@H]3CCOC3=O)CC2)cc1 ZINC000895803798 619852815 /nfs/dbraw/zinc/85/28/15/619852815.db2.gz FTKAPHQOYXVWEY-HNNXBMFYSA-N 1 2 290.363 1.569 20 10 CDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001170091307 1162060436 /nfs/dbraw/zinc/06/04/36/1162060436.db2.gz FRESPZIXLHOIDA-RTXFEEFZSA-N 1 2 293.363 1.960 20 10 CDCDLO CC[C@H]([NH2+][C@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590467692 1173418254 /nfs/dbraw/zinc/41/82/54/1173418254.db2.gz SPZNRLRTMHBKIJ-CABZTGNLSA-N 1 2 289.339 1.402 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(F)cc(F)c1O ZINC000840826407 828979734 /nfs/dbraw/zinc/97/97/34/828979734.db2.gz XJYIAYAIGHFICV-BDAKNGLRSA-N 1 2 284.306 1.847 20 10 CDCDLO C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccccc1O ZINC000827947001 829808045 /nfs/dbraw/zinc/80/80/45/829808045.db2.gz XYKDHRFSVVKKIV-WXJAXGNASA-N 1 2 290.363 1.458 20 10 CDCDLO Cc1nonc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922327719 832094664 /nfs/dbraw/zinc/09/46/64/832094664.db2.gz FHHJJXXNPWCGFD-UHFFFAOYSA-N 1 2 259.309 1.993 20 10 CDCDLO CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817980840 832314107 /nfs/dbraw/zinc/31/41/07/832314107.db2.gz XJJFXCJPBDAUGP-ONGXEEELSA-N 1 2 266.341 1.567 20 10 CDCDLO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000830554866 832751622 /nfs/dbraw/zinc/75/16/22/832751622.db2.gz MXWQWMIUXZUIEV-NSHDSACASA-N 1 2 287.319 1.173 20 10 CDCDLO COCCN(C)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708535595 832863882 /nfs/dbraw/zinc/86/38/82/832863882.db2.gz NINNICDSIODWKM-UHFFFAOYSA-N 1 2 274.311 1.338 20 10 CDCDLO C[C@@H]([NH2+]Cc1cnon1)c1ccc(N2CCOCC2)cc1 ZINC000851899147 834170255 /nfs/dbraw/zinc/17/02/55/834170255.db2.gz YPOUWZVIASOMNZ-GFCCVEGCSA-N 1 2 288.351 1.757 20 10 CDCDLO OCC[C@]1([NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC000775203037 835154506 /nfs/dbraw/zinc/15/45/06/835154506.db2.gz AIRFGONISAVLCY-ZDUSSCGKSA-N 1 2 289.734 1.816 20 10 CDCDLO CCn1ncnc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000793346373 835722377 /nfs/dbraw/zinc/72/23/77/835722377.db2.gz MRWVXODJDOLADR-UHFFFAOYSA-N 1 2 277.347 1.793 20 10 CDCDLO COc1cc(N(C)C)ccc1CN1CC[NH2+]CC(F)(F)C1 ZINC001211347200 895692777 /nfs/dbraw/zinc/69/27/77/895692777.db2.gz MQBFKQSLDPEOFJ-UHFFFAOYSA-N 1 2 299.365 1.802 20 10 CDCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2[nH+]ccn2CC1 ZINC001179686953 915927514 /nfs/dbraw/zinc/92/75/14/915927514.db2.gz HIMBGPWJXLAISZ-DUXPYHPUSA-N 1 2 299.330 1.392 20 10 CDCDLO O=C1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]2CCCN12 ZINC001140058464 936675156 /nfs/dbraw/zinc/67/51/56/936675156.db2.gz AZLYQNPJHNPVJC-LBPRGKRZSA-N 1 2 264.300 1.338 20 10 CDCDLO O=C1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H]2CCCN12 ZINC001140058464 936675157 /nfs/dbraw/zinc/67/51/57/936675157.db2.gz AZLYQNPJHNPVJC-LBPRGKRZSA-N 1 2 264.300 1.338 20 10 CDCDLO O=C1NCC[C@]12CCC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581665 936727319 /nfs/dbraw/zinc/72/73/19/936727319.db2.gz WQXTYCQZMOZBMR-HNNXBMFYSA-N 1 2 296.317 1.773 20 10 CDCDLO O=C1NCC[C@]12CCC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581665 936727320 /nfs/dbraw/zinc/72/73/20/936727320.db2.gz WQXTYCQZMOZBMR-HNNXBMFYSA-N 1 2 296.317 1.773 20 10 CDCDLO [NH3+]Cc1ncccc1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193634351 923822738 /nfs/dbraw/zinc/82/27/38/923822738.db2.gz VAOBEHZQRDTNEI-UHFFFAOYSA-N 1 2 293.710 1.857 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1OC ZINC001142508885 937024620 /nfs/dbraw/zinc/02/46/20/937024620.db2.gz OWFOLLYYUYSSIP-BETUJISGSA-N 1 2 273.279 1.516 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1OC ZINC001142508885 937024622 /nfs/dbraw/zinc/02/46/22/937024622.db2.gz OWFOLLYYUYSSIP-BETUJISGSA-N 1 2 273.279 1.516 20 10 CDCDLO O=C1NC[C@@]2(CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)O1 ZINC001142526970 937027865 /nfs/dbraw/zinc/02/78/65/937027865.db2.gz DCNSRMBVDNFADT-CQSZACIVSA-N 1 2 298.289 1.745 20 10 CDCDLO O=C1NC[C@@]2(CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)O1 ZINC001142526970 937027867 /nfs/dbraw/zinc/02/78/67/937027867.db2.gz DCNSRMBVDNFADT-CQSZACIVSA-N 1 2 298.289 1.745 20 10 CDCDLO Cc1nc(N(C)C)nc(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001158995553 938685991 /nfs/dbraw/zinc/68/59/91/938685991.db2.gz JSQBXXJPKQTIDF-UHFFFAOYSA-N 1 2 275.312 1.269 20 10 CDCDLO COc1cc(C[N@@H+]2CC[C@@]23CCOC3)cc(O)c1O ZINC001204349045 939759471 /nfs/dbraw/zinc/75/94/71/939759471.db2.gz NGRZRLIYBKVEDR-AWEZNQCLSA-N 1 2 265.309 1.471 20 10 CDCDLO COc1cc(C[N@H+]2CC[C@@]23CCOC3)cc(O)c1O ZINC001204349045 939759472 /nfs/dbraw/zinc/75/94/72/939759472.db2.gz NGRZRLIYBKVEDR-AWEZNQCLSA-N 1 2 265.309 1.471 20 10 CDCDLO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(F)c(F)c1O ZINC001233079645 943486763 /nfs/dbraw/zinc/48/67/63/943486763.db2.gz IRDIJBJEYGYSPF-QWRGUYRKSA-N 1 2 268.307 1.949 20 10 CDCDLO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(F)c(F)c1O ZINC001233079645 943486764 /nfs/dbraw/zinc/48/67/64/943486764.db2.gz IRDIJBJEYGYSPF-QWRGUYRKSA-N 1 2 268.307 1.949 20 10 CDCDLO Oc1c(C[N@@H+]2CCOC[C@H](O)C2)cccc1C(F)(F)F ZINC001233415566 943580183 /nfs/dbraw/zinc/58/01/83/943580183.db2.gz AVVLTDXFLHKOMP-SNVBAGLBSA-N 1 2 291.269 1.604 20 10 CDCDLO Cn1ncc2c1C[N@H+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233486160 943594279 /nfs/dbraw/zinc/59/42/79/943594279.db2.gz AZAQTUNFCWBXHY-UHFFFAOYSA-N 1 2 275.308 1.095 20 10 CDCDLO Cn1ncc2c1C[N@@H+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233486160 943594283 /nfs/dbraw/zinc/59/42/83/943594283.db2.gz AZAQTUNFCWBXHY-UHFFFAOYSA-N 1 2 275.308 1.095 20 10 CDCDLO CN(Cc1c(F)ccc(F)c1O)C[C@@H]1CCC[NH2+]1 ZINC001236118379 944408331 /nfs/dbraw/zinc/40/83/31/944408331.db2.gz HXXLHZXEECYZIC-VIFPVBQESA-N 1 2 256.296 1.854 20 10 CDCDLO CC1(CO)C[NH+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237119198 944660313 /nfs/dbraw/zinc/66/03/13/944660313.db2.gz BSWZIOCNEDLPOA-UHFFFAOYSA-N 1 2 259.708 1.999 20 10 CDCDLO OC[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237814035 944962300 /nfs/dbraw/zinc/96/23/00/944962300.db2.gz OOPQCOBRAINTQT-QMMMGPOBSA-N 1 2 259.708 1.999 20 10 CDCDLO OC[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237814035 944962307 /nfs/dbraw/zinc/96/23/07/944962307.db2.gz OOPQCOBRAINTQT-QMMMGPOBSA-N 1 2 259.708 1.999 20 10 CDCDLO Cc1cc(F)cc(C[N@@H+]2CCO[C@@H](CO)C2)c1O ZINC001238055596 945041270 /nfs/dbraw/zinc/04/12/70/945041270.db2.gz AKWGLDDRBBWLNH-GFCCVEGCSA-N 1 2 255.289 1.033 20 10 CDCDLO Cc1cc(F)cc(C[N@H+]2CCO[C@@H](CO)C2)c1O ZINC001238055596 945041278 /nfs/dbraw/zinc/04/12/78/945041278.db2.gz AKWGLDDRBBWLNH-GFCCVEGCSA-N 1 2 255.289 1.033 20 10 CDCDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1nnnn1C ZINC001308542064 956540695 /nfs/dbraw/zinc/54/06/95/956540695.db2.gz CPHVLEPWQPDPJC-SECBINFHSA-N 1 2 278.335 1.266 20 10 CDCDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001308691333 956562895 /nfs/dbraw/zinc/56/28/95/956562895.db2.gz BQQZRDAOECFHET-HNXYLICVSA-N 1 2 296.317 1.756 20 10 CDCDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(F)c(F)cc1O ZINC001308691333 956562905 /nfs/dbraw/zinc/56/29/05/956562905.db2.gz BQQZRDAOECFHET-HNXYLICVSA-N 1 2 296.317 1.756 20 10 CDCDLO COC(=O)[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000276459039 345375789 /nfs/dbraw/zinc/37/57/89/345375789.db2.gz LBKFXBYBQNTPGD-CQSZACIVSA-N 1 2 295.335 1.451 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOc2ccncc21 ZINC000492857261 366184258 /nfs/dbraw/zinc/18/42/58/366184258.db2.gz CYUJLNVFSNGMNV-UPHRSURJSA-N 1 2 256.265 1.244 20 10 CDCDLO CCCOc1ccc(C[NH+]2CC(O)(COC)C2)c(O)c1 ZINC000297295853 200138472 /nfs/dbraw/zinc/13/84/72/200138472.db2.gz BGFYANUZWCALMD-UHFFFAOYSA-N 1 2 281.352 1.374 20 10 CDCDLO COC(=O)[C@]1(F)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000272378059 365212934 /nfs/dbraw/zinc/21/29/34/365212934.db2.gz HIZUSIGOSAFKFW-ZDUSSCGKSA-N 1 2 271.263 1.618 20 10 CDCDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000272378059 365212942 /nfs/dbraw/zinc/21/29/42/365212942.db2.gz HIZUSIGOSAFKFW-ZDUSSCGKSA-N 1 2 271.263 1.618 20 10 CDCDLO COC(=O)[C@]1(F)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272525865 365277393 /nfs/dbraw/zinc/27/73/93/365277393.db2.gz YXPVRSWUNOYSMB-ZDUSSCGKSA-N 1 2 271.263 1.618 20 10 CDCDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272525865 365277396 /nfs/dbraw/zinc/27/73/96/365277396.db2.gz YXPVRSWUNOYSMB-ZDUSSCGKSA-N 1 2 271.263 1.618 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000273429300 296127815 /nfs/dbraw/zinc/12/78/15/296127815.db2.gz VFLKYYKEMUQFQO-LHLIQPBNSA-N 1 2 294.229 1.874 20 10 CDCDLO CC(C)NC(=O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273376967 391324896 /nfs/dbraw/zinc/32/48/96/391324896.db2.gz HJBMDIGZPBJMCM-SECBINFHSA-N 1 2 281.312 1.476 20 10 CDCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278332722 286187011 /nfs/dbraw/zinc/18/70/11/286187011.db2.gz ZMSCFTYSRAHOOR-UWVGGRQHSA-N 1 2 296.323 1.918 20 10 CDCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278332722 286187013 /nfs/dbraw/zinc/18/70/13/286187013.db2.gz ZMSCFTYSRAHOOR-UWVGGRQHSA-N 1 2 296.323 1.918 20 10 CDCDLO CCCOc1ccc(C[N@@H+]2CCNC(=O)C2)c(O)c1 ZINC000160507036 261216332 /nfs/dbraw/zinc/21/63/32/261216332.db2.gz KFZDZUBBSIPVIE-UHFFFAOYSA-N 1 2 264.325 1.113 20 10 CDCDLO CCCOc1ccc(C[N@H+]2CCNC(=O)C2)c(O)c1 ZINC000160507036 261216333 /nfs/dbraw/zinc/21/63/33/261216333.db2.gz KFZDZUBBSIPVIE-UHFFFAOYSA-N 1 2 264.325 1.113 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000135970910 329669496 /nfs/dbraw/zinc/66/94/96/329669496.db2.gz XNNQRVSCNAOUCG-GFCCVEGCSA-N 1 2 285.347 1.810 20 10 CDCDLO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)OC)c(O)c1 ZINC000279780348 520369411 /nfs/dbraw/zinc/36/94/11/520369411.db2.gz CAMOIYREXGZZJP-JTQLQIEISA-N 1 2 267.325 1.832 20 10 CDCDLO COC(=O)[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000276258258 523927258 /nfs/dbraw/zinc/92/72/58/523927258.db2.gz AQALJKZIJWIGGH-CYBMUJFWSA-N 1 2 295.310 1.775 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3nonc3C)CC2)cc1 ZINC000265122866 524429233 /nfs/dbraw/zinc/42/92/33/524429233.db2.gz KKYVWFARNNSWAD-UHFFFAOYSA-N 1 2 288.351 1.709 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[S@](=O)C1 ZINC000277636347 524987874 /nfs/dbraw/zinc/98/78/74/524987874.db2.gz YDUQVNRROUAJDB-MGNBDDOMSA-N 1 2 271.357 1.732 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[S@](=O)C1 ZINC000277636347 524987887 /nfs/dbraw/zinc/98/78/87/524987887.db2.gz YDUQVNRROUAJDB-MGNBDDOMSA-N 1 2 271.357 1.732 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000773888839 575843284 /nfs/dbraw/zinc/84/32/84/575843284.db2.gz QBGQLONLKGHUCP-ZDUSSCGKSA-N 1 2 275.396 1.805 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000773888839 575843286 /nfs/dbraw/zinc/84/32/86/575843286.db2.gz QBGQLONLKGHUCP-ZDUSSCGKSA-N 1 2 275.396 1.805 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c1O ZINC000894497712 618918265 /nfs/dbraw/zinc/91/82/65/618918265.db2.gz PHZMGLWEKUDCOD-NSHDSACASA-N 1 2 278.352 1.372 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c1O ZINC000894497712 618918267 /nfs/dbraw/zinc/91/82/67/618918267.db2.gz PHZMGLWEKUDCOD-NSHDSACASA-N 1 2 278.352 1.372 20 10 CDCDLO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000895328904 619567886 /nfs/dbraw/zinc/56/78/86/619567886.db2.gz HLFXFETWLAVVRW-GXFFZTMASA-N 1 2 289.734 1.502 20 10 CDCDLO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000895328904 619567892 /nfs/dbraw/zinc/56/78/92/619567892.db2.gz HLFXFETWLAVVRW-GXFFZTMASA-N 1 2 289.734 1.502 20 10 CDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907275550 627579391 /nfs/dbraw/zinc/57/93/91/627579391.db2.gz VWBSOVFORIUXNN-VIFPVBQESA-N 1 2 275.308 1.111 20 10 CDCDLO COCCCC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001605088794 1163448867 /nfs/dbraw/zinc/44/88/67/1163448867.db2.gz XZTMEXJTVXGCNQ-SNVBAGLBSA-N 1 2 291.355 1.650 20 10 CDCDLO Cc1nonc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883203393 835760041 /nfs/dbraw/zinc/76/00/41/835760041.db2.gz AVTBLWMOBLFMDM-UHFFFAOYSA-N 1 2 255.224 1.652 20 10 CDCDLO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000817971490 836494569 /nfs/dbraw/zinc/49/45/69/836494569.db2.gz DOTVBHHCMJAQMB-IUCAKERBSA-N 1 2 252.314 1.177 20 10 CDCDLO CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000877591124 836658742 /nfs/dbraw/zinc/65/87/42/836658742.db2.gz AAVNJLCRXSDXFB-UHFFFAOYSA-N 1 2 299.321 1.564 20 10 CDCDLO Nc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000848393222 836953610 /nfs/dbraw/zinc/95/36/10/836953610.db2.gz VNZYESIXNBHPEP-SNVBAGLBSA-N 1 2 256.309 1.666 20 10 CDCDLO O=C1CCCN1CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000846083453 837179539 /nfs/dbraw/zinc/17/95/39/837179539.db2.gz CLKSVFZMAOCQHK-UHFFFAOYSA-N 1 2 286.734 1.897 20 10 CDCDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nnnn1C1CC1 ZINC000883102691 837842887 /nfs/dbraw/zinc/84/28/87/837842887.db2.gz XZAZSDZNQYVUMK-SSDOTTSWSA-N 1 2 295.293 1.843 20 10 CDCDLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H]1CN(C)CCO1 ZINC000883051690 837895030 /nfs/dbraw/zinc/89/50/30/837895030.db2.gz KMIRWPJCKWDMFM-TVQRCGJNSA-N 1 2 286.322 1.479 20 10 CDCDLO C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817953969 838862681 /nfs/dbraw/zinc/86/26/81/838862681.db2.gz TXQOBYDSVNFEIB-SECBINFHSA-N 1 2 265.313 1.703 20 10 CDCDLO CO[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000878970532 838896622 /nfs/dbraw/zinc/89/66/22/838896622.db2.gz SVVDVXGZOMSMGC-OAHLLOKOSA-N 1 2 264.369 1.866 20 10 CDCDLO CO[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000878970532 838896629 /nfs/dbraw/zinc/89/66/29/838896629.db2.gz SVVDVXGZOMSMGC-OAHLLOKOSA-N 1 2 264.369 1.866 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)C[NH+]1CCCC1 ZINC000935948794 841054571 /nfs/dbraw/zinc/05/45/71/841054571.db2.gz PRWVQJUCOBUXDZ-UHFFFAOYSA-N 1 2 283.368 1.590 20 10 CDCDLO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(F)cc(F)c1O ZINC000834910205 841316410 /nfs/dbraw/zinc/31/64/10/841316410.db2.gz VUDBCQSYVHGBLM-RTHLEPHNSA-N 1 2 284.306 1.990 20 10 CDCDLO CCS(=O)(=O)N1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876563752 842005571 /nfs/dbraw/zinc/00/55/71/842005571.db2.gz CLKKHFRZJONLLZ-UHFFFAOYSA-N 1 2 298.408 1.168 20 10 CDCDLO CN1CCCc2cc(CNC(=O)Cc3[nH]cc[nH+]3)ccc21 ZINC000816910369 842870745 /nfs/dbraw/zinc/87/07/45/842870745.db2.gz DMSDQLQNCXDPSE-UHFFFAOYSA-N 1 2 284.363 1.651 20 10 CDCDLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001206222979 913046831 /nfs/dbraw/zinc/04/68/31/913046831.db2.gz RQCGCYTXXAVRQF-LLVKDONJSA-N 1 2 278.249 1.997 20 10 CDCDLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001206222979 913046843 /nfs/dbraw/zinc/04/68/43/913046843.db2.gz RQCGCYTXXAVRQF-LLVKDONJSA-N 1 2 278.249 1.997 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530346 908877841 /nfs/dbraw/zinc/87/78/41/908877841.db2.gz FEXCTPWULKVVNW-SNVBAGLBSA-N 1 2 270.279 1.381 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530346 908877851 /nfs/dbraw/zinc/87/78/51/908877851.db2.gz FEXCTPWULKVVNW-SNVBAGLBSA-N 1 2 270.279 1.381 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCOCC23CC3)c(OC)c1 ZINC001141030585 936794658 /nfs/dbraw/zinc/79/46/58/936794658.db2.gz CNBYESAMHYFNAV-UHFFFAOYSA-N 1 2 279.336 1.774 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCOCC23CC3)c(OC)c1 ZINC001141030585 936794660 /nfs/dbraw/zinc/79/46/60/936794660.db2.gz CNBYESAMHYFNAV-UHFFFAOYSA-N 1 2 279.336 1.774 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](C(C)=O)C2)c1O ZINC001203617201 939696850 /nfs/dbraw/zinc/69/68/50/939696850.db2.gz LRBOUEZAKQFJJV-CQSZACIVSA-N 1 2 279.336 1.581 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCO[C@@H](C(C)=O)C2)c1O ZINC001203617201 939696851 /nfs/dbraw/zinc/69/68/51/939696851.db2.gz LRBOUEZAKQFJJV-CQSZACIVSA-N 1 2 279.336 1.581 20 10 CDCDLO O=c1cc2[nH]cnc(O[C@@H]3CC[NH2+]CC3(F)F)c-2cc1O ZINC001218012316 941034997 /nfs/dbraw/zinc/03/49/97/941034997.db2.gz OTMPZAWXJUBIEO-LLVKDONJSA-N 1 2 297.261 1.417 20 10 CDCDLO COc1ccc(N2CC3(CC[N@@H+]3Cc3cn[nH]c3)C2)cc1 ZINC001276924003 941702262 /nfs/dbraw/zinc/70/22/62/941702262.db2.gz BPXOJVPIWJCGGE-UHFFFAOYSA-N 1 2 284.363 1.883 20 10 CDCDLO COc1ccc(N2CC3(CC[N@H+]3Cc3cn[nH]c3)C2)cc1 ZINC001276924003 941702267 /nfs/dbraw/zinc/70/22/67/941702267.db2.gz BPXOJVPIWJCGGE-UHFFFAOYSA-N 1 2 284.363 1.883 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(O)cc1O ZINC001231635056 942950844 /nfs/dbraw/zinc/95/08/44/942950844.db2.gz UTKQSMWXYFUILM-JTQLQIEISA-N 1 2 281.308 1.244 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)c(O)cc1O ZINC001231635056 942950850 /nfs/dbraw/zinc/95/08/50/942950850.db2.gz UTKQSMWXYFUILM-JTQLQIEISA-N 1 2 281.308 1.244 20 10 CDCDLO O=C1NCC[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]12 ZINC001231912313 943050819 /nfs/dbraw/zinc/05/08/19/943050819.db2.gz DDXHFSJCIFSTBV-GXSJLCMTSA-N 1 2 280.755 1.614 20 10 CDCDLO O=C1NCC[C@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@@H]12 ZINC001231912313 943050827 /nfs/dbraw/zinc/05/08/27/943050827.db2.gz DDXHFSJCIFSTBV-GXSJLCMTSA-N 1 2 280.755 1.614 20 10 CDCDLO Oc1cc(O)c(CN2CCn3c[nH+]cc3C2)cc1Cl ZINC001232262933 943194018 /nfs/dbraw/zinc/19/40/18/943194018.db2.gz WOBFSLSROQGXFX-UHFFFAOYSA-N 1 2 279.727 1.964 20 10 CDCDLO C[C@@]1(CO)CC[N@H+](Cc2ccc(F)c(F)c2O)C[C@H]1O ZINC001233076789 943485195 /nfs/dbraw/zinc/48/51/95/943485195.db2.gz VDWRATXWTBMETJ-RISCZKNCSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@@]1(CO)CC[N@@H+](Cc2ccc(F)c(F)c2O)C[C@H]1O ZINC001233076789 943485196 /nfs/dbraw/zinc/48/51/96/943485196.db2.gz VDWRATXWTBMETJ-RISCZKNCSA-N 1 2 287.306 1.236 20 10 CDCDLO CCOC(=O)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486034 943594030 /nfs/dbraw/zinc/59/40/30/943594030.db2.gz VKRDWRQKQQHWPM-UHFFFAOYSA-N 1 2 296.323 1.078 20 10 CDCDLO Nc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001263304021 943821984 /nfs/dbraw/zinc/82/19/84/943821984.db2.gz PXFCIGGCFOZAQQ-GFCCVEGCSA-N 1 2 270.336 1.344 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@H]1O ZINC001237804786 944957873 /nfs/dbraw/zinc/95/78/73/944957873.db2.gz GKHISTOUQQYFKQ-SKDRFNHKSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@H]1O ZINC001237804786 944957878 /nfs/dbraw/zinc/95/78/78/944957878.db2.gz GKHISTOUQQYFKQ-SKDRFNHKSA-N 1 2 289.734 1.360 20 10 CDCDLO O=C1CC[N@H+](Cc2cc(F)cc(Cl)c2O)CCN1 ZINC001237808653 944960562 /nfs/dbraw/zinc/96/05/62/944960562.db2.gz VNKIEJQWQDOYLE-UHFFFAOYSA-N 1 2 272.707 1.507 20 10 CDCDLO O=C1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)CCN1 ZINC001237808653 944960569 /nfs/dbraw/zinc/96/05/69/944960569.db2.gz VNKIEJQWQDOYLE-UHFFFAOYSA-N 1 2 272.707 1.507 20 10 CDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(C)c1O ZINC001238062470 945046369 /nfs/dbraw/zinc/04/63/69/945046369.db2.gz QHZJOOLHODKYBQ-VIFPVBQESA-N 1 2 255.289 1.833 20 10 CDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(C)c1O ZINC001238062470 945046376 /nfs/dbraw/zinc/04/63/76/945046376.db2.gz QHZJOOLHODKYBQ-VIFPVBQESA-N 1 2 255.289 1.833 20 10 CDCDLO CC(C)(CO)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001575338102 1171154365 /nfs/dbraw/zinc/15/43/65/1171154365.db2.gz LCZKECYAKCVOEI-UHFFFAOYSA-N 1 2 263.385 1.157 20 10 CDCDLO C[C@@H](O)CNc1cc(N(C)Cc2ccccc2O)nc[nH+]1 ZINC000298523613 356888168 /nfs/dbraw/zinc/88/81/68/356888168.db2.gz BYCHSLHPEWENRR-LLVKDONJSA-N 1 2 288.351 1.611 20 10 CDCDLO C[C@@H](O)CNc1cc(N(C)Cc2ccccc2O)[nH+]cn1 ZINC000298523613 356888173 /nfs/dbraw/zinc/88/81/73/356888173.db2.gz BYCHSLHPEWENRR-LLVKDONJSA-N 1 2 288.351 1.611 20 10 CDCDLO C[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000124505026 360373972 /nfs/dbraw/zinc/37/39/72/360373972.db2.gz HDCNJBFCRJDIMC-SNVBAGLBSA-N 1 2 289.784 1.665 20 10 CDCDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000124505026 360373974 /nfs/dbraw/zinc/37/39/74/360373974.db2.gz HDCNJBFCRJDIMC-SNVBAGLBSA-N 1 2 289.784 1.665 20 10 CDCDLO COCCN(C)CC[NH2+]Cc1cccc(Cl)c1O ZINC000124759232 360395750 /nfs/dbraw/zinc/39/57/50/360395750.db2.gz CUHUOXCKVKHPRR-UHFFFAOYSA-N 1 2 272.776 1.713 20 10 CDCDLO CN(C)c1ccc(CNC(=O)Cc2ccc(N)cc2)c[nH+]1 ZINC000269226896 364162353 /nfs/dbraw/zinc/16/23/53/364162353.db2.gz FKBGHNMLNCIYJC-UHFFFAOYSA-N 1 2 284.363 1.589 20 10 CDCDLO COc1ccc(N(C)CC[NH+]2CCOCC2)c(OC)c1 ZINC000269765207 364336374 /nfs/dbraw/zinc/33/63/74/364336374.db2.gz DZRVBSYCRRSZGK-UHFFFAOYSA-N 1 2 280.368 1.472 20 10 CDCDLO CCC[N@H+](CC(=O)OCC)Cc1cc2c(cc1O)OCO2 ZINC000270095731 364457702 /nfs/dbraw/zinc/45/77/02/364457702.db2.gz DJVHXKDTFHBBHX-UHFFFAOYSA-N 1 2 295.335 1.896 20 10 CDCDLO CCC[N@@H+](CC(=O)OCC)Cc1cc2c(cc1O)OCO2 ZINC000270095731 364457706 /nfs/dbraw/zinc/45/77/06/364457706.db2.gz DJVHXKDTFHBBHX-UHFFFAOYSA-N 1 2 295.335 1.896 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000271051270 364894168 /nfs/dbraw/zinc/89/41/68/364894168.db2.gz VUEBGHFNQZSLKQ-JTQLQIEISA-N 1 2 279.292 1.258 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000271051270 364894171 /nfs/dbraw/zinc/89/41/71/364894171.db2.gz VUEBGHFNQZSLKQ-JTQLQIEISA-N 1 2 279.292 1.258 20 10 CDCDLO CCCS(=O)(=O)CC[N@H+](C)Cc1ccccc1O ZINC000109771151 390648131 /nfs/dbraw/zinc/64/81/31/390648131.db2.gz BDBDZUNBLDDUBJ-UHFFFAOYSA-N 1 2 271.382 1.649 20 10 CDCDLO CCCS(=O)(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000109771151 390648134 /nfs/dbraw/zinc/64/81/34/390648134.db2.gz BDBDZUNBLDDUBJ-UHFFFAOYSA-N 1 2 271.382 1.649 20 10 CDCDLO CCCC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)OC ZINC000274907321 521239979 /nfs/dbraw/zinc/23/99/79/521239979.db2.gz ISWKRYGGLRJRMD-NSHDSACASA-N 1 2 295.335 1.942 20 10 CDCDLO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)CC[S@]1=O ZINC000277290276 524509497 /nfs/dbraw/zinc/50/94/97/524509497.db2.gz AGLSPWCLBBIZGQ-SBKAZYGRSA-N 1 2 297.376 1.464 20 10 CDCDLO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)CC[S@]1=O ZINC000277290276 524509506 /nfs/dbraw/zinc/50/95/06/524509506.db2.gz AGLSPWCLBBIZGQ-SBKAZYGRSA-N 1 2 297.376 1.464 20 10 CDCDLO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000276966064 525411410 /nfs/dbraw/zinc/41/14/10/525411410.db2.gz SRQOKLUIPXGMJJ-UFBFGSQYSA-N 1 2 297.305 1.788 20 10 CDCDLO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000756638793 576998067 /nfs/dbraw/zinc/99/80/67/576998067.db2.gz RUNHNBRIRPJVMY-CABZTGNLSA-N 1 2 293.323 1.572 20 10 CDCDLO C[C@@H]1C[C@H]([NH2+]Cc2ncn(C)n2)c2c1c(F)ccc2O ZINC000756778867 577004265 /nfs/dbraw/zinc/00/42/65/577004265.db2.gz GDHVJNQVMJLXDZ-SCZZXKLOSA-N 1 2 276.315 1.998 20 10 CDCDLO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(F)cc(F)c2O)C1 ZINC000894094711 618382372 /nfs/dbraw/zinc/38/23/72/618382372.db2.gz LVAQLDNAAZEOPK-NSHDSACASA-N 1 2 298.333 1.971 20 10 CDCDLO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(F)cc(F)c2O)C1 ZINC000894094711 618382375 /nfs/dbraw/zinc/38/23/75/618382375.db2.gz LVAQLDNAAZEOPK-NSHDSACASA-N 1 2 298.333 1.971 20 10 CDCDLO CN(C)c1ccc(CN(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000900026552 622658157 /nfs/dbraw/zinc/65/81/57/622658157.db2.gz NCHABFLPORNCNY-UHFFFAOYSA-N 1 2 272.352 1.677 20 10 CDCDLO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902413077 624818167 /nfs/dbraw/zinc/81/81/67/624818167.db2.gz HYVTZFLOTZFAFQ-SECBINFHSA-N 1 2 264.325 1.321 20 10 CDCDLO O=C(CNc1c[nH+]c2c(c1)CCCN2)c1ccc(O)c(O)c1 ZINC001170320515 1162336882 /nfs/dbraw/zinc/33/68/82/1162336882.db2.gz FDGSKXOSNLDDSP-UHFFFAOYSA-N 1 2 299.330 1.433 20 10 CDCDLO C[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H](C)[N@H+]1CCO ZINC000824925881 844542116 /nfs/dbraw/zinc/54/21/16/844542116.db2.gz HVGXJGNNGAFTAB-TXEJJXNPSA-N 1 2 298.814 1.933 20 10 CDCDLO C[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H](C)[N@@H+]1CCO ZINC000824925881 844542123 /nfs/dbraw/zinc/54/21/23/844542123.db2.gz HVGXJGNNGAFTAB-TXEJJXNPSA-N 1 2 298.814 1.933 20 10 CDCDLO Oc1cc2c(cc1CN1CCn3c[nH+]cc3C1)[C@@H](O)CO2 ZINC000811787997 843377977 /nfs/dbraw/zinc/37/79/77/843377977.db2.gz ZWXBPPAIMOZGII-AWEZNQCLSA-N 1 2 287.319 1.030 20 10 CDCDLO Cc1cccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c1O ZINC000848924258 843862212 /nfs/dbraw/zinc/86/22/12/843862212.db2.gz OVLWSOWDTLNYKM-GFCCVEGCSA-N 1 2 288.351 1.960 20 10 CDCDLO CCN1C[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1=O ZINC000834890729 845080255 /nfs/dbraw/zinc/08/02/55/845080255.db2.gz PBBCAAICPHGWJP-SCZZXKLOSA-N 1 2 284.306 1.942 20 10 CDCDLO Cc1cccn2c(C=C3C(=O)N(C)C(=O)N(C)C3=O)c[nH+]c12 ZINC000125214345 845445606 /nfs/dbraw/zinc/44/56/06/845445606.db2.gz YCZOFIZVECJGOT-UHFFFAOYSA-N 1 2 298.302 1.077 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1CO ZINC000877764948 845714297 /nfs/dbraw/zinc/71/42/97/845714297.db2.gz PCKQLNYRGBAXHR-AOOOYVTPSA-N 1 2 289.734 1.217 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1CO ZINC000877764948 845714304 /nfs/dbraw/zinc/71/43/04/845714304.db2.gz PCKQLNYRGBAXHR-AOOOYVTPSA-N 1 2 289.734 1.217 20 10 CDCDLO COc1ccc(O)c(C[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000391941797 845725197 /nfs/dbraw/zinc/72/51/97/845725197.db2.gz WRGLTBOADUJAJF-VIFPVBQESA-N 1 2 262.313 1.380 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000858154795 845989315 /nfs/dbraw/zinc/98/93/15/845989315.db2.gz RLQUOUOQFQZCGA-GFCCVEGCSA-N 1 2 288.351 1.785 20 10 CDCDLO Cc1[nH+]c[nH]c1CC(=O)NCc1cc(C)ccc1O ZINC000862755477 846079964 /nfs/dbraw/zinc/07/99/64/846079964.db2.gz HZGSGJFAIAKDPP-UHFFFAOYSA-N 1 2 259.309 1.591 20 10 CDCDLO NC(=O)C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000809784950 846216636 /nfs/dbraw/zinc/21/66/36/846216636.db2.gz MPDQQQPFMCPKHL-MRVPVSSYSA-N 1 2 286.734 1.882 20 10 CDCDLO NC(=O)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000809784950 846216647 /nfs/dbraw/zinc/21/66/47/846216647.db2.gz MPDQQQPFMCPKHL-MRVPVSSYSA-N 1 2 286.734 1.882 20 10 CDCDLO CC(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000131776360 846327198 /nfs/dbraw/zinc/32/71/98/846327198.db2.gz NLINKKBGBRJMNG-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO CCOC(=O)C[N@H+](CC[C@H](C)O)Cc1ccccc1O ZINC000823576000 846722196 /nfs/dbraw/zinc/72/21/96/846722196.db2.gz GPKNXARBIOBOHC-LBPRGKRZSA-N 1 2 281.352 1.528 20 10 CDCDLO CCOC(=O)C[N@@H+](CC[C@H](C)O)Cc1ccccc1O ZINC000823576000 846722204 /nfs/dbraw/zinc/72/22/04/846722204.db2.gz GPKNXARBIOBOHC-LBPRGKRZSA-N 1 2 281.352 1.528 20 10 CDCDLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(Cl)ccc1O ZINC000093816034 847482047 /nfs/dbraw/zinc/48/20/47/847482047.db2.gz JPOVSHGFZSLZSN-UHFFFAOYSA-N 1 2 291.800 1.912 20 10 CDCDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(Cl)ccc1O ZINC000093816034 847482056 /nfs/dbraw/zinc/48/20/56/847482056.db2.gz JPOVSHGFZSLZSN-UHFFFAOYSA-N 1 2 291.800 1.912 20 10 CDCDLO C[N@H+](CC1(CS(C)(=O)=O)CC1)c1ccc(N)cc1 ZINC000692875211 900868926 /nfs/dbraw/zinc/86/89/26/900868926.db2.gz PFGFGZHSDFAOMK-UHFFFAOYSA-N 1 2 268.382 1.530 20 10 CDCDLO C[N@@H+](CC1(CS(C)(=O)=O)CC1)c1ccc(N)cc1 ZINC000692875211 900868945 /nfs/dbraw/zinc/86/89/45/900868945.db2.gz PFGFGZHSDFAOMK-UHFFFAOYSA-N 1 2 268.382 1.530 20 10 CDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167892835 901694906 /nfs/dbraw/zinc/69/49/06/901694906.db2.gz ZFHVFLFZNAGMBU-LOWDOPEQSA-N 1 2 291.347 1.570 20 10 CDCDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137837748 936419282 /nfs/dbraw/zinc/41/92/82/936419282.db2.gz SWWVYNQTCNDABG-SECBINFHSA-N 1 2 273.329 1.150 20 10 CDCDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137837748 936419284 /nfs/dbraw/zinc/41/92/84/936419284.db2.gz SWWVYNQTCNDABG-SECBINFHSA-N 1 2 273.329 1.150 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CCN(c2ccncn2)CC1 ZINC001138129518 936475298 /nfs/dbraw/zinc/47/52/98/936475298.db2.gz ILWBMHYUHFTBQO-UHFFFAOYSA-N 1 2 288.326 1.644 20 10 CDCDLO Cn1ncc2c1C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001140058479 936674797 /nfs/dbraw/zinc/67/47/97/936674797.db2.gz CFYNKHNSVGQWTK-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Cn1ncc2c1C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC001140058479 936674799 /nfs/dbraw/zinc/67/47/99/936674799.db2.gz CFYNKHNSVGQWTK-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Oc1cccc(Cl)c1C[NH+]1CC(N2CCOCC2)C1 ZINC001140345652 936704599 /nfs/dbraw/zinc/70/45/99/936704599.db2.gz XGRDNHKRNPDOEU-UHFFFAOYSA-N 1 2 282.771 1.562 20 10 CDCDLO CC[N@H+](CCN(C)C)Cc1c(O)cc(OC)cc1OC ZINC001141032240 936795525 /nfs/dbraw/zinc/79/55/25/936795525.db2.gz WVWLPFMUTDPSFS-UHFFFAOYSA-N 1 2 282.384 1.793 20 10 CDCDLO CC[N@@H+](CCN(C)C)Cc1c(O)cc(OC)cc1OC ZINC001141032240 936795527 /nfs/dbraw/zinc/79/55/27/936795527.db2.gz WVWLPFMUTDPSFS-UHFFFAOYSA-N 1 2 282.384 1.793 20 10 CDCDLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000708412506 923188078 /nfs/dbraw/zinc/18/80/78/923188078.db2.gz IBNBNILNDWYURN-QMMMGPOBSA-N 1 2 272.295 1.484 20 10 CDCDLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000708412506 923188086 /nfs/dbraw/zinc/18/80/86/923188086.db2.gz IBNBNILNDWYURN-QMMMGPOBSA-N 1 2 272.295 1.484 20 10 CDCDLO Oc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1O ZINC001203873685 939709740 /nfs/dbraw/zinc/70/97/40/939709740.db2.gz JVDSSTIKLMSMJJ-UHFFFAOYSA-N 1 2 299.374 1.811 20 10 CDCDLO C[C@H]1C[NH+](C2CN(Cc3ccc(O)c(O)c3)C2)C[C@H](C)O1 ZINC001203884147 939712016 /nfs/dbraw/zinc/71/20/16/939712016.db2.gz SXNSAOSMAJDWRJ-RYUDHWBXSA-N 1 2 292.379 1.391 20 10 CDCDLO Cn1cnc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001206241964 940004364 /nfs/dbraw/zinc/00/43/64/940004364.db2.gz BXENQJVOLUWDMX-UHFFFAOYSA-N 1 2 273.336 1.780 20 10 CDCDLO Cn1cnc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001206241964 940004366 /nfs/dbraw/zinc/00/43/66/940004366.db2.gz BXENQJVOLUWDMX-UHFFFAOYSA-N 1 2 273.336 1.780 20 10 CDCDLO CN(C)C(=O)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000401652936 940874483 /nfs/dbraw/zinc/87/44/83/940874483.db2.gz RGENOIXOKMVLCI-UHFFFAOYSA-N 1 2 281.331 1.331 20 10 CDCDLO C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@H]21 ZINC001231454289 942898259 /nfs/dbraw/zinc/89/82/59/942898259.db2.gz PKKYFEHSPRLIAD-TZMCWYRMSA-N 1 2 290.363 1.616 20 10 CDCDLO C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@H]21 ZINC001231454289 942898261 /nfs/dbraw/zinc/89/82/61/942898261.db2.gz PKKYFEHSPRLIAD-TZMCWYRMSA-N 1 2 290.363 1.616 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+](C)C1COC1 ZINC001231853572 943030833 /nfs/dbraw/zinc/03/08/33/943030833.db2.gz LRVARTNURPXEHJ-UHFFFAOYSA-N 1 2 250.342 1.592 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+](C)C1COC1 ZINC001231853572 943030837 /nfs/dbraw/zinc/03/08/37/943030837.db2.gz LRVARTNURPXEHJ-UHFFFAOYSA-N 1 2 250.342 1.592 20 10 CDCDLO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cccc(Cl)c1O ZINC001231912560 943052071 /nfs/dbraw/zinc/05/20/71/943052071.db2.gz NOBAMXGXINVKNS-QWRGUYRKSA-N 1 2 252.745 1.934 20 10 CDCDLO C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cccc(Cl)c1O ZINC001231912560 943052079 /nfs/dbraw/zinc/05/20/79/943052079.db2.gz NOBAMXGXINVKNS-QWRGUYRKSA-N 1 2 252.745 1.934 20 10 CDCDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233336618 943549106 /nfs/dbraw/zinc/54/91/06/943549106.db2.gz SRBFOHKGICZIMM-NSHDSACASA-N 1 2 284.306 1.771 20 10 CDCDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233336618 943549109 /nfs/dbraw/zinc/54/91/09/943549109.db2.gz SRBFOHKGICZIMM-NSHDSACASA-N 1 2 284.306 1.771 20 10 CDCDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233485581 943592600 /nfs/dbraw/zinc/59/26/00/943592600.db2.gz BUPVIUMVQNXQPE-NSHDSACASA-N 1 2 295.335 1.721 20 10 CDCDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233485581 943592604 /nfs/dbraw/zinc/59/26/04/943592604.db2.gz BUPVIUMVQNXQPE-NSHDSACASA-N 1 2 295.335 1.721 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC(N3CC(F)C3)C2)cc1OC ZINC001236750906 944558251 /nfs/dbraw/zinc/55/82/51/944558251.db2.gz NIVPSYFTOURRNK-UHFFFAOYSA-N 1 2 296.342 1.247 20 10 CDCDLO Cc1cc(-c2ccc3ncc(=O)n(C)c3c2)c[nH+]c1N ZINC001245538595 947731516 /nfs/dbraw/zinc/73/15/16/947731516.db2.gz PCMOASBVRMORHE-UHFFFAOYSA-N 1 2 266.304 1.886 20 10 CDCDLO C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[N@@H+]1C ZINC001324693844 953524123 /nfs/dbraw/zinc/52/41/23/953524123.db2.gz RUCRDIQNPWTGDK-QMMMGPOBSA-N 1 2 268.288 1.013 20 10 CDCDLO C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[N@H+]1C ZINC001324693844 953524129 /nfs/dbraw/zinc/52/41/29/953524129.db2.gz RUCRDIQNPWTGDK-QMMMGPOBSA-N 1 2 268.288 1.013 20 10 CDCDLO COc1ccc(C[N@H+](C)Cc2nccn2C)c(O)c1OC ZINC001334217437 954097861 /nfs/dbraw/zinc/09/78/61/954097861.db2.gz MGBOXGCXFBMLDB-UHFFFAOYSA-N 1 2 291.351 1.775 20 10 CDCDLO COc1ccc(C[N@@H+](C)Cc2nccn2C)c(O)c1OC ZINC001334217437 954097871 /nfs/dbraw/zinc/09/78/71/954097871.db2.gz MGBOXGCXFBMLDB-UHFFFAOYSA-N 1 2 291.351 1.775 20 10 CDCDLO C[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC001320690107 959328496 /nfs/dbraw/zinc/32/84/96/959328496.db2.gz DYLGZRCTISGXLS-WDEREUQCSA-N 1 2 289.335 1.603 20 10 CDCDLO O=C1NCCCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000124697066 360391617 /nfs/dbraw/zinc/39/16/17/360391617.db2.gz KWIYSYOKMSDLHF-LLVKDONJSA-N 1 2 268.744 1.804 20 10 CDCDLO O=C(c1c(F)ccc(O)c1O)N1CC[NH+](C2CCC2)CC1 ZINC000294767897 371089921 /nfs/dbraw/zinc/08/99/21/371089921.db2.gz BQDLKJYNSHGWRZ-UHFFFAOYSA-N 1 2 294.326 1.547 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOc2ccccc21 ZINC000493446383 375454486 /nfs/dbraw/zinc/45/44/86/375454486.db2.gz BACOXHRWORZRHY-AATRIKPKSA-N 1 2 255.277 1.849 20 10 CDCDLO COC(=O)C[N@H+](CCO)Cc1cc(Cl)ccc1O ZINC000177716944 391175689 /nfs/dbraw/zinc/17/56/89/391175689.db2.gz GNBWRZLNNVHYAP-UHFFFAOYSA-N 1 2 273.716 1.013 20 10 CDCDLO COC(=O)C[N@@H+](CCO)Cc1cc(Cl)ccc1O ZINC000177716944 391175692 /nfs/dbraw/zinc/17/56/92/391175692.db2.gz GNBWRZLNNVHYAP-UHFFFAOYSA-N 1 2 273.716 1.013 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOc2cc(F)ccc21 ZINC000493723719 393218762 /nfs/dbraw/zinc/21/87/62/393218762.db2.gz LTFFMCUYOZNAJI-DUXPYHPUSA-N 1 2 273.267 1.988 20 10 CDCDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000131452526 280362732 /nfs/dbraw/zinc/36/27/32/280362732.db2.gz HYLHCBVLYKLPAA-HNNXBMFYSA-N 1 2 293.386 1.848 20 10 CDCDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000131452526 280362733 /nfs/dbraw/zinc/36/27/33/280362733.db2.gz HYLHCBVLYKLPAA-HNNXBMFYSA-N 1 2 293.386 1.848 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OC)c1O ZINC000280943521 523528489 /nfs/dbraw/zinc/52/84/89/523528489.db2.gz SQWXDOHVWJNNEK-SECBINFHSA-N 1 2 253.298 1.394 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000280943521 523528503 /nfs/dbraw/zinc/52/85/03/523528503.db2.gz SQWXDOHVWJNNEK-SECBINFHSA-N 1 2 253.298 1.394 20 10 CDCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000768232181 576266089 /nfs/dbraw/zinc/26/60/89/576266089.db2.gz ZCXMLTBCFDENSC-ZDUSSCGKSA-N 1 2 294.370 1.883 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000768232181 576266091 /nfs/dbraw/zinc/26/60/91/576266091.db2.gz ZCXMLTBCFDENSC-ZDUSSCGKSA-N 1 2 294.370 1.883 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1ccc(OCC)cc1O ZINC000768247524 576266487 /nfs/dbraw/zinc/26/64/87/576266487.db2.gz VVYOHXXCEYIGPE-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1ccc(OCC)cc1O ZINC000768247524 576266489 /nfs/dbraw/zinc/26/64/89/576266489.db2.gz VVYOHXXCEYIGPE-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)ncn1 ZINC000756991460 577018722 /nfs/dbraw/zinc/01/87/22/577018722.db2.gz STRZLTAFOHMKSH-UHFFFAOYSA-N 1 2 274.280 1.689 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]2CO)c1O ZINC000934024445 617844851 /nfs/dbraw/zinc/84/48/51/617844851.db2.gz CYEFRPMHHDRGLM-LLVKDONJSA-N 1 2 253.273 1.301 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]2CO)c1O ZINC000934024445 617844854 /nfs/dbraw/zinc/84/48/54/617844854.db2.gz CYEFRPMHHDRGLM-LLVKDONJSA-N 1 2 253.273 1.301 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000894456493 618894966 /nfs/dbraw/zinc/89/49/66/618894966.db2.gz RMFZYJGRYQQWME-LBPRGKRZSA-N 1 2 284.306 1.187 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000894456493 618894967 /nfs/dbraw/zinc/89/49/67/618894967.db2.gz RMFZYJGRYQQWME-LBPRGKRZSA-N 1 2 284.306 1.187 20 10 CDCDLO C[C@H]([NH2+][C@H]1C=CCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589952015 1173209620 /nfs/dbraw/zinc/20/96/20/1173209620.db2.gz MYMNYXYZPVEEHV-UWVGGRQHSA-N 1 2 271.324 1.942 20 10 CDCDLO CCOCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590813294 1173520169 /nfs/dbraw/zinc/52/01/69/1173520169.db2.gz LGYGXLBVZBXKDH-VIFPVBQESA-N 1 2 277.328 1.259 20 10 CDCDLO Oc1c(F)cccc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000827120148 697708127 /nfs/dbraw/zinc/70/81/27/697708127.db2.gz QBGGFZXFXCJPMZ-CYBMUJFWSA-N 1 2 280.343 1.438 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000827120148 697708147 /nfs/dbraw/zinc/70/81/47/697708147.db2.gz QBGGFZXFXCJPMZ-CYBMUJFWSA-N 1 2 280.343 1.438 20 10 CDCDLO CC[N@H+](CC(=O)NC)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000050143231 697756715 /nfs/dbraw/zinc/75/67/15/697756715.db2.gz SBVGWGUJYSPKPO-UHFFFAOYSA-N 1 2 298.770 1.816 20 10 CDCDLO CC[N@@H+](CC(=O)NC)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000050143231 697756717 /nfs/dbraw/zinc/75/67/17/697756717.db2.gz SBVGWGUJYSPKPO-UHFFFAOYSA-N 1 2 298.770 1.816 20 10 CDCDLO Cn1nnc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000799302457 698043404 /nfs/dbraw/zinc/04/34/04/698043404.db2.gz LSPOCSQRLAFXQF-UHFFFAOYSA-N 1 2 287.367 1.861 20 10 CDCDLO Cn1nnc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000799302457 698043409 /nfs/dbraw/zinc/04/34/09/698043409.db2.gz LSPOCSQRLAFXQF-UHFFFAOYSA-N 1 2 287.367 1.861 20 10 CDCDLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccc(N(C)C)cc1 ZINC000775835652 698953595 /nfs/dbraw/zinc/95/35/95/698953595.db2.gz HQZGGEGSMUEXNC-LLVKDONJSA-N 1 2 271.368 1.976 20 10 CDCDLO Cc1cccc(O)c1C[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000877617106 704883082 /nfs/dbraw/zinc/88/30/82/704883082.db2.gz KNFIISOBEZKKFH-ZDUSSCGKSA-N 1 2 288.351 1.960 20 10 CDCDLO CN(C)c1ccc(CNC(=O)C[NH+]2CCSCC2)cc1 ZINC000103468152 705176277 /nfs/dbraw/zinc/17/62/77/705176277.db2.gz ZFRKKCQANHVUMP-UHFFFAOYSA-N 1 2 293.436 1.418 20 10 CDCDLO Cc1cc(C[N@@H+]2CCSC[C@H]2C(N)=O)ccc1N(C)C ZINC000815080694 705209974 /nfs/dbraw/zinc/20/99/74/705209974.db2.gz IGVJTHVSSFAUIF-AWEZNQCLSA-N 1 2 293.436 1.464 20 10 CDCDLO Cc1cc(C[N@H+]2CCSC[C@H]2C(N)=O)ccc1N(C)C ZINC000815080694 705209988 /nfs/dbraw/zinc/20/99/88/705209988.db2.gz IGVJTHVSSFAUIF-AWEZNQCLSA-N 1 2 293.436 1.464 20 10 CDCDLO COCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000839143507 848174013 /nfs/dbraw/zinc/17/40/13/848174013.db2.gz NTCMQKSCJQAZJD-UHFFFAOYSA-N 1 2 296.323 1.777 20 10 CDCDLO COc1c(O)c(CNCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000841030371 848186206 /nfs/dbraw/zinc/18/62/06/848186206.db2.gz GKWUOAUKARMGQU-UHFFFAOYSA-N 1 2 269.301 1.136 20 10 CDCDLO Cn1nnc(C[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC000816593818 848658309 /nfs/dbraw/zinc/65/83/09/848658309.db2.gz FVBQEAKHHZENOS-UHFFFAOYSA-N 1 2 269.308 1.359 20 10 CDCDLO CC[N@H+](CC(=O)NC)Cc1cc(Cl)cc(F)c1O ZINC000775652648 849207089 /nfs/dbraw/zinc/20/70/89/849207089.db2.gz OTUOAHKZLNOACL-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO CC[N@@H+](CC(=O)NC)Cc1cc(Cl)cc(F)c1O ZINC000775652648 849207097 /nfs/dbraw/zinc/20/70/97/849207097.db2.gz OTUOAHKZLNOACL-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883044878 849800973 /nfs/dbraw/zinc/80/09/73/849800973.db2.gz GSHLHALTNCBHTL-LLVKDONJSA-N 1 2 284.306 1.771 20 10 CDCDLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCc2cccc(O)c2C1 ZINC001178105108 915175658 /nfs/dbraw/zinc/17/56/58/915175658.db2.gz LUUHURSOHIYEAT-ZDUSSCGKSA-N 1 2 297.358 1.736 20 10 CDCDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137832071 936416566 /nfs/dbraw/zinc/41/65/66/936416566.db2.gz ZOSLOTMXTLZBCJ-CYBMUJFWSA-N 1 2 271.263 1.618 20 10 CDCDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137832071 936416567 /nfs/dbraw/zinc/41/65/67/936416567.db2.gz ZOSLOTMXTLZBCJ-CYBMUJFWSA-N 1 2 271.263 1.618 20 10 CDCDLO Cn1cnc2c1C[N@H+](Cc1c(O)cccc1F)CC2 ZINC001137841804 936420370 /nfs/dbraw/zinc/42/03/70/936420370.db2.gz VVHPAIFOBWWWNX-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Cn1cnc2c1C[N@@H+](Cc1c(O)cccc1F)CC2 ZINC001137841804 936420372 /nfs/dbraw/zinc/42/03/72/936420372.db2.gz VVHPAIFOBWWWNX-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO COCCOC1C[NH+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359838 936525802 /nfs/dbraw/zinc/52/58/02/936525802.db2.gz JPNZILCPKHMQLY-UHFFFAOYSA-N 1 2 290.407 1.916 20 10 CDCDLO CN1CCCc2cc(C[NH+]3CCN(C#N)CC3)ccc21 ZINC001138360169 936526010 /nfs/dbraw/zinc/52/60/10/936526010.db2.gz NXKGVVGEKSQNAA-UHFFFAOYSA-N 1 2 270.380 1.668 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H]1CO ZINC001139124872 936599662 /nfs/dbraw/zinc/59/96/62/936599662.db2.gz GQICAUWTFZLJGZ-LLVKDONJSA-N 1 2 289.331 1.764 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H]1CO ZINC001139124872 936599663 /nfs/dbraw/zinc/59/96/63/936599663.db2.gz GQICAUWTFZLJGZ-LLVKDONJSA-N 1 2 289.331 1.764 20 10 CDCDLO C[C@@]1(CO)CC[N@H+](Cc2c(O)cc(F)cc2F)C[C@@H]1O ZINC001140583156 936727904 /nfs/dbraw/zinc/72/79/04/936727904.db2.gz XKAFKRJSAIWFGM-KBPBESRZSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@@]1(CO)CC[N@@H+](Cc2c(O)cc(F)cc2F)C[C@@H]1O ZINC001140583156 936727905 /nfs/dbraw/zinc/72/79/05/936727905.db2.gz XKAFKRJSAIWFGM-KBPBESRZSA-N 1 2 287.306 1.236 20 10 CDCDLO COC(=O)N1CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001137833100 922547595 /nfs/dbraw/zinc/54/75/95/922547595.db2.gz SNTQOYMIBQIJTM-UHFFFAOYSA-N 1 2 282.315 1.805 20 10 CDCDLO COC(=O)N1CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001137833100 922547614 /nfs/dbraw/zinc/54/76/14/922547614.db2.gz SNTQOYMIBQIJTM-UHFFFAOYSA-N 1 2 282.315 1.805 20 10 CDCDLO OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1c(O)cccc1F ZINC001137840345 923116696 /nfs/dbraw/zinc/11/66/96/923116696.db2.gz YJVATNULUONVIX-LBPRGKRZSA-N 1 2 291.326 1.495 20 10 CDCDLO OC[C@@H]1CCn2nccc2C[N@H+]1Cc1c(O)cccc1F ZINC001137840345 923116704 /nfs/dbraw/zinc/11/67/04/923116704.db2.gz YJVATNULUONVIX-LBPRGKRZSA-N 1 2 291.326 1.495 20 10 CDCDLO Oc1ccc(O)c(C[NH+]2CCN(CC(F)(F)F)CC2)c1 ZINC001141159683 936822281 /nfs/dbraw/zinc/82/22/81/936822281.db2.gz JPFPAHWWIKQFJY-UHFFFAOYSA-N 1 2 290.285 1.778 20 10 CDCDLO Oc1cc(F)c(F)cc1C[NH+]1CC2(CC(O)C2)C1 ZINC001142508841 937025221 /nfs/dbraw/zinc/02/52/21/937025221.db2.gz NQHFUCHJMLSJES-UHFFFAOYSA-N 1 2 255.264 1.627 20 10 CDCDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530244 937028205 /nfs/dbraw/zinc/02/82/05/937028205.db2.gz AUEJMHAWHGHPCV-JTQLQIEISA-N 1 2 299.321 1.564 20 10 CDCDLO [NH3+][C@H]1CN(Cc2cc(Cl)c(O)cc2O)CCC1(F)F ZINC001206674000 938769378 /nfs/dbraw/zinc/76/93/78/938769378.db2.gz CFEZWZLLWVDMLP-NSHDSACASA-N 1 2 292.713 1.920 20 10 CDCDLO CN(Cc1cc(Cl)c(O)cc1O)[C@@H]1CC[N@H+](C)C1 ZINC001232264674 943195467 /nfs/dbraw/zinc/19/54/67/943195467.db2.gz LYWYCPRSVVRJGA-SNVBAGLBSA-N 1 2 270.760 1.887 20 10 CDCDLO CN(Cc1cc(Cl)c(O)cc1O)[C@@H]1CC[N@@H+](C)C1 ZINC001232264674 943195472 /nfs/dbraw/zinc/19/54/72/943195472.db2.gz LYWYCPRSVVRJGA-SNVBAGLBSA-N 1 2 270.760 1.887 20 10 CDCDLO CN1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(O)cc2O)C1 ZINC001232264674 943195476 /nfs/dbraw/zinc/19/54/76/943195476.db2.gz LYWYCPRSVVRJGA-SNVBAGLBSA-N 1 2 270.760 1.887 20 10 CDCDLO CN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(O)cc2O)C1 ZINC001232264674 943195481 /nfs/dbraw/zinc/19/54/81/943195481.db2.gz LYWYCPRSVVRJGA-SNVBAGLBSA-N 1 2 270.760 1.887 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCc2nncn2CC1 ZINC001233332294 943545407 /nfs/dbraw/zinc/54/54/07/943545407.db2.gz GJIPNOLTVUJYHE-UHFFFAOYSA-N 1 2 280.278 1.320 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCc2nncn2CC1 ZINC001233332294 943545409 /nfs/dbraw/zinc/54/54/09/943545409.db2.gz GJIPNOLTVUJYHE-UHFFFAOYSA-N 1 2 280.278 1.320 20 10 CDCDLO C[C@]1(CO)C[N@H+](Cc2c(O)ccc(F)c2F)CC[C@H]1O ZINC001233332805 943545771 /nfs/dbraw/zinc/54/57/71/943545771.db2.gz YACCPBARVLAEHE-TZMCWYRMSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@]1(CO)C[N@@H+](Cc2c(O)ccc(F)c2F)CC[C@H]1O ZINC001233332805 943545773 /nfs/dbraw/zinc/54/57/73/943545773.db2.gz YACCPBARVLAEHE-TZMCWYRMSA-N 1 2 287.306 1.236 20 10 CDCDLO Oc1cc(O)c(C[NH+]2CCN(C3CC3)CC2)cc1O ZINC001233482702 943591435 /nfs/dbraw/zinc/59/14/35/943591435.db2.gz YZIZMASQUARKSX-UHFFFAOYSA-N 1 2 264.325 1.083 20 10 CDCDLO CC(=O)C[N@@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236766444 944562608 /nfs/dbraw/zinc/56/26/08/944562608.db2.gz HAZMDDWNDHYRQI-UHFFFAOYSA-N 1 2 288.141 1.881 20 10 CDCDLO CC(=O)C[N@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236766444 944562612 /nfs/dbraw/zinc/56/26/12/944562612.db2.gz HAZMDDWNDHYRQI-UHFFFAOYSA-N 1 2 288.141 1.881 20 10 CDCDLO COC(=O)C1C[NH+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236799001 944571658 /nfs/dbraw/zinc/57/16/58/944571658.db2.gz QRBDIJPZCODGDG-UHFFFAOYSA-N 1 2 285.727 1.659 20 10 CDCDLO COc1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(O)c1Cl ZINC001236806557 944572529 /nfs/dbraw/zinc/57/25/29/944572529.db2.gz BSGHRNUJTAIOPQ-NSHDSACASA-N 1 2 298.770 1.765 20 10 CDCDLO COc1ccc(C[N@H+]2CC[C@H](NC(C)=O)C2)c(O)c1Cl ZINC001236806557 944572532 /nfs/dbraw/zinc/57/25/32/944572532.db2.gz BSGHRNUJTAIOPQ-NSHDSACASA-N 1 2 298.770 1.765 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@@H]1O ZINC001237935179 945010859 /nfs/dbraw/zinc/01/08/59/945010859.db2.gz RAOLDPFPELUUKD-CABZTGNLSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@@H]1O ZINC001237935179 945010865 /nfs/dbraw/zinc/01/08/65/945010865.db2.gz RAOLDPFPELUUKD-CABZTGNLSA-N 1 2 289.734 1.360 20 10 CDCDLO Cc1cc(F)cc(C[N@H+]2CCN3CC[C@H]3C2)c1O ZINC001238066544 945047703 /nfs/dbraw/zinc/04/77/03/945047703.db2.gz MMJSQOFKZHSTHU-ZDUSSCGKSA-N 1 2 250.317 1.730 20 10 CDCDLO CC[N@H+](CC(=O)OC)Cc1ccc(CC(=O)OC)cc1O ZINC001249217096 949458387 /nfs/dbraw/zinc/45/83/87/949458387.db2.gz MFBPTUBWKYXJRW-UHFFFAOYSA-N 1 2 295.335 1.103 20 10 CDCDLO CC[N@@H+](CC(=O)OC)Cc1ccc(CC(=O)OC)cc1O ZINC001249217096 949458402 /nfs/dbraw/zinc/45/84/02/949458402.db2.gz MFBPTUBWKYXJRW-UHFFFAOYSA-N 1 2 295.335 1.103 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCn3cncc3C2)cc1 ZINC000367966778 282289830 /nfs/dbraw/zinc/28/98/30/282289830.db2.gz RDRGYQVXEFFHIH-UHFFFAOYSA-N 1 2 256.353 1.965 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCn3cncc3C2)cc1 ZINC000367966778 282289833 /nfs/dbraw/zinc/28/98/33/282289833.db2.gz RDRGYQVXEFFHIH-UHFFFAOYSA-N 1 2 256.353 1.965 20 10 CDCDLO CN(C)c1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000367966778 282289835 /nfs/dbraw/zinc/28/98/35/282289835.db2.gz RDRGYQVXEFFHIH-UHFFFAOYSA-N 1 2 256.353 1.965 20 10 CDCDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000268489034 364055469 /nfs/dbraw/zinc/05/54/69/364055469.db2.gz UTXCBZNKXRRBEH-JTQLQIEISA-N 1 2 295.335 1.893 20 10 CDCDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000268489034 364055472 /nfs/dbraw/zinc/05/54/72/364055472.db2.gz UTXCBZNKXRRBEH-JTQLQIEISA-N 1 2 295.335 1.893 20 10 CDCDLO C[C@H](O)c1cn(C2C[NH+](Cc3cc(F)ccc3O)C2)nn1 ZINC000374798621 370756963 /nfs/dbraw/zinc/75/69/63/370756963.db2.gz HQGXZFKLSNZTJT-VIFPVBQESA-N 1 2 292.314 1.233 20 10 CDCDLO COC(=O)C[N@H+](Cc1cc2c(cc1O)OCO2)C(C)C ZINC000271065460 364902918 /nfs/dbraw/zinc/90/29/18/364902918.db2.gz DQHNSFNLMBEXJC-UHFFFAOYSA-N 1 2 281.308 1.504 20 10 CDCDLO COC(=O)C[N@@H+](Cc1cc2c(cc1O)OCO2)C(C)C ZINC000271065460 364902920 /nfs/dbraw/zinc/90/29/20/364902920.db2.gz DQHNSFNLMBEXJC-UHFFFAOYSA-N 1 2 281.308 1.504 20 10 CDCDLO CNC(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000271182054 364964429 /nfs/dbraw/zinc/96/44/29/364964429.db2.gz KETSYBCDNHJPJH-UHFFFAOYSA-N 1 2 283.759 1.503 20 10 CDCDLO CN1CC[N@H+](Cc2cc3c(cc2O)OCO3)C(C)(C)C1=O ZINC000093642748 390903717 /nfs/dbraw/zinc/90/37/17/390903717.db2.gz HGQXHNHHSOZBFM-UHFFFAOYSA-N 1 2 292.335 1.174 20 10 CDCDLO CN1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C(C)(C)C1=O ZINC000093642748 390903719 /nfs/dbraw/zinc/90/37/19/390903719.db2.gz HGQXHNHHSOZBFM-UHFFFAOYSA-N 1 2 292.335 1.174 20 10 CDCDLO COc1c(O)c(C[N@@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278186993 286187070 /nfs/dbraw/zinc/18/70/70/286187070.db2.gz HOCZWPLZNSPFBO-VIFPVBQESA-N 1 2 282.296 1.530 20 10 CDCDLO COc1c(O)c(C[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278186993 286187071 /nfs/dbraw/zinc/18/70/71/286187071.db2.gz HOCZWPLZNSPFBO-VIFPVBQESA-N 1 2 282.296 1.530 20 10 CDCDLO C[C@@H](O)CN1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000276188454 328217278 /nfs/dbraw/zinc/21/72/78/328217278.db2.gz IVLWQFSMPVRBMP-LLVKDONJSA-N 1 2 268.332 1.030 20 10 CDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000188789464 329372284 /nfs/dbraw/zinc/37/22/84/329372284.db2.gz BGTGUNVUAKPHLT-LSDHHAIUSA-N 1 2 292.379 1.251 20 10 CDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000188789464 329372285 /nfs/dbraw/zinc/37/22/85/329372285.db2.gz BGTGUNVUAKPHLT-LSDHHAIUSA-N 1 2 292.379 1.251 20 10 CDCDLO Oc1cc(F)c(F)cc1C[NH+]1CC2(C1)CCOC2 ZINC001142509166 1160689152 /nfs/dbraw/zinc/68/91/52/1160689152.db2.gz ZGXQLLFPJKPNQI-UHFFFAOYSA-N 1 2 255.264 1.893 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC(=O)N(C)C)c1O ZINC000050133713 518279921 /nfs/dbraw/zinc/27/99/21/518279921.db2.gz DXEXCDPZRNBGKK-UHFFFAOYSA-N 1 2 298.770 1.768 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC(=O)N(C)C)c1O ZINC000050133713 518279928 /nfs/dbraw/zinc/27/99/28/518279928.db2.gz DXEXCDPZRNBGKK-UHFFFAOYSA-N 1 2 298.770 1.768 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CC[C@@](F)(CO)C2)cc1Cl ZINC001232265947 1161029695 /nfs/dbraw/zinc/02/96/95/1161029695.db2.gz HNDVRMNMNHGAIO-ZDUSSCGKSA-N 1 2 289.734 1.961 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CC[C@@](F)(CO)C2)cc1Cl ZINC001232265947 1161029700 /nfs/dbraw/zinc/02/97/00/1161029700.db2.gz HNDVRMNMNHGAIO-ZDUSSCGKSA-N 1 2 289.734 1.961 20 10 CDCDLO COC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000234867145 522302801 /nfs/dbraw/zinc/30/28/01/522302801.db2.gz ZAJGUJCDLNUTOH-SECBINFHSA-N 1 2 280.151 1.796 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1c(O)cccc1Cl ZINC000131230952 523137514 /nfs/dbraw/zinc/13/75/14/523137514.db2.gz DHZGWEKCIPFCFL-LLVKDONJSA-N 1 2 268.744 1.756 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000131230952 523137521 /nfs/dbraw/zinc/13/75/21/523137521.db2.gz DHZGWEKCIPFCFL-LLVKDONJSA-N 1 2 268.744 1.756 20 10 CDCDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000771418863 575578035 /nfs/dbraw/zinc/57/80/35/575578035.db2.gz OPWWZIPUYWZTDS-DTWKUNHWSA-N 1 2 254.355 1.618 20 10 CDCDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000771418863 575578036 /nfs/dbraw/zinc/57/80/36/575578036.db2.gz OPWWZIPUYWZTDS-DTWKUNHWSA-N 1 2 254.355 1.618 20 10 CDCDLO O=C(NCc1ccccc1O)[C@H]1CCn2cc[nH+]c2C1 ZINC000749223800 576939339 /nfs/dbraw/zinc/93/93/39/576939339.db2.gz PMUKQNDXKLOEGW-NSHDSACASA-N 1 2 271.320 1.468 20 10 CDCDLO COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756591933 576997011 /nfs/dbraw/zinc/99/70/11/576997011.db2.gz HEURIXRPYASKRE-WCBMZHEXSA-N 1 2 275.295 1.718 20 10 CDCDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(CO)on1 ZINC000924901165 618734289 /nfs/dbraw/zinc/73/42/89/618734289.db2.gz QHVVBKZQSCSRTN-JTQLQIEISA-N 1 2 274.320 1.953 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCO[C@H](OC)C2)c1O ZINC000895971080 619929037 /nfs/dbraw/zinc/92/90/37/619929037.db2.gz WVUICKYYWOOOOL-ZDUSSCGKSA-N 1 2 267.325 1.596 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCO[C@H](OC)C2)c1O ZINC000895971080 619929041 /nfs/dbraw/zinc/92/90/41/619929041.db2.gz WVUICKYYWOOOOL-ZDUSSCGKSA-N 1 2 267.325 1.596 20 10 CDCDLO CC[C@H](COC)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604039108 1175728444 /nfs/dbraw/zinc/72/84/44/1175728444.db2.gz GFKQKSHILMREAU-VHSXEESVSA-N 1 2 291.355 1.648 20 10 CDCDLO C[C@@H](NCC(F)(F)C[NH3+])c1cc(F)cc(F)c1O ZINC000817966495 705546639 /nfs/dbraw/zinc/54/66/39/705546639.db2.gz PBPQHWQRMYPPAN-ZCFIWIBFSA-N 1 2 266.238 1.915 20 10 CDCDLO CCn1ncnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000793346456 705793459 /nfs/dbraw/zinc/79/34/59/705793459.db2.gz QSDANEWEKRFFHV-UHFFFAOYSA-N 1 2 258.325 1.523 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1cccc(C)c1O ZINC000180253882 705951624 /nfs/dbraw/zinc/95/16/24/705951624.db2.gz MVGFJRNHYIREKF-UHFFFAOYSA-N 1 2 267.325 1.322 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1cccc(C)c1O ZINC000180253882 705951633 /nfs/dbraw/zinc/95/16/33/705951633.db2.gz MVGFJRNHYIREKF-UHFFFAOYSA-N 1 2 267.325 1.322 20 10 CDCDLO OC[C@@]12C[C@@H]1C[N@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000816586869 709699256 /nfs/dbraw/zinc/69/92/56/709699256.db2.gz WJAOLZOMDFXIHA-RNCFNFMXSA-N 1 2 271.719 1.999 20 10 CDCDLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000816586869 709699287 /nfs/dbraw/zinc/69/92/87/709699287.db2.gz WJAOLZOMDFXIHA-RNCFNFMXSA-N 1 2 271.719 1.999 20 10 CDCDLO COCC[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000798940139 710250614 /nfs/dbraw/zinc/25/06/14/710250614.db2.gz AOCPCIOHNFBHBI-WCBMZHEXSA-N 1 2 275.295 1.718 20 10 CDCDLO COc1ccc(O)c(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000814178793 710481157 /nfs/dbraw/zinc/48/11/57/710481157.db2.gz DFHOCNAMUYQDQT-GFCCVEGCSA-N 1 2 279.336 1.927 20 10 CDCDLO COc1ccc(O)c(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000814178793 710481158 /nfs/dbraw/zinc/48/11/58/710481158.db2.gz DFHOCNAMUYQDQT-GFCCVEGCSA-N 1 2 279.336 1.927 20 10 CDCDLO CCOC(=O)C[N@H+](CC)Cc1cc(F)ccc1O ZINC000179972201 711447442 /nfs/dbraw/zinc/44/74/42/711447442.db2.gz MKQHZUCDSMGHGQ-UHFFFAOYSA-N 1 2 255.289 1.916 20 10 CDCDLO CCOC(=O)C[N@@H+](CC)Cc1cc(F)ccc1O ZINC000179972201 711447444 /nfs/dbraw/zinc/44/74/44/711447444.db2.gz MKQHZUCDSMGHGQ-UHFFFAOYSA-N 1 2 255.289 1.916 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)Cc1c[nH+]cn1C ZINC000776335709 711466051 /nfs/dbraw/zinc/46/60/51/711466051.db2.gz LKIAEELXNXBZOM-UHFFFAOYSA-N 1 2 259.309 1.327 20 10 CDCDLO C[C@H](NCC[NH3+])c1cc(Br)ccc1O ZINC000817934083 711601674 /nfs/dbraw/zinc/60/16/74/711601674.db2.gz BQNVRGXXZODQPY-ZETCQYMHSA-N 1 2 259.147 1.764 20 10 CDCDLO C[C@H]([NH2+]CCN)c1cc(Br)ccc1O ZINC000817934083 711601678 /nfs/dbraw/zinc/60/16/78/711601678.db2.gz BQNVRGXXZODQPY-ZETCQYMHSA-N 1 2 259.147 1.764 20 10 CDCDLO O=C(/C=C/c1ccc(O)c(O)c1)OCCCn1cc[nH+]c1 ZINC000784286438 711616706 /nfs/dbraw/zinc/61/67/06/711616706.db2.gz LJEJKFYPKJGHMX-HWKANZROSA-N 1 2 288.303 1.941 20 10 CDCDLO Cc1ccc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(O)c1 ZINC000877568002 711766826 /nfs/dbraw/zinc/76/68/26/711766826.db2.gz DPAFAEPLWIRSSI-OKILXGFUSA-N 1 2 278.396 1.588 20 10 CDCDLO Cc1ccc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(O)c1 ZINC000877568002 711766827 /nfs/dbraw/zinc/76/68/27/711766827.db2.gz DPAFAEPLWIRSSI-OKILXGFUSA-N 1 2 278.396 1.588 20 10 CDCDLO COC(=O)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137831835 936416938 /nfs/dbraw/zinc/41/69/38/936416938.db2.gz PLQSRZOJAQZINL-UHFFFAOYSA-N 1 2 268.288 1.415 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001138122515 936474071 /nfs/dbraw/zinc/47/40/71/936474071.db2.gz KANSYKCJPIRUKP-UHFFFAOYSA-N 1 2 254.280 1.369 20 10 CDCDLO C[NH+](C)C[C@H]1CN(Cc2c(O)cc(F)cc2F)CCO1 ZINC001140583187 936727566 /nfs/dbraw/zinc/72/75/66/936727566.db2.gz YKCXCGBMJXKRPQ-NSHDSACASA-N 1 2 286.322 1.433 20 10 CDCDLO Cc1cc(C[N@H+](C)Cc2n[nH]c(=O)o2)ccc1N(C)C ZINC000852186748 927734778 /nfs/dbraw/zinc/73/47/78/927734778.db2.gz IKRDFXIIUVTNPJ-UHFFFAOYSA-N 1 2 276.340 1.782 20 10 CDCDLO Cc1cc(C[N@@H+](C)Cc2n[nH]c(=O)o2)ccc1N(C)C ZINC000852186748 927734786 /nfs/dbraw/zinc/73/47/86/927734786.db2.gz IKRDFXIIUVTNPJ-UHFFFAOYSA-N 1 2 276.340 1.782 20 10 CDCDLO COC(=O)c1cc2c([n-]1)nc[nH+]c2NCc1ccc([NH3+])cc1 ZINC001162784720 939137946 /nfs/dbraw/zinc/13/79/46/939137946.db2.gz UAZZCWKGTHJURC-UHFFFAOYSA-N 1 2 297.318 1.939 20 10 CDCDLO [NH3+][C@H]1C[C@@H](F)CN(Cc2c(F)ccc(F)c2O)C1 ZINC001206422088 940035475 /nfs/dbraw/zinc/03/54/75/940035475.db2.gz BAGDFYFMQMBMFH-SFYZADRCSA-N 1 2 260.259 1.542 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCCO1 ZINC001231914865 943053552 /nfs/dbraw/zinc/05/35/52/943053552.db2.gz SVMGFKKSCBANOM-LBPRGKRZSA-N 1 2 299.754 1.810 20 10 CDCDLO Oc1ccc(F)c(F)c1C[NH+]1CC2(C1)CCOC2 ZINC001233332007 943545698 /nfs/dbraw/zinc/54/56/98/943545698.db2.gz SVWQJEUOUBMIDC-UHFFFAOYSA-N 1 2 255.264 1.893 20 10 CDCDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)n1 ZINC001233486522 943595170 /nfs/dbraw/zinc/59/51/70/943595170.db2.gz PRNZTCWTLYBJRS-JTQLQIEISA-N 1 2 291.307 1.832 20 10 CDCDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc(O)c(O)cc2O)n1 ZINC001233486522 943595172 /nfs/dbraw/zinc/59/51/72/943595172.db2.gz PRNZTCWTLYBJRS-JTQLQIEISA-N 1 2 291.307 1.832 20 10 CDCDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nnnn1C ZINC001308544906 956543523 /nfs/dbraw/zinc/54/35/23/956543523.db2.gz XNKZVQVDATZBFP-SNVBAGLBSA-N 1 2 273.340 1.386 20 10 CDCDLO Cc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(O)c1O ZINC000272527495 365277669 /nfs/dbraw/zinc/27/76/69/365277669.db2.gz ABYVODMCMOJGOZ-JTQLQIEISA-N 1 2 275.308 1.421 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CC(=O)NCC2(C)C)cc1F ZINC000282718643 368005254 /nfs/dbraw/zinc/00/52/54/368005254.db2.gz LIMSYRLIJSOOOB-UHFFFAOYSA-N 1 2 279.359 1.602 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CC(=O)NCC2(C)C)cc1F ZINC000282718643 368005257 /nfs/dbraw/zinc/00/52/57/368005257.db2.gz LIMSYRLIJSOOOB-UHFFFAOYSA-N 1 2 279.359 1.602 20 10 CDCDLO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)no1 ZINC000057592419 375536788 /nfs/dbraw/zinc/53/67/88/375536788.db2.gz IVPROHWKJITSIK-UHFFFAOYSA-N 1 2 263.253 1.887 20 10 CDCDLO C[C@]1(C(N)=O)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000235746822 375875655 /nfs/dbraw/zinc/87/56/55/375875655.db2.gz YDUYWGBPYWJSAN-ZDUSSCGKSA-N 1 2 268.744 1.743 20 10 CDCDLO C[C@]1(C(N)=O)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000235746822 375875663 /nfs/dbraw/zinc/87/56/63/375875663.db2.gz YDUYWGBPYWJSAN-ZDUSSCGKSA-N 1 2 268.744 1.743 20 10 CDCDLO COC(=O)COc1ccc(N(C)Cc2c[nH+]cn2C)cc1 ZINC000183812712 391270836 /nfs/dbraw/zinc/27/08/36/391270836.db2.gz RIHZBQBRXMKHCB-UHFFFAOYSA-N 1 2 289.335 1.608 20 10 CDCDLO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(F)c(F)c2O)n1 ZINC000276935359 328220422 /nfs/dbraw/zinc/22/04/22/328220422.db2.gz OUPXSLPVGJONKE-ZETCQYMHSA-N 1 2 282.294 1.990 20 10 CDCDLO COC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756343243 576986307 /nfs/dbraw/zinc/98/63/07/576986307.db2.gz WGGCISKTFZGCNE-BDAKNGLRSA-N 1 2 254.286 1.986 20 10 CDCDLO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1O ZINC000756524448 576993714 /nfs/dbraw/zinc/99/37/14/576993714.db2.gz FTMNVAOKHOWCDG-CBAPKCEASA-N 1 2 270.279 1.552 20 10 CDCDLO COc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)c(O)c1OC ZINC000892092306 617476650 /nfs/dbraw/zinc/47/66/50/617476650.db2.gz SIBBVEKDJBXDOX-UHFFFAOYSA-N 1 2 289.335 1.691 20 10 CDCDLO COc1ccc(C[N@H+]2CCc3c[nH]nc3C2)c(O)c1OC ZINC000892092306 617476653 /nfs/dbraw/zinc/47/66/53/617476653.db2.gz SIBBVEKDJBXDOX-UHFFFAOYSA-N 1 2 289.335 1.691 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815036807 618466374 /nfs/dbraw/zinc/46/63/74/618466374.db2.gz BUYHLPPYXMQKBY-OAHLLOKOSA-N 1 2 292.379 1.435 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815036807 618466378 /nfs/dbraw/zinc/46/63/78/618466378.db2.gz BUYHLPPYXMQKBY-OAHLLOKOSA-N 1 2 292.379 1.435 20 10 CDCDLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000895328902 619567294 /nfs/dbraw/zinc/56/72/94/619567294.db2.gz HLFXFETWLAVVRW-GWCFXTLKSA-N 1 2 289.734 1.502 20 10 CDCDLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000895328902 619567296 /nfs/dbraw/zinc/56/72/96/619567296.db2.gz HLFXFETWLAVVRW-GWCFXTLKSA-N 1 2 289.734 1.502 20 10 CDCDLO CCOC(=O)/C(=C/c1c[nH+]cn1CC)c1nccn1C ZINC000901464923 624280839 /nfs/dbraw/zinc/28/08/39/624280839.db2.gz PZKMJETZPDAYER-XYOKQWHBSA-N 1 2 274.324 1.740 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(C(=O)[O-])ccc1O ZINC001604356784 1163162604 /nfs/dbraw/zinc/16/26/04/1163162604.db2.gz DBKPRDPVMJEFAI-KOLCDFICSA-N 1 2 264.325 1.493 20 10 CDCDLO CC[C@@H](CCO)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590439966 1173411823 /nfs/dbraw/zinc/41/18/23/1173411823.db2.gz VCCGFEISZXWQIZ-ZJUUUORDSA-N 1 2 291.355 1.384 20 10 CDCDLO CC[C@H]([NH2+]C1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604056001 1175737027 /nfs/dbraw/zinc/73/70/27/1175737027.db2.gz SKBUEUDJTJYOTD-NSHDSACASA-N 1 2 259.313 1.775 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1CO ZINC000877765208 712029709 /nfs/dbraw/zinc/02/97/09/712029709.db2.gz VMXQJSOCVJEDAG-PHIMTYICSA-N 1 2 271.744 1.078 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1CO ZINC000877765208 712029711 /nfs/dbraw/zinc/02/97/11/712029711.db2.gz VMXQJSOCVJEDAG-PHIMTYICSA-N 1 2 271.744 1.078 20 10 CDCDLO COCC[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000798940137 712417783 /nfs/dbraw/zinc/41/77/83/712417783.db2.gz AOCPCIOHNFBHBI-PSASIEDQSA-N 1 2 275.295 1.718 20 10 CDCDLO OCC[NH+]1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775634694 712713428 /nfs/dbraw/zinc/71/34/28/712713428.db2.gz USYRLUKXYGQHTI-UHFFFAOYSA-N 1 2 288.750 1.295 20 10 CDCDLO COc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)c(O)c1 ZINC000794373281 712719596 /nfs/dbraw/zinc/71/95/96/712719596.db2.gz IXTZYJGTBPCQDP-UHFFFAOYSA-N 1 2 275.308 1.373 20 10 CDCDLO COc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)c(O)c1 ZINC000794373281 712719597 /nfs/dbraw/zinc/71/95/97/712719597.db2.gz IXTZYJGTBPCQDP-UHFFFAOYSA-N 1 2 275.308 1.373 20 10 CDCDLO COc1cc(O)c(C[NH2+][C@@H](C)c2nc(C)no2)cc1OC ZINC000792176846 712787537 /nfs/dbraw/zinc/78/75/37/712787537.db2.gz OROHJSKOJFDZPE-QMMMGPOBSA-N 1 2 293.323 1.952 20 10 CDCDLO Cn1c[nH+]cc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001211250575 895641069 /nfs/dbraw/zinc/64/10/69/895641069.db2.gz MFHRGUGPHYORJU-UHFFFAOYSA-N 1 2 266.326 1.100 20 10 CDCDLO CC[C@H](C)[NH+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000839787625 905605017 /nfs/dbraw/zinc/60/50/17/905605017.db2.gz QBZIDXMFMJKCKS-JTQLQIEISA-N 1 2 296.342 1.793 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H]1CO ZINC001139124873 936599657 /nfs/dbraw/zinc/59/96/57/936599657.db2.gz GQICAUWTFZLJGZ-NSHDSACASA-N 1 2 289.331 1.764 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H]1CO ZINC001139124873 936599658 /nfs/dbraw/zinc/59/96/58/936599658.db2.gz GQICAUWTFZLJGZ-NSHDSACASA-N 1 2 289.331 1.764 20 10 CDCDLO Cc1ccc(O)c(C[N@@H+]2CCN(c3ccccn3)C(=O)C2)c1 ZINC001140623361 936732227 /nfs/dbraw/zinc/73/22/27/936732227.db2.gz MXIOSGKYLXUJOD-UHFFFAOYSA-N 1 2 297.358 1.944 20 10 CDCDLO Cc1ccc(O)c(C[N@H+]2CCN(c3ccccn3)C(=O)C2)c1 ZINC001140623361 936732228 /nfs/dbraw/zinc/73/22/28/936732228.db2.gz MXIOSGKYLXUJOD-UHFFFAOYSA-N 1 2 297.358 1.944 20 10 CDCDLO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1c(O)cccc1F ZINC000886592481 930914472 /nfs/dbraw/zinc/91/44/72/930914472.db2.gz VHDSXHQKWBMFIT-VIFPVBQESA-N 1 2 291.330 1.779 20 10 CDCDLO COCCOC1C[NH+](Cc2cc(OC)ccc2O)C1 ZINC000779432254 934568400 /nfs/dbraw/zinc/56/84/00/934568400.db2.gz QCVBNFHWCSFYKY-UHFFFAOYSA-N 1 2 267.325 1.248 20 10 CDCDLO CC(=O)N1CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@H]1C ZINC001203882038 939711310 /nfs/dbraw/zinc/71/13/10/939711310.db2.gz ZZKSPLXUMPUUSU-SNVBAGLBSA-N 1 2 264.325 1.150 20 10 CDCDLO CC(=O)N1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@H]1C ZINC001203882038 939711311 /nfs/dbraw/zinc/71/13/11/939711311.db2.gz ZZKSPLXUMPUUSU-SNVBAGLBSA-N 1 2 264.325 1.150 20 10 CDCDLO CCn1cc(C[NH2+][C@H](C)c2ccc(F)cc2O)nn1 ZINC000404440605 940962215 /nfs/dbraw/zinc/96/22/15/940962215.db2.gz GZXWPPLMDOSERJ-SECBINFHSA-N 1 2 264.304 1.994 20 10 CDCDLO COc1ncnc(OC)c1C[N@H+](C)Cc1ccccc1O ZINC001232520025 943316066 /nfs/dbraw/zinc/31/60/66/943316066.db2.gz NVLZSRRSNKBEBK-UHFFFAOYSA-N 1 2 289.335 1.831 20 10 CDCDLO COc1ncnc(OC)c1C[N@@H+](C)Cc1ccccc1O ZINC001232520025 943316068 /nfs/dbraw/zinc/31/60/68/943316068.db2.gz NVLZSRRSNKBEBK-UHFFFAOYSA-N 1 2 289.335 1.831 20 10 CDCDLO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c(O)c(OC)c1 ZINC001237674408 944918801 /nfs/dbraw/zinc/91/88/01/944918801.db2.gz GJHWFRODOLEUKB-VXGBXAGGSA-N 1 2 285.315 1.314 20 10 CDCDLO COc1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c(O)c(OC)c1 ZINC001237674408 944918809 /nfs/dbraw/zinc/91/88/09/944918809.db2.gz GJHWFRODOLEUKB-VXGBXAGGSA-N 1 2 285.315 1.314 20 10 CDCDLO COCCOC1C[NH+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237678268 944922986 /nfs/dbraw/zinc/92/29/86/944922986.db2.gz XRMXHHQRWIJBHB-UHFFFAOYSA-N 1 2 297.351 1.257 20 10 CDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237803387 944956850 /nfs/dbraw/zinc/95/68/50/944956850.db2.gz SWXZWEJMWMNYOM-NSHDSACASA-N 1 2 286.734 1.895 20 10 CDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237803387 944956852 /nfs/dbraw/zinc/95/68/52/944956852.db2.gz SWXZWEJMWMNYOM-NSHDSACASA-N 1 2 286.734 1.895 20 10 CDCDLO C[C@H]([NH2+]Cc1nnc[nH]1)c1ccc(N2CCOCC2)cc1 ZINC001333586404 958437534 /nfs/dbraw/zinc/43/75/34/958437534.db2.gz JDEWBGKTQBVLFW-LBPRGKRZSA-N 1 2 287.367 1.492 20 10 CDCDLO CCOc1ccc(N2CC[NH+](CC3OCCO3)CC2)cc1 ZINC001319877267 958767360 /nfs/dbraw/zinc/76/73/60/958767360.db2.gz LTYVKSVJPNXOOZ-UHFFFAOYSA-N 1 2 292.379 1.580 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(F)ccc1O ZINC000180068348 357240622 /nfs/dbraw/zinc/24/06/22/357240622.db2.gz RJOXGNHCYIDKGZ-LLVKDONJSA-N 1 2 252.289 1.242 20 10 CDCDLO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000281588237 367659768 /nfs/dbraw/zinc/65/97/68/367659768.db2.gz LNJOEXBTJINCIJ-DTWKUNHWSA-N 1 2 275.295 1.718 20 10 CDCDLO Oc1ccc(F)cc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000373125362 391106868 /nfs/dbraw/zinc/10/68/68/391106868.db2.gz NNRYHUPWILFMHC-GFCCVEGCSA-N 1 2 261.300 1.902 20 10 CDCDLO COc1c(O)c(C[N@@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278153822 286187154 /nfs/dbraw/zinc/18/71/54/286187154.db2.gz CQCAJARDRRVSPF-ZJUUUORDSA-N 1 2 296.323 1.918 20 10 CDCDLO COc1c(O)c(C[N@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278153822 286187155 /nfs/dbraw/zinc/18/71/55/286187155.db2.gz CQCAJARDRRVSPF-ZJUUUORDSA-N 1 2 296.323 1.918 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1O ZINC000276898501 287045174 /nfs/dbraw/zinc/04/51/74/287045174.db2.gz MZMMILWXDGWOOZ-BDAKNGLRSA-N 1 2 281.312 1.428 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000377835524 329030879 /nfs/dbraw/zinc/03/08/79/329030879.db2.gz USDCMMOJSTWGNU-JTQLQIEISA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1c(O)cccc1Cl ZINC000377835524 329030880 /nfs/dbraw/zinc/03/08/80/329030880.db2.gz USDCMMOJSTWGNU-JTQLQIEISA-N 1 2 299.754 1.810 20 10 CDCDLO CC[C@H](C(N)=O)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866571 523819760 /nfs/dbraw/zinc/81/97/60/523819760.db2.gz FWDRBFMEFAOPMA-CYBMUJFWSA-N 1 2 295.358 1.220 20 10 CDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCn1cc[nH+]c1 ZINC000274887891 524696948 /nfs/dbraw/zinc/69/69/48/524696948.db2.gz CDZCPBUKETZUAP-LLVKDONJSA-N 1 2 289.335 1.432 20 10 CDCDLO C[C@]1([NH2+]Cc2cccc(Cl)c2O)CCOC1=O ZINC000290822836 525297938 /nfs/dbraw/zinc/29/79/38/525297938.db2.gz GZNOAUIODSLDKK-LBPRGKRZSA-N 1 2 255.701 1.841 20 10 CDCDLO O=C(NCCCn1cc[nH+]c1)C1=CC(=O)CS1 ZINC000731865338 575066259 /nfs/dbraw/zinc/06/62/59/575066259.db2.gz BJOIEBOYYJQMDX-UHFFFAOYSA-N 1 2 251.311 1.470 20 10 CDCDLO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C1=CC(=O)CS1 ZINC000771742928 575607240 /nfs/dbraw/zinc/60/72/40/575607240.db2.gz HCHGSESWSRFZRZ-LLVKDONJSA-N 1 2 297.424 1.210 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000773852161 575841353 /nfs/dbraw/zinc/84/13/53/575841353.db2.gz XMXYFGZZAGXDBH-ZDUSSCGKSA-N 1 2 275.396 1.805 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000773852161 575841355 /nfs/dbraw/zinc/84/13/55/575841355.db2.gz XMXYFGZZAGXDBH-ZDUSSCGKSA-N 1 2 275.396 1.805 20 10 CDCDLO C[N@H+](Cc1nccs1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768466418 576287750 /nfs/dbraw/zinc/28/77/50/576287750.db2.gz QAKJSSDJEIRKFZ-LBPRGKRZSA-N 1 2 292.360 1.907 20 10 CDCDLO C[N@@H+](Cc1nccs1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768466418 576287751 /nfs/dbraw/zinc/28/77/51/576287751.db2.gz QAKJSSDJEIRKFZ-LBPRGKRZSA-N 1 2 292.360 1.907 20 10 CDCDLO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(F)cc(F)c1O ZINC000756568395 576996290 /nfs/dbraw/zinc/99/62/90/576996290.db2.gz DRTQIKDJKYSATF-CMPLNLGQSA-N 1 2 299.365 1.567 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1COCO1 ZINC000894876680 619114475 /nfs/dbraw/zinc/11/44/75/619114475.db2.gz TUIIBULOZVGNEX-SECBINFHSA-N 1 2 261.680 1.647 20 10 CDCDLO O=C1NCCN1CC[NH2+]Cc1cccc(Cl)c1O ZINC000895814864 619858355 /nfs/dbraw/zinc/85/83/55/619858355.db2.gz RFIFIROSMZEAGK-UHFFFAOYSA-N 1 2 269.732 1.160 20 10 CDCDLO [NH3+][C@H](CO)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC000083516945 1173474549 /nfs/dbraw/zinc/47/45/49/1173474549.db2.gz ZLUSLNVFBLSQIP-GFCCVEGCSA-N 1 2 270.292 1.519 20 10 CDCDLO CCNC(=O)C[N@H+](C)Cc1cccc(C(F)(F)F)c1O ZINC001233415929 912804917 /nfs/dbraw/zinc/80/49/17/912804917.db2.gz ONZPUQHKAPZNOC-UHFFFAOYSA-N 1 2 290.285 1.979 20 10 CDCDLO CCNC(=O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1O ZINC001233415929 912804934 /nfs/dbraw/zinc/80/49/34/912804934.db2.gz ONZPUQHKAPZNOC-UHFFFAOYSA-N 1 2 290.285 1.979 20 10 CDCDLO C[C@]1(CO)CC[N@H+](Cc2c(O)cc(F)cc2F)C[C@H]1O ZINC001140583159 896966026 /nfs/dbraw/zinc/96/60/26/896966026.db2.gz XKAFKRJSAIWFGM-ZIAGYGMSSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@]1(CO)CC[N@@H+](Cc2c(O)cc(F)cc2F)C[C@H]1O ZINC001140583159 896966042 /nfs/dbraw/zinc/96/60/42/896966042.db2.gz XKAFKRJSAIWFGM-ZIAGYGMSSA-N 1 2 287.306 1.236 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@H](F)CC2)c(OC)c1 ZINC001141032197 899348256 /nfs/dbraw/zinc/34/82/56/899348256.db2.gz VIGSFKQROZMFKK-GFCCVEGCSA-N 1 2 297.326 1.912 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@H](F)CC2)c(OC)c1 ZINC001141032197 899348267 /nfs/dbraw/zinc/34/82/67/899348267.db2.gz VIGSFKQROZMFKK-GFCCVEGCSA-N 1 2 297.326 1.912 20 10 CDCDLO COc1cc(Cl)cc(C[NH2+][C@@H](CN)C2CC2)c1O ZINC000841028028 906858462 /nfs/dbraw/zinc/85/84/62/906858462.db2.gz JOWADMWXPJHPSZ-NSHDSACASA-N 1 2 270.760 1.881 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000817415405 917313256 /nfs/dbraw/zinc/31/32/56/917313256.db2.gz SHXULNDRJZAMFJ-SECBINFHSA-N 1 2 286.734 1.895 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000817415405 917313280 /nfs/dbraw/zinc/31/32/80/917313280.db2.gz SHXULNDRJZAMFJ-SECBINFHSA-N 1 2 286.734 1.895 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001139125160 936599677 /nfs/dbraw/zinc/59/96/77/936599677.db2.gz NTWAUAJADDZFBN-HZMBPMFUSA-N 1 2 289.331 1.620 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC001139125160 936599679 /nfs/dbraw/zinc/59/96/79/936599679.db2.gz NTWAUAJADDZFBN-HZMBPMFUSA-N 1 2 289.331 1.620 20 10 CDCDLO C[C@H]1C[C@@H](CO)[N@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139683730 936634997 /nfs/dbraw/zinc/63/49/97/936634997.db2.gz DJHNZUJZEPDDKJ-IUCAKERBSA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@H]1C[C@@H](CO)[N@@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139683730 936634998 /nfs/dbraw/zinc/63/49/98/936634998.db2.gz DJHNZUJZEPDDKJ-IUCAKERBSA-N 1 2 257.280 1.873 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3ccnnc3)CC2)cc1 ZINC001139980271 936664227 /nfs/dbraw/zinc/66/42/27/936664227.db2.gz MBEAIVYXGDSROG-UHFFFAOYSA-N 1 2 284.363 1.807 20 10 CDCDLO C[N@@H+]1CC[C@H]2CN(Cc3c(O)cc(F)cc3F)C[C@H]21 ZINC001140583842 936727652 /nfs/dbraw/zinc/72/76/52/936727652.db2.gz VSCVBSOBNAHOEF-TVQRCGJNSA-N 1 2 268.307 1.806 20 10 CDCDLO C[N@H+]1CC[C@H]2CN(Cc3c(O)cc(F)cc3F)C[C@H]21 ZINC001140583842 936727654 /nfs/dbraw/zinc/72/76/54/936727654.db2.gz VSCVBSOBNAHOEF-TVQRCGJNSA-N 1 2 268.307 1.806 20 10 CDCDLO C[N@H+](CCC1OCCO1)Cc1c(O)cc(F)cc1F ZINC001140583260 936727858 /nfs/dbraw/zinc/72/78/58/936727858.db2.gz BSGLVDJWUBUWTC-UHFFFAOYSA-N 1 2 273.279 1.865 20 10 CDCDLO C[N@@H+](CCC1OCCO1)Cc1c(O)cc(F)cc1F ZINC001140583260 936727860 /nfs/dbraw/zinc/72/78/60/936727860.db2.gz BSGLVDJWUBUWTC-UHFFFAOYSA-N 1 2 273.279 1.865 20 10 CDCDLO Cn1cnc2c1CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141160980 936822900 /nfs/dbraw/zinc/82/29/00/936822900.db2.gz LNFXUAPWSZJQBH-UHFFFAOYSA-N 1 2 259.309 1.390 20 10 CDCDLO Cn1cnc2c1CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141160980 936822902 /nfs/dbraw/zinc/82/29/02/936822902.db2.gz LNFXUAPWSZJQBH-UHFFFAOYSA-N 1 2 259.309 1.390 20 10 CDCDLO Cn1c[nH+]c2c1CCN(Cc1cc(O)ccc1O)C2 ZINC001141160980 936822905 /nfs/dbraw/zinc/82/29/05/936822905.db2.gz LNFXUAPWSZJQBH-UHFFFAOYSA-N 1 2 259.309 1.390 20 10 CDCDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(N)cc1 ZINC000841300962 936991492 /nfs/dbraw/zinc/99/14/92/936991492.db2.gz XXPDWKSCQMINDU-UHFFFAOYSA-N 1 2 292.383 1.501 20 10 CDCDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(N)cc1 ZINC000841300962 936991494 /nfs/dbraw/zinc/99/14/94/936991494.db2.gz XXPDWKSCQMINDU-UHFFFAOYSA-N 1 2 292.383 1.501 20 10 CDCDLO Nc1ccc(CCNC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000841506242 937005734 /nfs/dbraw/zinc/00/57/34/937005734.db2.gz AHTQTMTYDASVNY-UHFFFAOYSA-N 1 2 287.367 1.397 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cc(F)c(F)cc3O)[C@H]2C1 ZINC001142512913 937026059 /nfs/dbraw/zinc/02/60/59/937026059.db2.gz PMCUJYAMHAZJHK-DYQSUWPFSA-N 1 2 299.317 1.642 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cc(F)c(F)cc3O)[C@H]2C1 ZINC001142512913 937026061 /nfs/dbraw/zinc/02/60/61/937026061.db2.gz PMCUJYAMHAZJHK-DYQSUWPFSA-N 1 2 299.317 1.642 20 10 CDCDLO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(F)cc(F)c1O ZINC000858549214 928883964 /nfs/dbraw/zinc/88/39/64/928883964.db2.gz VAIKMSNLSSCLLK-MWLCHTKSSA-N 1 2 286.322 1.388 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000862755751 929465902 /nfs/dbraw/zinc/46/59/02/929465902.db2.gz XJCGQNCIRBONCK-LBPRGKRZSA-N 1 2 285.347 1.776 20 10 CDCDLO C[C@H]([NH2+]Cc1cnn(C)n1)c1c(O)cccc1F ZINC000886609269 930921033 /nfs/dbraw/zinc/92/10/33/930921033.db2.gz PVZDDSATAYFGCG-QMMMGPOBSA-N 1 2 250.277 1.511 20 10 CDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000844401325 931595315 /nfs/dbraw/zinc/59/53/15/931595315.db2.gz LTUYIMDIKKIMAL-UHFFFAOYSA-N 1 2 289.383 1.392 20 10 CDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000844401325 931595317 /nfs/dbraw/zinc/59/53/17/931595317.db2.gz LTUYIMDIKKIMAL-UHFFFAOYSA-N 1 2 289.383 1.392 20 10 CDCDLO C[C@H](CC(=O)NCc1ccc(N)cc1)n1cc[nH+]c1 ZINC000846297903 932009019 /nfs/dbraw/zinc/00/90/19/932009019.db2.gz LVJRVOVNLWOMRC-LLVKDONJSA-N 1 2 258.325 1.733 20 10 CDCDLO CN(C)C(=O)[C@@H]1CCC2(C[NH+](Cc3ccccc3O)C2)O1 ZINC001277442491 942578825 /nfs/dbraw/zinc/57/88/25/942578825.db2.gz WLDDUXBPRXLTNF-AWEZNQCLSA-N 1 2 290.363 1.214 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(Cl)c1 ZINC001236800001 944574607 /nfs/dbraw/zinc/57/46/07/944574607.db2.gz SGQDTLFGKOJUJZ-GFCCVEGCSA-N 1 2 298.770 1.894 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2C(N)=O)c(Cl)c1 ZINC001236800001 944574612 /nfs/dbraw/zinc/57/46/12/944574612.db2.gz SGQDTLFGKOJUJZ-GFCCVEGCSA-N 1 2 298.770 1.894 20 10 CDCDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C)c(O)c(OC)c1 ZINC001237674649 944918122 /nfs/dbraw/zinc/91/81/22/944918122.db2.gz KPGCZUPBWJLVPC-JTQLQIEISA-N 1 2 267.325 1.630 20 10 CDCDLO COc1cc(C[N@H+]2CCOC[C@@H]2C)c(O)c(OC)c1 ZINC001237674649 944918129 /nfs/dbraw/zinc/91/81/29/944918129.db2.gz KPGCZUPBWJLVPC-JTQLQIEISA-N 1 2 267.325 1.630 20 10 CDCDLO C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)C[C@@H]1O ZINC001237807325 944957983 /nfs/dbraw/zinc/95/79/83/944957983.db2.gz HVGXYIWTMUWOSR-CPCISQLKSA-N 1 2 259.708 1.997 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)cc(C)c2O)CCO1 ZINC001238058233 945044810 /nfs/dbraw/zinc/04/48/10/945044810.db2.gz PLXJWODZVFHQKS-LBPRGKRZSA-N 1 2 283.299 1.214 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)cc(C)c2O)CCO1 ZINC001238058233 945044819 /nfs/dbraw/zinc/04/48/19/945044819.db2.gz PLXJWODZVFHQKS-LBPRGKRZSA-N 1 2 283.299 1.214 20 10 CDCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccccc1O ZINC000847569624 967687570 /nfs/dbraw/zinc/68/75/70/967687570.db2.gz GGDMOJBLYIMRRE-LLVKDONJSA-N 1 2 273.336 1.953 20 10 CDCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccccc1O ZINC000847569624 967687572 /nfs/dbraw/zinc/68/75/72/967687572.db2.gz GGDMOJBLYIMRRE-LLVKDONJSA-N 1 2 273.336 1.953 20 10 CDCDLO COc1ccc(O)c(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000847590898 967726019 /nfs/dbraw/zinc/72/60/19/967726019.db2.gz KDCCANXXIZICEX-SNVBAGLBSA-N 1 2 289.335 1.619 20 10 CDCDLO COc1ccc(O)c(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000847590898 967726022 /nfs/dbraw/zinc/72/60/22/967726022.db2.gz KDCCANXXIZICEX-SNVBAGLBSA-N 1 2 289.335 1.619 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)[NH+](C)C ZINC000935945108 969821528 /nfs/dbraw/zinc/82/15/28/969821528.db2.gz KWSOOBGHMWWBPN-SNVBAGLBSA-N 1 2 271.357 1.444 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cc(OC)ccc1O ZINC000180037076 357238219 /nfs/dbraw/zinc/23/82/19/357238219.db2.gz HRNDCIJEURIXBR-LBPRGKRZSA-N 1 2 264.325 1.111 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000180037076 357238227 /nfs/dbraw/zinc/23/82/27/357238227.db2.gz HRNDCIJEURIXBR-LBPRGKRZSA-N 1 2 264.325 1.111 20 10 CDCDLO CC(C)C[N@H+](CC(N)=O)Cc1cccc(Cl)c1O ZINC000124539861 360376617 /nfs/dbraw/zinc/37/66/17/360376617.db2.gz JTBZPVASGDSNLM-UHFFFAOYSA-N 1 2 270.760 1.989 20 10 CDCDLO CN(C)c1ccc(C[N@H+](C)Cc2cnn(C)n2)cc1 ZINC000289289729 369539396 /nfs/dbraw/zinc/53/93/96/369539396.db2.gz AFRWEYGWHRTAAR-UHFFFAOYSA-N 1 2 259.357 1.513 20 10 CDCDLO CN(C)c1ccc(C[N@@H+](C)Cc2cnn(C)n2)cc1 ZINC000289289729 369539399 /nfs/dbraw/zinc/53/93/99/369539399.db2.gz AFRWEYGWHRTAAR-UHFFFAOYSA-N 1 2 259.357 1.513 20 10 CDCDLO COc1ccc(O)c([C@@H](C)[NH2+]CC(F)(F)CO)c1 ZINC000184694492 262025694 /nfs/dbraw/zinc/02/56/94/262025694.db2.gz WNWRAURQZQJMJT-MRVPVSSYSA-N 1 2 261.268 1.679 20 10 CDCDLO C[C@@H](O)CCC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589998325 1173227299 /nfs/dbraw/zinc/22/72/99/1173227299.db2.gz RKGQXFXBNMKENH-NXEZZACHSA-N 1 2 291.355 1.384 20 10 CDCDLO Cc1c2ccccc2n(C)c1CNC(=O)Cn1cc[nH+]c1 ZINC000360458608 328907009 /nfs/dbraw/zinc/90/70/09/328907009.db2.gz ZKHAJKFUUKKMBY-UHFFFAOYSA-N 1 2 282.347 2.000 20 10 CDCDLO COC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072952762 482452582 /nfs/dbraw/zinc/45/25/82/482452582.db2.gz ZNDJHEPVZMZRKK-CYBMUJFWSA-N 1 2 279.336 1.546 20 10 CDCDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000366013630 527469371 /nfs/dbraw/zinc/46/93/71/527469371.db2.gz OULHDFORUZESLJ-JTQLQIEISA-N 1 2 287.319 1.461 20 10 CDCDLO COc1ccc(O)c([C@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC000728982240 574680985 /nfs/dbraw/zinc/68/09/85/574680985.db2.gz LBZWEQVLPYIOMO-NSHDSACASA-N 1 2 289.335 1.865 20 10 CDCDLO CCN(C)c1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000773746577 575837392 /nfs/dbraw/zinc/83/73/92/575837392.db2.gz ABUPKCWEARIABU-UHFFFAOYSA-N 1 2 284.425 1.619 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000773746577 575837394 /nfs/dbraw/zinc/83/73/94/575837394.db2.gz ABUPKCWEARIABU-UHFFFAOYSA-N 1 2 284.425 1.619 20 10 CDCDLO COC(=O)C[C@@]1([NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000768534038 576294405 /nfs/dbraw/zinc/29/44/05/576294405.db2.gz LKYYYUQTDFSEMW-AWEZNQCLSA-N 1 2 299.754 1.857 20 10 CDCDLO O=C1C[N@H+](Cc2cc(Br)ccc2O)CCCN1 ZINC000769109737 576329802 /nfs/dbraw/zinc/32/98/02/576329802.db2.gz UFXCOYCWVFWJDI-UHFFFAOYSA-N 1 2 299.168 1.477 20 10 CDCDLO O=C1C[N@@H+](Cc2cc(Br)ccc2O)CCCN1 ZINC000769109737 576329804 /nfs/dbraw/zinc/32/98/04/576329804.db2.gz UFXCOYCWVFWJDI-UHFFFAOYSA-N 1 2 299.168 1.477 20 10 CDCDLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000799737830 620745497 /nfs/dbraw/zinc/74/54/97/620745497.db2.gz NDBPVHMOPQDUDG-WRWORJQWSA-N 1 2 286.734 1.799 20 10 CDCDLO OC[C@H]1CSCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000895470590 619682642 /nfs/dbraw/zinc/68/26/42/619682642.db2.gz LXMSWIRSDFKLNS-JTQLQIEISA-N 1 2 275.320 1.580 20 10 CDCDLO OC[C@H]1CSCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000895470590 619682647 /nfs/dbraw/zinc/68/26/47/619682647.db2.gz LXMSWIRSDFKLNS-JTQLQIEISA-N 1 2 275.320 1.580 20 10 CDCDLO Cn1nccc1[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000897562906 620997576 /nfs/dbraw/zinc/99/75/76/620997576.db2.gz HWMQYAPMJUMZRZ-HNNXBMFYSA-N 1 2 291.326 1.838 20 10 CDCDLO COc1c(O)c(C[NH2+]Cc2nonc2C)ccc1[N+](=O)[O-] ZINC000809743877 1163082502 /nfs/dbraw/zinc/08/25/02/1163082502.db2.gz LCASSSMJGVCIKC-UHFFFAOYSA-N 1 2 294.267 1.290 20 10 CDCDLO CC(C)[C@@H](O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589959850 1173211599 /nfs/dbraw/zinc/21/15/99/1173211599.db2.gz VZLVIDWYGJQTOW-SKDRFNHKSA-N 1 2 291.355 1.240 20 10 CDCDLO COc1ccc(O)c(CN2CCC(F)(F)[C@H]([NH3+])C2)c1 ZINC001206655777 1167179290 /nfs/dbraw/zinc/17/92/90/1167179290.db2.gz IRYURKUHROTIFW-GFCCVEGCSA-N 1 2 272.295 1.569 20 10 CDCDLO Cc1cc(C)c(CNC(=O)Cc2cc[nH+]c(N)c2)c(O)c1 ZINC001181279917 916963086 /nfs/dbraw/zinc/96/30/86/916963086.db2.gz OWJWULXMAJXGJI-UHFFFAOYSA-N 1 2 285.347 1.845 20 10 CDCDLO CN1CC[N@H+](Cc2c(O)cccc2F)CCC1=O ZINC001137837739 936418953 /nfs/dbraw/zinc/41/89/53/936418953.db2.gz SLGRSUQECOSJIL-UHFFFAOYSA-N 1 2 252.289 1.195 20 10 CDCDLO CN1CC[N@@H+](Cc2c(O)cccc2F)CCC1=O ZINC001137837739 936418957 /nfs/dbraw/zinc/41/89/57/936418957.db2.gz SLGRSUQECOSJIL-UHFFFAOYSA-N 1 2 252.289 1.195 20 10 CDCDLO CC(=O)N(C)C1C[NH+](Cc2cccc(F)c2O)C1 ZINC001138127910 936474527 /nfs/dbraw/zinc/47/45/27/936474527.db2.gz VEWCTYOWGSMWBN-UHFFFAOYSA-N 1 2 252.289 1.194 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NC)c(OC)c1 ZINC001138386061 936528698 /nfs/dbraw/zinc/52/86/98/936528698.db2.gz GHNVCZMVXPSYDW-UHFFFAOYSA-N 1 2 293.411 1.719 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)NC)c(OC)c1 ZINC001138386061 936528700 /nfs/dbraw/zinc/52/87/00/936528700.db2.gz GHNVCZMVXPSYDW-UHFFFAOYSA-N 1 2 293.411 1.719 20 10 CDCDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@@H]21 ZINC001140583800 936727685 /nfs/dbraw/zinc/72/76/85/936727685.db2.gz SSAVZPHFJJDPJM-WOFXILAISA-N 1 2 283.274 1.521 20 10 CDCDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@@H]21 ZINC001140583800 936727686 /nfs/dbraw/zinc/72/76/86/936727686.db2.gz SSAVZPHFJJDPJM-WOFXILAISA-N 1 2 283.274 1.521 20 10 CDCDLO COc1ncnc2c1CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001137837705 922982589 /nfs/dbraw/zinc/98/25/89/922982589.db2.gz RGHZGOOHXDTOTM-UHFFFAOYSA-N 1 2 289.310 1.888 20 10 CDCDLO COc1ncnc2c1CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137837705 922982607 /nfs/dbraw/zinc/98/26/07/922982607.db2.gz RGHZGOOHXDTOTM-UHFFFAOYSA-N 1 2 289.310 1.888 20 10 CDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1O ZINC001203627743 939697990 /nfs/dbraw/zinc/69/79/90/939697990.db2.gz MSZDNPNIJXMUBO-VIFPVBQESA-N 1 2 253.298 1.394 20 10 CDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1O ZINC001203627743 939697991 /nfs/dbraw/zinc/69/79/91/939697991.db2.gz MSZDNPNIJXMUBO-VIFPVBQESA-N 1 2 253.298 1.394 20 10 CDCDLO CC(=O)N(C)C1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC001203657072 939699601 /nfs/dbraw/zinc/69/96/01/939699601.db2.gz DLMWCQYFFYPYIM-UHFFFAOYSA-N 1 2 268.744 1.708 20 10 CDCDLO [NH3+][C@@H]1CN(Cc2c(O)ccc(F)c2F)CCC1(F)F ZINC001206684950 940078206 /nfs/dbraw/zinc/07/82/06/940078206.db2.gz VTMVOOOUKXQVGR-SNVBAGLBSA-N 1 2 278.249 1.839 20 10 CDCDLO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c(O)cc1O ZINC001231634501 942949963 /nfs/dbraw/zinc/94/99/63/942949963.db2.gz OBSIEKVMBAQNPE-NXEZZACHSA-N 1 2 271.288 1.011 20 10 CDCDLO COc1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c(O)cc1O ZINC001231634501 942949966 /nfs/dbraw/zinc/94/99/66/942949966.db2.gz OBSIEKVMBAQNPE-NXEZZACHSA-N 1 2 271.288 1.011 20 10 CDCDLO Oc1cc(C[NH+]2CC3(C2)CCCOC3)cc(O)c1O ZINC001233014633 943463391 /nfs/dbraw/zinc/46/33/91/943463391.db2.gz WUOXKVCHXWHDNC-UHFFFAOYSA-N 1 2 265.309 1.416 20 10 CDCDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483085 943592272 /nfs/dbraw/zinc/59/22/72/943592272.db2.gz NESIFHHLVWOULV-CQSZACIVSA-N 1 2 281.308 1.331 20 10 CDCDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233483085 943592276 /nfs/dbraw/zinc/59/22/76/943592276.db2.gz NESIFHHLVWOULV-CQSZACIVSA-N 1 2 281.308 1.331 20 10 CDCDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H]1CCOC1 ZINC001308354934 956521957 /nfs/dbraw/zinc/52/19/57/956521957.db2.gz UFWVTFMRFMNMKX-UFBFGSQYSA-N 1 2 289.734 1.672 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCc3ncncc3C1)[C@H](O)CO2 ZINC001331066681 956799241 /nfs/dbraw/zinc/79/92/41/956799241.db2.gz NGHIRXZKQXPKFS-OAHLLOKOSA-N 1 2 299.330 1.166 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCc3ncncc3C1)[C@H](O)CO2 ZINC001331066681 956799255 /nfs/dbraw/zinc/79/92/55/956799255.db2.gz NGHIRXZKQXPKFS-OAHLLOKOSA-N 1 2 299.330 1.166 20 10 CDCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000274385353 365645405 /nfs/dbraw/zinc/64/54/05/365645405.db2.gz BXLNOQJBUMYGCG-CQSZACIVSA-N 1 2 267.300 1.523 20 10 CDCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000274385353 365645409 /nfs/dbraw/zinc/64/54/09/365645409.db2.gz BXLNOQJBUMYGCG-CQSZACIVSA-N 1 2 267.300 1.523 20 10 CDCDLO OCC1([NH2+]Cc2cccc(Cl)c2O)CCOCC1 ZINC000224813883 359530103 /nfs/dbraw/zinc/53/01/03/359530103.db2.gz WEVFAEWBSSRHQC-UHFFFAOYSA-N 1 2 271.744 1.677 20 10 CDCDLO CC[N@H+](CC(=O)OC)Cc1cc(OC)c(OC)cc1O ZINC000271108842 364926590 /nfs/dbraw/zinc/92/65/90/364926590.db2.gz SWFRVPIUTIYDSJ-UHFFFAOYSA-N 1 2 283.324 1.404 20 10 CDCDLO CC[N@@H+](CC(=O)OC)Cc1cc(OC)c(OC)cc1O ZINC000271108842 364926594 /nfs/dbraw/zinc/92/65/94/364926594.db2.gz SWFRVPIUTIYDSJ-UHFFFAOYSA-N 1 2 283.324 1.404 20 10 CDCDLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273433949 365494658 /nfs/dbraw/zinc/49/46/58/365494658.db2.gz WMVBLMSQFMATJV-DTWKUNHWSA-N 1 2 281.312 1.476 20 10 CDCDLO COC[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)OC ZINC000273423956 365495126 /nfs/dbraw/zinc/49/51/26/365495126.db2.gz JWWCMUKNBGIESB-MWLCHTKSSA-N 1 2 284.312 1.612 20 10 CDCDLO C[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(F)c(F)c1O ZINC000296510573 378735361 /nfs/dbraw/zinc/73/53/61/378735361.db2.gz PMFGIVJRCMBEMA-XVKPBYJWSA-N 1 2 270.279 1.600 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOc2ccccc21 ZINC000493446385 253462585 /nfs/dbraw/zinc/46/25/85/253462585.db2.gz BACOXHRWORZRHY-WAYWQWQTSA-N 1 2 255.277 1.849 20 10 CDCDLO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000158135472 392422585 /nfs/dbraw/zinc/42/25/85/392422585.db2.gz FONGDJPMYXISOB-CHWSQXEVSA-N 1 2 296.798 1.998 20 10 CDCDLO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000158135472 392422589 /nfs/dbraw/zinc/42/25/89/392422589.db2.gz FONGDJPMYXISOB-CHWSQXEVSA-N 1 2 296.798 1.998 20 10 CDCDLO CC(C)N1CC[N@H+](Cc2ccc(N(C)C)cc2)CC1=O ZINC000272549544 263006426 /nfs/dbraw/zinc/00/64/26/263006426.db2.gz QXNRVOUIABLYCU-UHFFFAOYSA-N 1 2 275.396 1.805 20 10 CDCDLO CC(C)N1CC[N@@H+](Cc2ccc(N(C)C)cc2)CC1=O ZINC000272549544 263006427 /nfs/dbraw/zinc/00/64/27/263006427.db2.gz QXNRVOUIABLYCU-UHFFFAOYSA-N 1 2 275.396 1.805 20 10 CDCDLO Cc1ccc(O)c(C[N@@H+]2CCn3cnnc3[C@@H]2C)c1 ZINC000276827093 263038251 /nfs/dbraw/zinc/03/82/51/263038251.db2.gz QLRMMRCILGAXSH-NSHDSACASA-N 1 2 258.325 1.869 20 10 CDCDLO Cc1ccc(O)c(C[N@H+]2CCn3cnnc3[C@@H]2C)c1 ZINC000276827093 263038252 /nfs/dbraw/zinc/03/82/52/263038252.db2.gz QLRMMRCILGAXSH-NSHDSACASA-N 1 2 258.325 1.869 20 10 CDCDLO COC[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1O)OC ZINC000276916052 263038584 /nfs/dbraw/zinc/03/85/84/263038584.db2.gz LQYIRUMNELVJOQ-DTWKUNHWSA-N 1 2 275.295 1.982 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(OC)ccc1O ZINC000280181434 523525152 /nfs/dbraw/zinc/52/51/52/523525152.db2.gz AEQOIZBYOILCGN-SECBINFHSA-N 1 2 253.298 1.394 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000280181434 523525162 /nfs/dbraw/zinc/52/51/62/523525162.db2.gz AEQOIZBYOILCGN-SECBINFHSA-N 1 2 253.298 1.394 20 10 CDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000280439056 523876106 /nfs/dbraw/zinc/87/61/06/523876106.db2.gz CLQKCRPDBFCBCT-VIFPVBQESA-N 1 2 283.324 1.403 20 10 CDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000280439056 523876110 /nfs/dbraw/zinc/87/61/10/523876110.db2.gz CLQKCRPDBFCBCT-VIFPVBQESA-N 1 2 283.324 1.403 20 10 CDCDLO COc1cccc(O)c1C[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000769523867 575356378 /nfs/dbraw/zinc/35/63/78/575356378.db2.gz IFGPTRPUQGAGNF-UHFFFAOYSA-N 1 2 299.392 1.410 20 10 CDCDLO COc1cccc(O)c1C[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000769523867 575356381 /nfs/dbraw/zinc/35/63/81/575356381.db2.gz IFGPTRPUQGAGNF-UHFFFAOYSA-N 1 2 299.392 1.410 20 10 CDCDLO CCOC(=O)C[N@H+](CC)Cc1cc2c(cc1O)OCO2 ZINC000769006920 576322034 /nfs/dbraw/zinc/32/20/34/576322034.db2.gz TXDWDDGISJOCTJ-UHFFFAOYSA-N 1 2 281.308 1.506 20 10 CDCDLO CCOC(=O)C[N@@H+](CC)Cc1cc2c(cc1O)OCO2 ZINC000769006920 576322036 /nfs/dbraw/zinc/32/20/36/576322036.db2.gz TXDWDDGISJOCTJ-UHFFFAOYSA-N 1 2 281.308 1.506 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000769468121 576356692 /nfs/dbraw/zinc/35/66/92/576356692.db2.gz WMJGGLWDOCKXON-ZDUSSCGKSA-N 1 2 295.335 1.165 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)CCO1 ZINC000769468121 576356693 /nfs/dbraw/zinc/35/66/93/576356693.db2.gz WMJGGLWDOCKXON-ZDUSSCGKSA-N 1 2 295.335 1.165 20 10 CDCDLO COc1cccc(CNC(=O)NCc2[nH+]ccn2C)c1O ZINC000745802073 576743021 /nfs/dbraw/zinc/74/30/21/576743021.db2.gz OKPNFKJFWLLZIJ-UHFFFAOYSA-N 1 2 290.323 1.134 20 10 CDCDLO C[C@H]([NH2+]CCS(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000756501321 576992025 /nfs/dbraw/zinc/99/20/25/576992025.db2.gz AGSHFRGCMJMIHF-ZETCQYMHSA-N 1 2 279.308 1.366 20 10 CDCDLO C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)N(C)C ZINC000756739444 577002641 /nfs/dbraw/zinc/00/26/41/577002641.db2.gz MZMMILWXDGWOOZ-RKDXNWHRSA-N 1 2 281.312 1.428 20 10 CDCDLO CC[N@H+](CC(=O)NC)Cc1cc(F)cc(C(C)=O)c1O ZINC000050143199 678365356 /nfs/dbraw/zinc/36/53/56/678365356.db2.gz NJQLCCIMLSCTNT-UHFFFAOYSA-N 1 2 282.315 1.302 20 10 CDCDLO CC[N@@H+](CC(=O)NC)Cc1cc(F)cc(C(C)=O)c1O ZINC000050143199 678365360 /nfs/dbraw/zinc/36/53/60/678365360.db2.gz NJQLCCIMLSCTNT-UHFFFAOYSA-N 1 2 282.315 1.302 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)C1([NH+](C)C)CCC1 ZINC000935945791 617597413 /nfs/dbraw/zinc/59/74/13/617597413.db2.gz LBTNCEOOTAFJHU-UHFFFAOYSA-N 1 2 297.395 1.978 20 10 CDCDLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000799737799 620745597 /nfs/dbraw/zinc/74/55/97/620745597.db2.gz NDBPVHMOPQDUDG-HQJQHLMTSA-N 1 2 286.734 1.799 20 10 CDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000829239954 677886649 /nfs/dbraw/zinc/88/66/49/677886649.db2.gz WRMIOHFDCHLFDE-UHFFFAOYSA-N 1 2 286.335 1.444 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1cccc(CC)c1O ZINC000848881552 678163791 /nfs/dbraw/zinc/16/37/91/678163791.db2.gz QVUMEEWOIXZNBQ-UHFFFAOYSA-N 1 2 251.326 1.950 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1cccc(CC)c1O ZINC000848881552 678163792 /nfs/dbraw/zinc/16/37/92/678163792.db2.gz QVUMEEWOIXZNBQ-UHFFFAOYSA-N 1 2 251.326 1.950 20 10 CDCDLO [NH3+]CC(F)(F)CNCc1c(O)ccc(Cl)c1F ZINC000841059949 678191085 /nfs/dbraw/zinc/19/10/85/678191085.db2.gz NRHPAACXALHTGI-UHFFFAOYSA-N 1 2 268.666 1.868 20 10 CDCDLO Cc1cccc(O)c1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000877618352 677833306 /nfs/dbraw/zinc/83/33/06/677833306.db2.gz QIJCSKUCQOBQEG-UHFFFAOYSA-N 1 2 275.356 1.732 20 10 CDCDLO Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)c(O)c1O ZINC000791814820 678047961 /nfs/dbraw/zinc/04/79/61/678047961.db2.gz LHWRIXZLDIOFQJ-UHFFFAOYSA-N 1 2 274.276 1.740 20 10 CDCDLO CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(F)cc1O ZINC000796936123 678182209 /nfs/dbraw/zinc/18/22/09/678182209.db2.gz DSRVMCVTWIXOSM-HIFRSBDPSA-N 1 2 282.359 1.639 20 10 CDCDLO COc1ccc(O)c([C@@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC000806794082 678407831 /nfs/dbraw/zinc/40/78/31/678407831.db2.gz WZDGWKWQYNPAGX-SNVBAGLBSA-N 1 2 289.335 1.554 20 10 CDCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCOC1=O ZINC000127215105 678490160 /nfs/dbraw/zinc/49/01/60/678490160.db2.gz QURKTENFWNTHAW-HNNXBMFYSA-N 1 2 290.363 1.271 20 10 CDCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCOC1=O ZINC000127215105 678490165 /nfs/dbraw/zinc/49/01/65/678490165.db2.gz QURKTENFWNTHAW-HNNXBMFYSA-N 1 2 290.363 1.271 20 10 CDCDLO C[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)c2c1c(F)ccc2O ZINC000787031557 678537797 /nfs/dbraw/zinc/53/77/97/678537797.db2.gz OBDUHYWZTJIEHI-APPZFPTMSA-N 1 2 277.303 1.393 20 10 CDCDLO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2O)C1 ZINC000857084345 678628299 /nfs/dbraw/zinc/62/82/99/678628299.db2.gz NPCJDVDMVFPWJR-GZMMTYOYSA-N 1 2 284.306 1.942 20 10 CDCDLO O=C1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCN12 ZINC000124579208 679158164 /nfs/dbraw/zinc/15/81/64/679158164.db2.gz KSPWBJZBNFRFBJ-LLVKDONJSA-N 1 2 280.755 1.852 20 10 CDCDLO O=C1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCN12 ZINC000124579208 679158167 /nfs/dbraw/zinc/15/81/67/679158167.db2.gz KSPWBJZBNFRFBJ-LLVKDONJSA-N 1 2 280.755 1.852 20 10 CDCDLO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000793388677 679499468 /nfs/dbraw/zinc/49/94/68/679499468.db2.gz DYJVIIKLYZNUMH-CYBMUJFWSA-N 1 2 286.734 1.882 20 10 CDCDLO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000793388677 679499473 /nfs/dbraw/zinc/49/94/73/679499473.db2.gz DYJVIIKLYZNUMH-CYBMUJFWSA-N 1 2 286.734 1.882 20 10 CDCDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(O)c1O ZINC000790943832 1162177396 /nfs/dbraw/zinc/17/73/96/1162177396.db2.gz SJVYFVWVRZUBOJ-SECBINFHSA-N 1 2 273.292 1.039 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCc2nncn2CC1 ZINC001237617177 1167395950 /nfs/dbraw/zinc/39/59/50/1167395950.db2.gz MAAJXBCKYFACNQ-UHFFFAOYSA-N 1 2 296.733 1.835 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCc2nncn2CC1 ZINC001237617177 1167395954 /nfs/dbraw/zinc/39/59/54/1167395954.db2.gz MAAJXBCKYFACNQ-UHFFFAOYSA-N 1 2 296.733 1.835 20 10 CDCDLO C[C@H]([NH2+][C@H]1CC12CC2)c1cccc(-c2nn[nH]n2)c1O ZINC001589954688 1173210763 /nfs/dbraw/zinc/21/07/63/1173210763.db2.gz INJPDAVAGZHMTG-KWQFWETISA-N 1 2 271.324 1.775 20 10 CDCDLO CC[C@@H]([NH2+]C1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055999 1175737076 /nfs/dbraw/zinc/73/70/76/1175737076.db2.gz SKBUEUDJTJYOTD-LLVKDONJSA-N 1 2 259.313 1.775 20 10 CDCDLO O=C(C1CCC1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140059181 894778627 /nfs/dbraw/zinc/77/86/27/894778627.db2.gz XLIHQCHOSYCFCO-UHFFFAOYSA-N 1 2 292.354 1.976 20 10 CDCDLO O=C(CCn1cc[nH+]c1)N1CCc2cccc(O)c2C1 ZINC001176877582 914333391 /nfs/dbraw/zinc/33/33/91/914333391.db2.gz HJWAIAZOKKANEE-UHFFFAOYSA-N 1 2 271.320 1.564 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1Cl ZINC001232258924 912066128 /nfs/dbraw/zinc/06/61/28/912066128.db2.gz DOIZRLNZGBNJRY-CQSZACIVSA-N 1 2 299.754 1.743 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1Cl ZINC001232258924 912066144 /nfs/dbraw/zinc/06/61/44/912066144.db2.gz DOIZRLNZGBNJRY-CQSZACIVSA-N 1 2 299.754 1.743 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3cnc(N)nc3)CC2)cc1 ZINC001138160471 936482564 /nfs/dbraw/zinc/48/25/64/936482564.db2.gz XSNABXAJJAVAEZ-UHFFFAOYSA-N 1 2 299.378 1.390 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@H](O)C[C@H]1C ZINC001139126573 936599651 /nfs/dbraw/zinc/59/96/51/936599651.db2.gz LGNQVFKUHFANEK-GHMZBOCLSA-N 1 2 289.331 1.762 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@H](O)C[C@H]1C ZINC001139126573 936599652 /nfs/dbraw/zinc/59/96/52/936599652.db2.gz LGNQVFKUHFANEK-GHMZBOCLSA-N 1 2 289.331 1.762 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCNC(=O)CC2)c(Cl)c1 ZINC001140921350 936776155 /nfs/dbraw/zinc/77/61/55/936776155.db2.gz BPGNVUJAZMQSCW-UHFFFAOYSA-N 1 2 281.787 1.728 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCNC(=O)CC2)c(Cl)c1 ZINC001140921350 936776157 /nfs/dbraw/zinc/77/61/57/936776157.db2.gz BPGNVUJAZMQSCW-UHFFFAOYSA-N 1 2 281.787 1.728 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC001142508542 937025264 /nfs/dbraw/zinc/02/52/64/937025264.db2.gz CLEDEZUZMARLGE-CQSZACIVSA-N 1 2 285.290 1.662 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001142508542 937025267 /nfs/dbraw/zinc/02/52/67/937025267.db2.gz CLEDEZUZMARLGE-CQSZACIVSA-N 1 2 285.290 1.662 20 10 CDCDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(F)ccc(F)c1O ZINC001275362790 931751683 /nfs/dbraw/zinc/75/16/83/931751683.db2.gz PWWNWJQGNHDXDP-DTORHVGOSA-N 1 2 254.280 1.559 20 10 CDCDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(F)ccc(F)c1O ZINC001275362790 931751690 /nfs/dbraw/zinc/75/16/90/931751690.db2.gz PWWNWJQGNHDXDP-DTORHVGOSA-N 1 2 254.280 1.559 20 10 CDCDLO COc1cc(C[N@H+](C)Cc2cnc(C)nc2)cc(O)c1O ZINC001204346514 939758882 /nfs/dbraw/zinc/75/88/82/939758882.db2.gz SUMSHCHKPYZWGW-UHFFFAOYSA-N 1 2 289.335 1.837 20 10 CDCDLO COc1cc(C[N@@H+](C)Cc2cnc(C)nc2)cc(O)c1O ZINC001204346514 939758884 /nfs/dbraw/zinc/75/88/84/939758884.db2.gz SUMSHCHKPYZWGW-UHFFFAOYSA-N 1 2 289.335 1.837 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+](C)CC(=O)N(C)C ZINC001231853870 943031947 /nfs/dbraw/zinc/03/19/47/943031947.db2.gz STDVMADNRLVIQU-UHFFFAOYSA-N 1 2 279.384 1.281 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+](C)CC(=O)N(C)C ZINC001231853870 943031953 /nfs/dbraw/zinc/03/19/53/943031953.db2.gz STDVMADNRLVIQU-UHFFFAOYSA-N 1 2 279.384 1.281 20 10 CDCDLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC001233074260 943483979 /nfs/dbraw/zinc/48/39/79/943483979.db2.gz MASAQAMECUYCTG-SCZZXKLOSA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(F)c(F)c1O ZINC001233074260 943483981 /nfs/dbraw/zinc/48/39/81/943483981.db2.gz MASAQAMECUYCTG-SCZZXKLOSA-N 1 2 257.280 1.873 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cc1O ZINC001233487903 943596330 /nfs/dbraw/zinc/59/63/30/943596330.db2.gz WDNORTSSAYRFQR-NXEZZACHSA-N 1 2 251.282 1.167 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cc1O ZINC001233487903 943596332 /nfs/dbraw/zinc/59/63/32/943596332.db2.gz WDNORTSSAYRFQR-NXEZZACHSA-N 1 2 251.282 1.167 20 10 CDCDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237670196 944918603 /nfs/dbraw/zinc/91/86/03/944918603.db2.gz QNJCMRNXNBMEMR-GFCCVEGCSA-N 1 2 295.335 1.547 20 10 CDCDLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237670196 944918611 /nfs/dbraw/zinc/91/86/11/944918611.db2.gz QNJCMRNXNBMEMR-GFCCVEGCSA-N 1 2 295.335 1.547 20 10 CDCDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nnnn1C ZINC001308544905 956542546 /nfs/dbraw/zinc/54/25/46/956542546.db2.gz XNKZVQVDATZBFP-JTQLQIEISA-N 1 2 273.340 1.386 20 10 CDCDLO COc1ccc(CNC(=O)[C@@H](C)n2cc[nH+]c2)c(O)c1 ZINC001321067028 959571864 /nfs/dbraw/zinc/57/18/64/959571864.db2.gz HTSDYMRRLMDGCU-SNVBAGLBSA-N 1 2 275.308 1.475 20 10 CDCDLO CC1(C)N[C@H](C[NH2+]Cc2cccc(Cl)c2O)CO1 ZINC001576493227 1171438411 /nfs/dbraw/zinc/43/84/11/1171438411.db2.gz MCWVRJXFLPYDKR-SNVBAGLBSA-N 1 2 270.760 1.860 20 10 CDCDLO COCC[N@H+](Cc1cccc(Cl)c1O)[C@H](C)C(N)=O ZINC000180072800 357241799 /nfs/dbraw/zinc/24/17/99/357241799.db2.gz TURKWZNKAYYKNP-SECBINFHSA-N 1 2 286.759 1.368 20 10 CDCDLO COCC[N@@H+](Cc1cccc(Cl)c1O)[C@H](C)C(N)=O ZINC000180072800 357241803 /nfs/dbraw/zinc/24/18/03/357241803.db2.gz TURKWZNKAYYKNP-SECBINFHSA-N 1 2 286.759 1.368 20 10 CDCDLO Cc1cc(Cl)cc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1O ZINC000179921180 357231084 /nfs/dbraw/zinc/23/10/84/357231084.db2.gz LUWUBYSXPXIOAE-VIFPVBQESA-N 1 2 268.744 1.674 20 10 CDCDLO Cc1cc(Cl)cc(C[N@H+]2CCNC(=O)[C@@H]2C)c1O ZINC000179921180 357231088 /nfs/dbraw/zinc/23/10/88/357231088.db2.gz LUWUBYSXPXIOAE-VIFPVBQESA-N 1 2 268.744 1.674 20 10 CDCDLO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187695353 357796266 /nfs/dbraw/zinc/79/62/66/357796266.db2.gz CYOFANTURYUFLS-MRVPVSSYSA-N 1 2 293.335 1.756 20 10 CDCDLO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(F)c(F)c1O ZINC000187728433 357800272 /nfs/dbraw/zinc/80/02/72/357800272.db2.gz JUUZJQWGKCPLSG-IUCAKERBSA-N 1 2 284.306 1.942 20 10 CDCDLO COc1cccc(C[N@@H+]2CCN(CC(C)C)C(=O)C2)c1O ZINC000190098042 358052524 /nfs/dbraw/zinc/05/25/24/358052524.db2.gz CXJYAMPAMZDSAH-UHFFFAOYSA-N 1 2 292.379 1.701 20 10 CDCDLO COc1cccc(C[N@H+]2CCN(CC(C)C)C(=O)C2)c1O ZINC000190098042 358052527 /nfs/dbraw/zinc/05/25/27/358052527.db2.gz CXJYAMPAMZDSAH-UHFFFAOYSA-N 1 2 292.379 1.701 20 10 CDCDLO CC(C)(C(=O)NCc1ccccc1O)[NH+]1CCOCC1 ZINC000283144380 368202566 /nfs/dbraw/zinc/20/25/66/368202566.db2.gz IYRCWUSUXPOFAU-UHFFFAOYSA-N 1 2 278.352 1.119 20 10 CDCDLO CC[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(F)cc1O ZINC000285948261 368676842 /nfs/dbraw/zinc/67/68/42/368676842.db2.gz DUMJPOLUEQGSGA-LLVKDONJSA-N 1 2 264.304 1.901 20 10 CDCDLO CNC(=O)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000291925303 370313562 /nfs/dbraw/zinc/31/35/62/370313562.db2.gz ODXYRILQXOOSQW-SFYZADRCSA-N 1 2 267.285 1.086 20 10 CDCDLO CCC[N@H+](Cc1nnn(C)n1)Cc1ccccc1O ZINC000194433897 391358428 /nfs/dbraw/zinc/35/84/28/391358428.db2.gz UWXJXDVBQRYSMR-UHFFFAOYSA-N 1 2 261.329 1.328 20 10 CDCDLO CCC[N@@H+](Cc1nnn(C)n1)Cc1ccccc1O ZINC000194433897 391358433 /nfs/dbraw/zinc/35/84/33/391358433.db2.gz UWXJXDVBQRYSMR-UHFFFAOYSA-N 1 2 261.329 1.328 20 10 CDCDLO O=C1OC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCN12 ZINC000361053744 261154017 /nfs/dbraw/zinc/15/40/17/261154017.db2.gz SMWLWRZDWGQCKK-NSHDSACASA-N 1 2 266.272 1.168 20 10 CDCDLO O=C1OC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCN12 ZINC000361053744 261154018 /nfs/dbraw/zinc/15/40/18/261154018.db2.gz SMWLWRZDWGQCKK-NSHDSACASA-N 1 2 266.272 1.168 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CCN(C(C)C)C(=O)C2)c1 ZINC000272554466 263006518 /nfs/dbraw/zinc/00/65/18/263006518.db2.gz RYIAHLJUUPYGMX-UHFFFAOYSA-N 1 2 278.352 1.453 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CCN(C(C)C)C(=O)C2)c1 ZINC000272554466 263006519 /nfs/dbraw/zinc/00/65/19/263006519.db2.gz RYIAHLJUUPYGMX-UHFFFAOYSA-N 1 2 278.352 1.453 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)CC(=O)NC2CC2)c1O ZINC000050149105 518285534 /nfs/dbraw/zinc/28/55/34/518285534.db2.gz PNNMYSGODAWNJA-UHFFFAOYSA-N 1 2 294.326 1.444 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)CC(=O)NC2CC2)c1O ZINC000050149105 518285542 /nfs/dbraw/zinc/28/55/42/518285542.db2.gz PNNMYSGODAWNJA-UHFFFAOYSA-N 1 2 294.326 1.444 20 10 CDCDLO CC1(C)OCC([NH2+]Cc2cc([N+](=O)[O-])ccc2O)CO1 ZINC000758011044 574914506 /nfs/dbraw/zinc/91/45/06/574914506.db2.gz XHXSHHKSDLCNMA-UHFFFAOYSA-N 1 2 282.296 1.542 20 10 CDCDLO C[C@H]([NH2+]C[C@@H]1COCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000756433765 576990358 /nfs/dbraw/zinc/99/03/58/576990358.db2.gz HIKSJZHZZBCVHZ-GXSJLCMTSA-N 1 2 282.296 1.366 20 10 CDCDLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895316914 619547638 /nfs/dbraw/zinc/54/76/38/619547638.db2.gz SJILSIMAFOMLFR-LLVKDONJSA-N 1 2 286.734 1.799 20 10 CDCDLO O=C(CCCn1cc[nH+]c1)NCc1ccc(O)cc1O ZINC000910951860 629115347 /nfs/dbraw/zinc/11/53/47/629115347.db2.gz WPVQIIXZENMXTN-UHFFFAOYSA-N 1 2 275.308 1.391 20 10 CDCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nnnn1C1CC1 ZINC000816555132 679734349 /nfs/dbraw/zinc/73/43/49/679734349.db2.gz VBYIRUHDDFKIRS-UHFFFAOYSA-N 1 2 297.721 1.796 20 10 CDCDLO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000817971492 679780627 /nfs/dbraw/zinc/78/06/27/679780627.db2.gz DOTVBHHCMJAQMB-RKDXNWHRSA-N 1 2 252.314 1.177 20 10 CDCDLO CCOCCOC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000838993829 679804230 /nfs/dbraw/zinc/80/42/30/679804230.db2.gz XNMFJMVDXWMSJQ-UHFFFAOYSA-N 1 2 269.316 1.769 20 10 CDCDLO NC(=O)CC1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000817410806 679816590 /nfs/dbraw/zinc/81/65/90/679816590.db2.gz HMBHXNMWKOUYIY-UHFFFAOYSA-N 1 2 268.744 1.791 20 10 CDCDLO OCCCCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779016869 679843906 /nfs/dbraw/zinc/84/39/06/679843906.db2.gz UWCJKELJSISUPP-UHFFFAOYSA-N 1 2 282.359 1.421 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000883093209 679867624 /nfs/dbraw/zinc/86/76/24/679867624.db2.gz NMDOOBXPJUSHLJ-LLVKDONJSA-N 1 2 279.290 1.972 20 10 CDCDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(N)cc1)[NH+]1CCOCC1 ZINC000841299902 679870321 /nfs/dbraw/zinc/87/03/21/679870321.db2.gz JREXHJYHLIPRAN-NWDGAFQWSA-N 1 2 292.383 1.500 20 10 CDCDLO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)c1ccc(N)cc1 ZINC000863558657 682099259 /nfs/dbraw/zinc/09/92/59/682099259.db2.gz RSBVLVRPCHXVPV-JTQLQIEISA-N 1 2 254.355 1.140 20 10 CDCDLO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)c1ccc(N)cc1 ZINC000863558657 682099269 /nfs/dbraw/zinc/09/92/69/682099269.db2.gz RSBVLVRPCHXVPV-JTQLQIEISA-N 1 2 254.355 1.140 20 10 CDCDLO Cc1cc(N(C)C)ccc1C[N@H+](C)CCS(C)(=O)=O ZINC000840909525 681554115 /nfs/dbraw/zinc/55/41/15/681554115.db2.gz DXQAASQGMWVLMK-UHFFFAOYSA-N 1 2 284.425 1.537 20 10 CDCDLO Cc1cc(N(C)C)ccc1C[N@@H+](C)CCS(C)(=O)=O ZINC000840909525 681554119 /nfs/dbraw/zinc/55/41/19/681554119.db2.gz DXQAASQGMWVLMK-UHFFFAOYSA-N 1 2 284.425 1.537 20 10 CDCDLO CNC(=O)[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000825479434 681996892 /nfs/dbraw/zinc/99/68/92/681996892.db2.gz NYTPTNIMLKYILT-CYBMUJFWSA-N 1 2 298.770 1.301 20 10 CDCDLO CNC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000825479434 681996900 /nfs/dbraw/zinc/99/69/00/681996900.db2.gz NYTPTNIMLKYILT-CYBMUJFWSA-N 1 2 298.770 1.301 20 10 CDCDLO CCC[NH2+]CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817963302 682356815 /nfs/dbraw/zinc/35/68/15/682356815.db2.gz TWQYNHVPMLSLMF-SNVBAGLBSA-N 1 2 267.329 1.951 20 10 CDCDLO COc1cccc(O)c1C[NH2+][C@@H](C)c1nc(C)no1 ZINC000792176562 682832583 /nfs/dbraw/zinc/83/25/83/682832583.db2.gz HREIDNLCSFBOJB-QMMMGPOBSA-N 1 2 263.297 1.943 20 10 CDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nnc(C)[nH]2)cc1 ZINC000844400783 683120616 /nfs/dbraw/zinc/12/06/16/683120616.db2.gz FAXSDUPRLYKYCJ-UHFFFAOYSA-N 1 2 289.383 1.690 20 10 CDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nnc(C)[nH]2)cc1 ZINC000844400783 683120625 /nfs/dbraw/zinc/12/06/25/683120625.db2.gz FAXSDUPRLYKYCJ-UHFFFAOYSA-N 1 2 289.383 1.690 20 10 CDCDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000708422248 683568446 /nfs/dbraw/zinc/56/84/46/683568446.db2.gz LACSQRXJUBJOQT-NTCNTBNZSA-N 1 2 277.336 1.869 20 10 CDCDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000708422248 683568456 /nfs/dbraw/zinc/56/84/56/683568456.db2.gz LACSQRXJUBJOQT-NTCNTBNZSA-N 1 2 277.336 1.869 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H](CO)O1 ZINC000787418492 684262083 /nfs/dbraw/zinc/26/20/83/684262083.db2.gz WQRMNMXXDLRWFN-ZJUUUORDSA-N 1 2 271.744 1.627 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](CO)O1 ZINC000787418492 684262087 /nfs/dbraw/zinc/26/20/87/684262087.db2.gz WQRMNMXXDLRWFN-ZJUUUORDSA-N 1 2 271.744 1.627 20 10 CDCDLO CC(=O)N1CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142501877 1160686195 /nfs/dbraw/zinc/68/61/95/1160686195.db2.gz DRZYWWAGRPGRCB-UHFFFAOYSA-N 1 2 284.306 1.725 20 10 CDCDLO CC(=O)N1CCC[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142501877 1160686197 /nfs/dbraw/zinc/68/61/97/1160686197.db2.gz DRZYWWAGRPGRCB-UHFFFAOYSA-N 1 2 284.306 1.725 20 10 CDCDLO O=C1NCC[C@@]12CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237618363 1167396020 /nfs/dbraw/zinc/39/60/20/1167396020.db2.gz ZEPKOBWPMOOALR-AWEZNQCLSA-N 1 2 298.745 1.897 20 10 CDCDLO O=C1NCC[C@@]12CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237618363 1167396024 /nfs/dbraw/zinc/39/60/24/1167396024.db2.gz ZEPKOBWPMOOALR-AWEZNQCLSA-N 1 2 298.745 1.897 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(O)c(C)c2O)CCO1 ZINC001140748985 898171216 /nfs/dbraw/zinc/17/12/16/898171216.db2.gz MWARBRCVLKTIRB-GFCCVEGCSA-N 1 2 295.335 1.170 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)CCO1 ZINC001140748985 898171223 /nfs/dbraw/zinc/17/12/23/898171223.db2.gz MWARBRCVLKTIRB-GFCCVEGCSA-N 1 2 295.335 1.170 20 10 CDCDLO CO[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1F ZINC001141139997 899779408 /nfs/dbraw/zinc/77/94/08/899779408.db2.gz GYZSASQKFVOUBW-WFASDCNBSA-N 1 2 280.343 1.684 20 10 CDCDLO CO[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1F ZINC001141139997 899779416 /nfs/dbraw/zinc/77/94/16/899779416.db2.gz GYZSASQKFVOUBW-WFASDCNBSA-N 1 2 280.343 1.684 20 10 CDCDLO CN(C)c1ccc(NCCc2cc(O)c(O)cc2O)[nH+]c1 ZINC001168005214 905335397 /nfs/dbraw/zinc/33/53/97/905335397.db2.gz APKONNPMFJGAAR-UHFFFAOYSA-N 1 2 289.335 1.919 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCC2(C1)OCCO2 ZINC001142520478 908846075 /nfs/dbraw/zinc/84/60/75/908846075.db2.gz KIXNSXJBNQKKNZ-UHFFFAOYSA-N 1 2 271.263 1.619 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCC2(C1)OCCO2 ZINC001142520478 908846093 /nfs/dbraw/zinc/84/60/93/908846093.db2.gz KIXNSXJBNQKKNZ-UHFFFAOYSA-N 1 2 271.263 1.619 20 10 CDCDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138358423 936525642 /nfs/dbraw/zinc/52/56/42/936525642.db2.gz QYVPSXUZCUHARB-LBPRGKRZSA-N 1 2 273.380 1.389 20 10 CDCDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138358423 936525643 /nfs/dbraw/zinc/52/56/43/936525643.db2.gz QYVPSXUZCUHARB-LBPRGKRZSA-N 1 2 273.380 1.389 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](O)C1 ZINC001139124544 936599853 /nfs/dbraw/zinc/59/98/53/936599853.db2.gz BYXPTYJXZIFUIS-NSHDSACASA-N 1 2 289.331 1.764 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](O)C1 ZINC001139124544 936599854 /nfs/dbraw/zinc/59/98/54/936599854.db2.gz BYXPTYJXZIFUIS-NSHDSACASA-N 1 2 289.331 1.764 20 10 CDCDLO OC1C[NH+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074680 936809207 /nfs/dbraw/zinc/80/92/07/936809207.db2.gz QQBCWPFYCXPKAJ-UHFFFAOYSA-N 1 2 258.365 1.562 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC(=O)N1 ZINC001141074261 936809391 /nfs/dbraw/zinc/80/93/91/936809391.db2.gz DITMAJWBCBURAX-CYBMUJFWSA-N 1 2 299.418 1.706 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC(=O)N1 ZINC001141074261 936809394 /nfs/dbraw/zinc/80/93/94/936809394.db2.gz DITMAJWBCBURAX-CYBMUJFWSA-N 1 2 299.418 1.706 20 10 CDCDLO CCOC(=O)C[N@H+](CC)Cc1cc(O)ccc1O ZINC001141162602 936823585 /nfs/dbraw/zinc/82/35/85/936823585.db2.gz WXFAQOODZDLFHB-UHFFFAOYSA-N 1 2 253.298 1.483 20 10 CDCDLO CCOC(=O)C[N@@H+](CC)Cc1cc(O)ccc1O ZINC001141162602 936823587 /nfs/dbraw/zinc/82/35/87/936823587.db2.gz WXFAQOODZDLFHB-UHFFFAOYSA-N 1 2 253.298 1.483 20 10 CDCDLO O=C(c1cc(O)c(O)c(Cl)c1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001193613054 923805743 /nfs/dbraw/zinc/80/57/43/923805743.db2.gz YQAPXSQVHRQAJV-SECBINFHSA-N 1 2 282.727 1.281 20 10 CDCDLO O=C(c1cc(O)c(O)c(Cl)c1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001193613054 923805751 /nfs/dbraw/zinc/80/57/51/923805751.db2.gz YQAPXSQVHRQAJV-SECBINFHSA-N 1 2 282.727 1.281 20 10 CDCDLO Oc1cc(F)c(F)cc1CN1CC[NH+](C2CC2)CC1 ZINC001142508854 937025240 /nfs/dbraw/zinc/02/52/40/937025240.db2.gz OBNVEGPVYQVHEN-UHFFFAOYSA-N 1 2 268.307 1.950 20 10 CDCDLO CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001276354371 935042319 /nfs/dbraw/zinc/04/23/19/935042319.db2.gz SMIWESRRHAGARK-STQMWFEESA-N 1 2 250.317 1.810 20 10 CDCDLO CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001276354371 935042325 /nfs/dbraw/zinc/04/23/25/935042325.db2.gz SMIWESRRHAGARK-STQMWFEESA-N 1 2 250.317 1.810 20 10 CDCDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1Cl ZINC001276527629 940185868 /nfs/dbraw/zinc/18/58/68/940185868.db2.gz TXTVRPSPGCBAGL-OCAPTIKFSA-N 1 2 282.727 1.280 20 10 CDCDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1Cl ZINC001276527629 940185870 /nfs/dbraw/zinc/18/58/70/940185870.db2.gz TXTVRPSPGCBAGL-OCAPTIKFSA-N 1 2 282.727 1.280 20 10 CDCDLO Cc1[nH+]cc(N(CCO)c2ccc(N)cc2)cc1N ZINC001210288846 940679799 /nfs/dbraw/zinc/67/97/99/940679799.db2.gz VGTFIIRDASGIDJ-UHFFFAOYSA-N 1 2 258.325 1.685 20 10 CDCDLO NC(=O)c1cc2c([nH]1)C[N@H+](Cc1cc(O)ccc1O)CC2 ZINC001277658096 943251204 /nfs/dbraw/zinc/25/12/04/943251204.db2.gz YENNVRZOVONPJI-UHFFFAOYSA-N 1 2 287.319 1.083 20 10 CDCDLO NC(=O)c1cc2c([nH]1)C[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001277658096 943251208 /nfs/dbraw/zinc/25/12/08/943251208.db2.gz YENNVRZOVONPJI-UHFFFAOYSA-N 1 2 287.319 1.083 20 10 CDCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCOC[C@@H](O)C1 ZINC001237078334 944651967 /nfs/dbraw/zinc/65/19/67/944651967.db2.gz PVCCSOMCOZNVCM-QMMMGPOBSA-N 1 2 292.162 1.892 20 10 CDCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCOC[C@@H](O)C1 ZINC001237078334 944651969 /nfs/dbraw/zinc/65/19/69/944651969.db2.gz PVCCSOMCOZNVCM-QMMMGPOBSA-N 1 2 292.162 1.892 20 10 CDCDLO COc1cc(C[N@@H+]2CCNC(=O)C2(C)C)c(O)c(OC)c1 ZINC001237675233 944921723 /nfs/dbraw/zinc/92/17/23/944921723.db2.gz CNONLPCZUGZBGC-UHFFFAOYSA-N 1 2 294.351 1.120 20 10 CDCDLO COc1cc(C[N@H+]2CCNC(=O)C2(C)C)c(O)c(OC)c1 ZINC001237675233 944921731 /nfs/dbraw/zinc/92/17/31/944921731.db2.gz CNONLPCZUGZBGC-UHFFFAOYSA-N 1 2 294.351 1.120 20 10 CDCDLO Cc1cc(F)cc(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)c1O ZINC001238071742 945052322 /nfs/dbraw/zinc/05/23/22/945052322.db2.gz ZOAUUXZHJQGSEN-CYBMUJFWSA-N 1 2 278.327 1.646 20 10 CDCDLO Cc1cc(F)cc(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)c1O ZINC001238071742 945052335 /nfs/dbraw/zinc/05/23/35/945052335.db2.gz ZOAUUXZHJQGSEN-CYBMUJFWSA-N 1 2 278.327 1.646 20 10 CDCDLO Cc1nnc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)n1C ZINC001337785463 961419814 /nfs/dbraw/zinc/41/98/14/961419814.db2.gz NJGCXDBKFKWIJM-SSDOTTSWSA-N 1 2 282.294 1.958 20 10 CDCDLO C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000187684930 296120858 /nfs/dbraw/zinc/12/08/58/296120858.db2.gz UQOPPLWTXHBPMX-MRVPVSSYSA-N 1 2 272.295 1.799 20 10 CDCDLO COC(=O)[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000373489543 391121493 /nfs/dbraw/zinc/12/14/93/391121493.db2.gz LIFGBKCKFPCUAU-GFCCVEGCSA-N 1 2 292.379 1.815 20 10 CDCDLO C[C@H](O)CCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589998327 1173227169 /nfs/dbraw/zinc/22/71/69/1173227169.db2.gz RKGQXFXBNMKENH-UWVGGRQHSA-N 1 2 291.355 1.384 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cccc(F)c1O ZINC000377871329 329032708 /nfs/dbraw/zinc/03/27/08/329032708.db2.gz YTIIWEJHXOBRHT-NSHDSACASA-N 1 2 283.299 1.295 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cccc(F)c1O ZINC000377871329 329032710 /nfs/dbraw/zinc/03/27/10/329032710.db2.gz YTIIWEJHXOBRHT-NSHDSACASA-N 1 2 283.299 1.295 20 10 CDCDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ncnn1C ZINC000276639816 525516262 /nfs/dbraw/zinc/51/62/62/525516262.db2.gz HIXCCBICCYXWHP-MRVPVSSYSA-N 1 2 277.284 1.280 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000770669481 575483618 /nfs/dbraw/zinc/48/36/18/575483618.db2.gz YIXZQWONGKXRNT-UHFFFAOYSA-N 1 2 293.758 1.732 20 10 CDCDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1cc(F)ccc1O ZINC000895119098 619312482 /nfs/dbraw/zinc/31/24/82/619312482.db2.gz VGVMPHMYJRUPAQ-AEJSXWLSSA-N 1 2 266.316 1.629 20 10 CDCDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1cc(F)ccc1O ZINC000895119098 619312485 /nfs/dbraw/zinc/31/24/85/619312485.db2.gz VGVMPHMYJRUPAQ-AEJSXWLSSA-N 1 2 266.316 1.629 20 10 CDCDLO COc1c(N)[nH+]cnc1NCc1ccc(N(C)C)c(F)c1 ZINC000848658864 684368826 /nfs/dbraw/zinc/36/88/26/684368826.db2.gz ARIUEXNQXLMSSV-UHFFFAOYSA-N 1 2 291.330 1.885 20 10 CDCDLO COc1c(N)nc[nH+]c1NCc1ccc(N(C)C)c(F)c1 ZINC000848658864 684368831 /nfs/dbraw/zinc/36/88/31/684368831.db2.gz ARIUEXNQXLMSSV-UHFFFAOYSA-N 1 2 291.330 1.885 20 10 CDCDLO Cc1cc(C[N@H+]2CC(=O)N(C)C[C@H]2C)ccc1N(C)C ZINC000815098944 684572492 /nfs/dbraw/zinc/57/24/92/684572492.db2.gz OYJJPKJSXNZTRU-CYBMUJFWSA-N 1 2 275.396 1.724 20 10 CDCDLO Cc1cc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)ccc1N(C)C ZINC000815098944 684572495 /nfs/dbraw/zinc/57/24/95/684572495.db2.gz OYJJPKJSXNZTRU-CYBMUJFWSA-N 1 2 275.396 1.724 20 10 CDCDLO C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccccc1O ZINC000882502039 684651988 /nfs/dbraw/zinc/65/19/88/684651988.db2.gz FZGRGJVIJVQOKW-LLVKDONJSA-N 1 2 295.364 1.269 20 10 CDCDLO COc1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(O)c1 ZINC000848022424 685039001 /nfs/dbraw/zinc/03/90/01/685039001.db2.gz ATPJKSJOUAZTAO-JTQLQIEISA-N 1 2 289.335 1.619 20 10 CDCDLO COc1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(O)c1 ZINC000848022424 685039006 /nfs/dbraw/zinc/03/90/06/685039006.db2.gz ATPJKSJOUAZTAO-JTQLQIEISA-N 1 2 289.335 1.619 20 10 CDCDLO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(F)cc1O ZINC000702652493 685163836 /nfs/dbraw/zinc/16/38/36/685163836.db2.gz LISNYEKQHCAJRX-IINYFYTJSA-N 1 2 268.332 1.249 20 10 CDCDLO CCC[N@H+](CC(N)=O)Cc1cc(F)cc(C(C)=O)c1O ZINC000383309854 685239008 /nfs/dbraw/zinc/23/90/08/685239008.db2.gz SCMZATSDFDUZQA-UHFFFAOYSA-N 1 2 282.315 1.431 20 10 CDCDLO CCC[N@@H+](CC(N)=O)Cc1cc(F)cc(C(C)=O)c1O ZINC000383309854 685239021 /nfs/dbraw/zinc/23/90/21/685239021.db2.gz SCMZATSDFDUZQA-UHFFFAOYSA-N 1 2 282.315 1.431 20 10 CDCDLO Cc1nonc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000809744199 687131384 /nfs/dbraw/zinc/13/13/84/687131384.db2.gz ABKDLSITCNORAX-UHFFFAOYSA-N 1 2 264.304 1.873 20 10 CDCDLO O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857944109 687154150 /nfs/dbraw/zinc/15/41/50/687154150.db2.gz IXNZWJGTMQRKDU-DTRQGZQOSA-N 1 2 299.330 1.439 20 10 CDCDLO NC(=O)c1csc(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000850383611 687470769 /nfs/dbraw/zinc/47/07/69/687470769.db2.gz ILYXIRGKYCANNZ-UHFFFAOYSA-N 1 2 289.360 1.467 20 10 CDCDLO CN1CCN(C)[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708394009 687583432 /nfs/dbraw/zinc/58/34/32/687583432.db2.gz NOFQCGRIIJAVCS-LBPRGKRZSA-N 1 2 285.338 1.006 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC001139126720 936599668 /nfs/dbraw/zinc/59/96/68/936599668.db2.gz NTWAUAJADDZFBN-IINYFYTJSA-N 1 2 289.331 1.620 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC001139126720 936599669 /nfs/dbraw/zinc/59/96/69/936599669.db2.gz NTWAUAJADDZFBN-IINYFYTJSA-N 1 2 289.331 1.620 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@](C)(O)C1 ZINC001139125158 936599764 /nfs/dbraw/zinc/59/97/64/936599764.db2.gz NTSRVBAPZIPTOE-MRXNPFEDSA-N 1 2 289.331 1.764 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@](C)(O)C1 ZINC001139125158 936599765 /nfs/dbraw/zinc/59/97/65/936599765.db2.gz NTSRVBAPZIPTOE-MRXNPFEDSA-N 1 2 289.331 1.764 20 10 CDCDLO COc1ccc(C[N@@H+]2CCN(C(C)C)C(=O)C2)c(O)c1 ZINC001203629288 919792914 /nfs/dbraw/zinc/79/29/14/919792914.db2.gz VSVXDRFMPFYCOG-UHFFFAOYSA-N 1 2 278.352 1.453 20 10 CDCDLO COc1ccc(C[N@H+]2CCN(C(C)C)C(=O)C2)c(O)c1 ZINC001203629288 919792927 /nfs/dbraw/zinc/79/29/27/919792927.db2.gz VSVXDRFMPFYCOG-UHFFFAOYSA-N 1 2 278.352 1.453 20 10 CDCDLO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NC2C[NH+](C)C2)c1 ZINC001186848799 920179727 /nfs/dbraw/zinc/17/97/27/920179727.db2.gz GAGQFFUNIGSBIH-UHFFFAOYSA-N 1 2 299.374 1.844 20 10 CDCDLO O=S1CC2(C[NH+](Cc3c(O)cccc3Cl)C2)C1 ZINC001140337950 936703027 /nfs/dbraw/zinc/70/30/27/936703027.db2.gz OHSUZNRLIDPKNG-UHFFFAOYSA-N 1 2 271.769 1.610 20 10 CDCDLO CS(=O)(=O)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159524 936821949 /nfs/dbraw/zinc/82/19/49/936821949.db2.gz IJWSWKRFEXFFTO-UHFFFAOYSA-N 1 2 285.365 1.107 20 10 CDCDLO C[C@]1(O)COCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508910 937024974 /nfs/dbraw/zinc/02/49/74/937024974.db2.gz PPBBAQXKUDSHRI-CYBMUJFWSA-N 1 2 273.279 1.254 20 10 CDCDLO C[C@H](C[NH3+])[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843052205 937106903 /nfs/dbraw/zinc/10/69/03/937106903.db2.gz PDPQZEWKLNROCQ-SSDOTTSWSA-N 1 2 273.720 1.733 20 10 CDCDLO C[C@H](C[NH3+])[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843052205 937106907 /nfs/dbraw/zinc/10/69/07/937106907.db2.gz PDPQZEWKLNROCQ-SSDOTTSWSA-N 1 2 273.720 1.733 20 10 CDCDLO O=C(NCc1ccccc1O)c1cccc2[nH+]ccn21 ZINC001154526404 937553864 /nfs/dbraw/zinc/55/38/64/937553864.db2.gz QXNBBCYHMFJDHN-UHFFFAOYSA-N 1 2 267.288 1.970 20 10 CDCDLO COc1ccc(C[NH+]2CC(C)(OC)C2)c(O)c1OC ZINC001119970151 937769149 /nfs/dbraw/zinc/76/91/49/937769149.db2.gz PHIYWDKQZUHEPZ-UHFFFAOYSA-N 1 2 267.325 1.630 20 10 CDCDLO Oc1ccc(C[NH+]2CCN(CCF)CC2)cc1O ZINC001203882764 939711745 /nfs/dbraw/zinc/71/17/45/939711745.db2.gz UUUOXVVAWBDCQA-UHFFFAOYSA-N 1 2 254.305 1.185 20 10 CDCDLO O=S1CC2(C[NH+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001204326528 939756307 /nfs/dbraw/zinc/75/63/07/939756307.db2.gz ZAOAGKLDAVDONT-UHFFFAOYSA-N 1 2 290.432 1.851 20 10 CDCDLO [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1O ZINC001206513056 940052173 /nfs/dbraw/zinc/05/21/73/940052173.db2.gz XTRIYKKOAYKGIK-KWQFWETISA-N 1 2 291.178 1.450 20 10 CDCDLO [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1O ZINC001206513056 940052178 /nfs/dbraw/zinc/05/21/78/940052178.db2.gz XTRIYKKOAYKGIK-KWQFWETISA-N 1 2 291.178 1.450 20 10 CDCDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1ccc(F)c(F)c1O)C2 ZINC001276856931 941650460 /nfs/dbraw/zinc/65/04/60/941650460.db2.gz OLCOMRBLFKGXFY-KOLCDFICSA-N 1 2 268.307 1.806 20 10 CDCDLO C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1ccc(F)c(F)c1O)C2 ZINC001276856931 941650464 /nfs/dbraw/zinc/65/04/64/941650464.db2.gz OLCOMRBLFKGXFY-KOLCDFICSA-N 1 2 268.307 1.806 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(OC)c(O)cc1O ZINC001231636113 942951315 /nfs/dbraw/zinc/95/13/15/942951315.db2.gz RGFJOZQCEMEAPR-MRVPVSSYSA-N 1 2 269.297 1.100 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(OC)c(O)cc1O ZINC001231636113 942951322 /nfs/dbraw/zinc/95/13/22/942951322.db2.gz RGFJOZQCEMEAPR-MRVPVSSYSA-N 1 2 269.297 1.100 20 10 CDCDLO OC[C@H]1C[C@H](F)C[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260426 943193154 /nfs/dbraw/zinc/19/31/54/943193154.db2.gz QADPWNFGSQMMMI-WPRPVWTQSA-N 1 2 289.734 1.904 20 10 CDCDLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260426 943193159 /nfs/dbraw/zinc/19/31/59/943193159.db2.gz QADPWNFGSQMMMI-WPRPVWTQSA-N 1 2 289.734 1.904 20 10 CDCDLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233078776 943486688 /nfs/dbraw/zinc/48/66/88/943486688.db2.gz JORBUMODXZQSGT-NSHDSACASA-N 1 2 284.306 1.723 20 10 CDCDLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233078776 943486691 /nfs/dbraw/zinc/48/66/91/943486691.db2.gz JORBUMODXZQSGT-NSHDSACASA-N 1 2 284.306 1.723 20 10 CDCDLO CN(C)C(=O)C[N@H+](C)Cc1cccc(C(F)(F)F)c1O ZINC001233418378 943580758 /nfs/dbraw/zinc/58/07/58/943580758.db2.gz DZHRIODIECOFLD-UHFFFAOYSA-N 1 2 290.285 1.931 20 10 CDCDLO CN(C)C(=O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1O ZINC001233418378 943580762 /nfs/dbraw/zinc/58/07/62/943580762.db2.gz DZHRIODIECOFLD-UHFFFAOYSA-N 1 2 290.285 1.931 20 10 CDCDLO CCOc1ccc(C[NH+]2CCN(C#N)CC2)c(O)c1 ZINC001237047331 944646432 /nfs/dbraw/zinc/64/64/32/944646432.db2.gz LHJWJOIMQDYMDS-UHFFFAOYSA-N 1 2 261.325 1.390 20 10 CDCDLO NC(=O)c1csc(C[NH2+]Cc2cccc(F)c2O)n1 ZINC001308869106 956593353 /nfs/dbraw/zinc/59/33/53/956593353.db2.gz VCCCBAJPRGOXFI-UHFFFAOYSA-N 1 2 281.312 1.377 20 10 CDCDLO Cn1c[nH+]cc1CCC(=O)NCc1cccc(O)c1O ZINC001347541146 965578846 /nfs/dbraw/zinc/57/88/46/965578846.db2.gz CVUOMRLFRRKARH-UHFFFAOYSA-N 1 2 275.308 1.080 20 10 CDCDLO CN(C)c1ccc(CNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000030989582 348681938 /nfs/dbraw/zinc/68/19/38/348681938.db2.gz JQBTWXNNDDWSQK-UHFFFAOYSA-N 1 2 287.367 1.449 20 10 CDCDLO O=C1CC[N@H+](Cc2cccc(Cl)c2O)CCN1 ZINC000180061501 357241063 /nfs/dbraw/zinc/24/10/63/357241063.db2.gz UJLDFOJPGKFUPA-UHFFFAOYSA-N 1 2 254.717 1.368 20 10 CDCDLO O=C1CC[N@@H+](Cc2cccc(Cl)c2O)CCN1 ZINC000180061501 357241067 /nfs/dbraw/zinc/24/10/67/357241067.db2.gz UJLDFOJPGKFUPA-UHFFFAOYSA-N 1 2 254.717 1.368 20 10 CDCDLO COc1c(O)c(C[NH2+]CC(F)F)ccc1[N+](=O)[O-] ZINC000298045052 200322092 /nfs/dbraw/zinc/32/20/92/200322092.db2.gz HUOALDOKSISOSI-UHFFFAOYSA-N 1 2 262.212 1.664 20 10 CDCDLO CC(=O)N1CC[N@H+](Cc2cccc(F)c2O)[C@@H](C)C1 ZINC000272327187 365191278 /nfs/dbraw/zinc/19/12/78/365191278.db2.gz VLQMXLBLHMODTI-JTQLQIEISA-N 1 2 266.316 1.584 20 10 CDCDLO CC(=O)N1CC[N@@H+](Cc2cccc(F)c2O)[C@@H](C)C1 ZINC000272327187 365191281 /nfs/dbraw/zinc/19/12/81/365191281.db2.gz VLQMXLBLHMODTI-JTQLQIEISA-N 1 2 266.316 1.584 20 10 CDCDLO COc1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000171911671 365427497 /nfs/dbraw/zinc/42/74/97/365427497.db2.gz OHWGBLJYMAAWAQ-UHFFFAOYSA-N 1 2 272.352 1.741 20 10 CDCDLO CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1[nH]cc[nH+]1 ZINC000283035932 368157264 /nfs/dbraw/zinc/15/72/64/368157264.db2.gz OZHAUAMBBHKBMA-NSHDSACASA-N 1 2 275.308 1.948 20 10 CDCDLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000276698381 284323814 /nfs/dbraw/zinc/32/38/14/284323814.db2.gz VLCVFWWEPMFIGB-UWVGGRQHSA-N 1 2 295.339 1.818 20 10 CDCDLO COC[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1O)OC ZINC000276916062 263038646 /nfs/dbraw/zinc/03/86/46/263038646.db2.gz LQYIRUMNELVJOQ-IUCAKERBSA-N 1 2 275.295 1.982 20 10 CDCDLO O=C1OC[C@H]2C[N@H+](Cc3cccc(Cl)c3O)CCN12 ZINC000378443588 329050384 /nfs/dbraw/zinc/05/03/84/329050384.db2.gz MZZZJDZIFLUCAR-SNVBAGLBSA-N 1 2 282.727 1.682 20 10 CDCDLO O=C1OC[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCN12 ZINC000378443588 329050386 /nfs/dbraw/zinc/05/03/86/329050386.db2.gz MZZZJDZIFLUCAR-SNVBAGLBSA-N 1 2 282.727 1.682 20 10 CDCDLO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)CC[S@]1=O ZINC000277418870 524508937 /nfs/dbraw/zinc/50/89/37/524508937.db2.gz ICHDTXOKDKNNGC-MGNBDDOMSA-N 1 2 271.357 1.874 20 10 CDCDLO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)CC[S@]1=O ZINC000277418870 524508945 /nfs/dbraw/zinc/50/89/45/524508945.db2.gz ICHDTXOKDKNNGC-MGNBDDOMSA-N 1 2 271.357 1.874 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000768232178 576266132 /nfs/dbraw/zinc/26/61/32/576266132.db2.gz ZCXMLTBCFDENSC-CYBMUJFWSA-N 1 2 294.370 1.883 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000768232178 576266133 /nfs/dbraw/zinc/26/61/33/576266133.db2.gz ZCXMLTBCFDENSC-CYBMUJFWSA-N 1 2 294.370 1.883 20 10 CDCDLO CN1CC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000042546222 624470128 /nfs/dbraw/zinc/47/01/28/624470128.db2.gz SOXYVQWPZVXHMC-JTQLQIEISA-N 1 2 285.185 1.948 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@H](CO)C2)cc1Cl ZINC000824782862 694046148 /nfs/dbraw/zinc/04/61/48/694046148.db2.gz NVMCUSFRQVRIGV-NSHDSACASA-N 1 2 271.744 1.547 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2CCO[C@H](CO)C2)cc1Cl ZINC000824782862 694046153 /nfs/dbraw/zinc/04/61/53/694046153.db2.gz NVMCUSFRQVRIGV-NSHDSACASA-N 1 2 271.744 1.547 20 10 CDCDLO Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)c(O)c1O ZINC000182811321 688336385 /nfs/dbraw/zinc/33/63/85/688336385.db2.gz WEPDCVJDHXUAAE-UHFFFAOYSA-N 1 2 297.314 1.984 20 10 CDCDLO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000834899721 688493792 /nfs/dbraw/zinc/49/37/92/688493792.db2.gz JSXKHLGODXKSIL-YUMQZZPRSA-N 1 2 272.295 1.846 20 10 CDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779499489 694458829 /nfs/dbraw/zinc/45/88/29/694458829.db2.gz IBYIECNAWUNCPQ-MZBZXASESA-N 1 2 287.319 1.512 20 10 CDCDLO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883044202 692211092 /nfs/dbraw/zinc/21/10/92/692211092.db2.gz KVBNHOMGYYUBCE-NSHDSACASA-N 1 2 299.321 1.564 20 10 CDCDLO Cc1n[nH]c(CC[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000708387990 694588506 /nfs/dbraw/zinc/58/85/06/694588506.db2.gz FFTBQBNGUAJNIB-UHFFFAOYSA-N 1 2 268.267 1.429 20 10 CDCDLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccccc1O ZINC000864425136 693363125 /nfs/dbraw/zinc/36/31/25/693363125.db2.gz ULLKIFGKKXFSNL-LLVKDONJSA-N 1 2 274.324 1.649 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC)[NH+](C)C ZINC000935944863 694821699 /nfs/dbraw/zinc/82/16/99/694821699.db2.gz BCVHWKXGHYUEJQ-LLVKDONJSA-N 1 2 285.384 1.834 20 10 CDCDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000800534876 694659941 /nfs/dbraw/zinc/65/99/41/694659941.db2.gz QGTRWQRXENSUFF-SNVBAGLBSA-N 1 2 273.329 1.150 20 10 CDCDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000800534876 694659943 /nfs/dbraw/zinc/65/99/43/694659943.db2.gz QGTRWQRXENSUFF-SNVBAGLBSA-N 1 2 273.329 1.150 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001604357024 1163163223 /nfs/dbraw/zinc/16/32/23/1163163223.db2.gz FVDLLHOOBKZRPC-KBVBSXBZSA-N 1 2 264.325 1.349 20 10 CDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CC[C@H](C)C1 ZINC001170091306 1162060249 /nfs/dbraw/zinc/06/02/49/1162060249.db2.gz FRESPZIXLHOIDA-DRZSPHRISA-N 1 2 293.363 1.960 20 10 CDCDLO CC(C)([NH3+])C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001603669270 1175592937 /nfs/dbraw/zinc/59/29/37/1175592937.db2.gz URNSLFPUCLFKJO-UHFFFAOYSA-N 1 2 286.759 1.670 20 10 CDCDLO CC(C)([NH3+])C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001603669270 1175592942 /nfs/dbraw/zinc/59/29/42/1175592942.db2.gz URNSLFPUCLFKJO-UHFFFAOYSA-N 1 2 286.759 1.670 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000876746002 723531927 /nfs/dbraw/zinc/53/19/27/723531927.db2.gz HVLLFZOQUCGXLW-ZDUSSCGKSA-N 1 2 279.336 1.465 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000876746002 723531932 /nfs/dbraw/zinc/53/19/32/723531932.db2.gz HVLLFZOQUCGXLW-ZDUSSCGKSA-N 1 2 279.336 1.465 20 10 CDCDLO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H](C)[N@H+]1C ZINC000832893775 723148885 /nfs/dbraw/zinc/14/88/85/723148885.db2.gz AWZDHRJIUYYBLL-DTORHVGOSA-N 1 2 254.355 1.618 20 10 CDCDLO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H](C)[N@@H+]1C ZINC000832893775 723148887 /nfs/dbraw/zinc/14/88/87/723148887.db2.gz AWZDHRJIUYYBLL-DTORHVGOSA-N 1 2 254.355 1.618 20 10 CDCDLO COc1cccc(O)c1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000827119552 936490438 /nfs/dbraw/zinc/49/04/38/936490438.db2.gz NCEAFQQVMLSGCY-ZDUSSCGKSA-N 1 2 292.379 1.307 20 10 CDCDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138220809 936494944 /nfs/dbraw/zinc/49/49/44/936494944.db2.gz NMQKUJYVSJGSQS-CQSZACIVSA-N 1 2 287.407 1.997 20 10 CDCDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138220809 936494945 /nfs/dbraw/zinc/49/49/45/936494945.db2.gz NMQKUJYVSJGSQS-CQSZACIVSA-N 1 2 287.407 1.997 20 10 CDCDLO C[NH+](C)C[C@H]1COCCN1Cc1c(F)ccc(F)c1O ZINC001139685210 936635454 /nfs/dbraw/zinc/63/54/54/936635454.db2.gz AZXTVWIYCVZVAP-JTQLQIEISA-N 1 2 286.322 1.433 20 10 CDCDLO C[C@@H]1CN(C2C[NH+](Cc3cc(F)ccc3O)C2)C[C@H](C)O1 ZINC001140056421 936674904 /nfs/dbraw/zinc/67/49/04/936674904.db2.gz WJNPTMKILMPJCA-TXEJJXNPSA-N 1 2 294.370 1.825 20 10 CDCDLO NC(=O)NC1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583084 936727673 /nfs/dbraw/zinc/72/76/73/936727673.db2.gz VVISZRPDFGTQFK-UHFFFAOYSA-N 1 2 285.294 1.303 20 10 CDCDLO CC1(C(N)=O)CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583814 936727737 /nfs/dbraw/zinc/72/77/37/936727737.db2.gz UHFJLDBRFACWIT-UHFFFAOYSA-N 1 2 284.306 1.758 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(Cl)c1 ZINC001140922007 936776459 /nfs/dbraw/zinc/77/64/59/936776459.db2.gz ZOWGKTNZMCSEDA-ZDUSSCGKSA-N 1 2 281.787 1.856 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c(Cl)c1 ZINC001140922007 936776461 /nfs/dbraw/zinc/77/64/61/936776461.db2.gz ZOWGKTNZMCSEDA-ZDUSSCGKSA-N 1 2 281.787 1.856 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c(OC)c1 ZINC001141031282 936795116 /nfs/dbraw/zinc/79/51/16/936795116.db2.gz BHAGOKSZGZGTSF-NWDGAFQWSA-N 1 2 285.315 1.314 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c(OC)c1 ZINC001141031282 936795119 /nfs/dbraw/zinc/79/51/19/936795119.db2.gz BHAGOKSZGZGTSF-NWDGAFQWSA-N 1 2 285.315 1.314 20 10 CDCDLO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(O)cc(OC)cc1OC ZINC001141032980 936795646 /nfs/dbraw/zinc/79/56/46/936795646.db2.gz VWWWONVUAGLVOF-RYUDHWBXSA-N 1 2 292.379 1.688 20 10 CDCDLO CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(O)cc(OC)cc1OC ZINC001141032980 936795649 /nfs/dbraw/zinc/79/56/49/936795649.db2.gz VWWWONVUAGLVOF-RYUDHWBXSA-N 1 2 292.379 1.688 20 10 CDCDLO CC[N@H+](Cc1c(O)cc(OC)cc1OC)C1COC1 ZINC001141028960 936794171 /nfs/dbraw/zinc/79/41/71/936794171.db2.gz FMRRKKLTVSYXIY-UHFFFAOYSA-N 1 2 267.325 1.630 20 10 CDCDLO CC[N@@H+](Cc1c(O)cc(OC)cc1OC)C1COC1 ZINC001141028960 936794172 /nfs/dbraw/zinc/79/41/72/936794172.db2.gz FMRRKKLTVSYXIY-UHFFFAOYSA-N 1 2 267.325 1.630 20 10 CDCDLO CN1CCOc2cc(C[N@H+](C)Cc3ncccn3)ccc21 ZINC001141139958 936818797 /nfs/dbraw/zinc/81/87/97/936818797.db2.gz FZJGRWYJENNFKQ-UHFFFAOYSA-N 1 2 284.363 1.937 20 10 CDCDLO CN1CCOc2cc(C[N@@H+](C)Cc3ncccn3)ccc21 ZINC001141139958 936818800 /nfs/dbraw/zinc/81/88/00/936818800.db2.gz FZJGRWYJENNFKQ-UHFFFAOYSA-N 1 2 284.363 1.937 20 10 CDCDLO C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(O)cc2O)C1 ZINC001205807310 925165393 /nfs/dbraw/zinc/16/53/93/925165393.db2.gz ZQEQQMVEPUBYQH-PWSUYJOCSA-N 1 2 250.342 1.657 20 10 CDCDLO C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001205807310 925165394 /nfs/dbraw/zinc/16/53/94/925165394.db2.gz ZQEQQMVEPUBYQH-PWSUYJOCSA-N 1 2 250.342 1.657 20 10 CDCDLO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(F)cc(F)c1O ZINC000858602255 928894338 /nfs/dbraw/zinc/89/43/38/928894338.db2.gz VAIKMSNLSSCLLK-ONGXEEELSA-N 1 2 286.322 1.388 20 10 CDCDLO CC(C)[N@H+](CC(N)=O)Cc1cc(F)c(N(C)C)cc1F ZINC000862212777 929385989 /nfs/dbraw/zinc/38/59/89/929385989.db2.gz LKUWYZSAOLARFS-UHFFFAOYSA-N 1 2 285.338 1.727 20 10 CDCDLO CC(C)[N@@H+](CC(N)=O)Cc1cc(F)c(N(C)C)cc1F ZINC000862212777 929385997 /nfs/dbraw/zinc/38/59/97/929385997.db2.gz LKUWYZSAOLARFS-UHFFFAOYSA-N 1 2 285.338 1.727 20 10 CDCDLO Cn1nccc1[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883144485 930151876 /nfs/dbraw/zinc/15/18/76/930151876.db2.gz QIWFBBLMIUWJAJ-LLVKDONJSA-N 1 2 283.278 1.227 20 10 CDCDLO CCn1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)nn1 ZINC000929226309 933216756 /nfs/dbraw/zinc/21/67/56/933216756.db2.gz QCLQNNOLZUMRFK-UHFFFAOYSA-N 1 2 273.384 1.996 20 10 CDCDLO CCn1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)nn1 ZINC000929226309 933216760 /nfs/dbraw/zinc/21/67/60/933216760.db2.gz QCLQNNOLZUMRFK-UHFFFAOYSA-N 1 2 273.384 1.996 20 10 CDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCS1 ZINC001203881863 939711641 /nfs/dbraw/zinc/71/16/41/939711641.db2.gz VVXBGHZZGZROOW-CYBMUJFWSA-N 1 2 297.376 1.578 20 10 CDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCS1 ZINC001203881863 939711643 /nfs/dbraw/zinc/71/16/43/939711643.db2.gz VVXBGHZZGZROOW-CYBMUJFWSA-N 1 2 297.376 1.578 20 10 CDCDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204322591 939755460 /nfs/dbraw/zinc/75/54/60/939755460.db2.gz SRSXDDNFFHRNOW-CYBMUJFWSA-N 1 2 273.380 1.607 20 10 CDCDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204322591 939755462 /nfs/dbraw/zinc/75/54/62/939755462.db2.gz SRSXDDNFFHRNOW-CYBMUJFWSA-N 1 2 273.380 1.607 20 10 CDCDLO CCCOC1C[NH+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231636352 942951745 /nfs/dbraw/zinc/95/17/45/942951745.db2.gz SXFJBPUQZLJYJL-UHFFFAOYSA-N 1 2 267.325 1.717 20 10 CDCDLO O=C1NC[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC001231912355 943050310 /nfs/dbraw/zinc/05/03/10/943050310.db2.gz FOKZTFLQVUSLHN-ONGXEEELSA-N 1 2 280.755 1.614 20 10 CDCDLO O=C1NC[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC001231912355 943050315 /nfs/dbraw/zinc/05/03/15/943050315.db2.gz FOKZTFLQVUSLHN-ONGXEEELSA-N 1 2 280.755 1.614 20 10 CDCDLO OC[C@]1(F)CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260457 943192026 /nfs/dbraw/zinc/19/20/26/943192026.db2.gz QPMCVNBTXFEHRZ-LBPRGKRZSA-N 1 2 275.707 1.658 20 10 CDCDLO OC[C@]1(F)CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260457 943192030 /nfs/dbraw/zinc/19/20/30/943192030.db2.gz QPMCVNBTXFEHRZ-LBPRGKRZSA-N 1 2 275.707 1.658 20 10 CDCDLO COC(=O)C1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014319 943463543 /nfs/dbraw/zinc/46/35/43/943463543.db2.gz OVDIZCPVVYYELY-UHFFFAOYSA-N 1 2 281.308 1.188 20 10 CDCDLO NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC001233074842 943485681 /nfs/dbraw/zinc/48/56/81/943485681.db2.gz YIMFPHGFFPQBPF-UHFFFAOYSA-N 1 2 285.294 1.303 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2CCn3cccc3C2)cc1O ZINC001233485480 943592120 /nfs/dbraw/zinc/59/21/20/943592120.db2.gz XIHBBAKQARLZHP-UHFFFAOYSA-N 1 2 260.293 1.621 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2CCn3cccc3C2)cc1O ZINC001233485480 943592127 /nfs/dbraw/zinc/59/21/27/943592127.db2.gz XIHBBAKQARLZHP-UHFFFAOYSA-N 1 2 260.293 1.621 20 10 CDCDLO COC(=O)NC1C[NH+](Cc2ccc(N(C)C)cc2C)C1 ZINC001325242553 953792562 /nfs/dbraw/zinc/79/25/62/953792562.db2.gz RIJGTZHGMGYZCO-UHFFFAOYSA-N 1 2 277.368 1.601 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cc(F)ccc1O ZINC000180068365 357240996 /nfs/dbraw/zinc/24/09/96/357240996.db2.gz RJOXGNHCYIDKGZ-NSHDSACASA-N 1 2 252.289 1.242 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000179710400 357221897 /nfs/dbraw/zinc/22/18/97/357221897.db2.gz RSVKMDBPCVGXDX-UHFFFAOYSA-N 1 2 257.717 1.959 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000179710400 357221898 /nfs/dbraw/zinc/22/18/98/357221898.db2.gz RSVKMDBPCVGXDX-UHFFFAOYSA-N 1 2 257.717 1.959 20 10 CDCDLO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179866382 357228883 /nfs/dbraw/zinc/22/88/83/357228883.db2.gz YNASPDCAQHADQE-NSHDSACASA-N 1 2 273.329 1.150 20 10 CDCDLO C[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179866382 357228885 /nfs/dbraw/zinc/22/88/85/357228885.db2.gz YNASPDCAQHADQE-NSHDSACASA-N 1 2 273.329 1.150 20 10 CDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000188787842 357937289 /nfs/dbraw/zinc/93/72/89/357937289.db2.gz YPGUNYQQPGBQBA-OLZOCXBDSA-N 1 2 283.299 1.030 20 10 CDCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000294748190 199164782 /nfs/dbraw/zinc/16/47/82/199164782.db2.gz HZFJADQGJUMVLG-JTQLQIEISA-N 1 2 292.162 1.892 20 10 CDCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000294748190 199164784 /nfs/dbraw/zinc/16/47/84/199164784.db2.gz HZFJADQGJUMVLG-JTQLQIEISA-N 1 2 292.162 1.892 20 10 CDCDLO COc1cc(O)c(C[NH+]2CCOCC2)cc1OC ZINC000158823173 364102856 /nfs/dbraw/zinc/10/28/56/364102856.db2.gz BGWGZVMXWOJTPP-UHFFFAOYSA-N 1 2 253.298 1.242 20 10 CDCDLO Nc1ccc(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000269245062 364168283 /nfs/dbraw/zinc/16/82/83/364168283.db2.gz LRLYRMKAVMSXFN-UHFFFAOYSA-N 1 2 284.363 1.941 20 10 CDCDLO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)n(C)n1 ZINC000283994385 368446694 /nfs/dbraw/zinc/44/66/94/368446694.db2.gz OZRLXGIHZPQUIH-UHFFFAOYSA-N 1 2 276.296 1.632 20 10 CDCDLO COc1ccc(O)c(C[N@H+](C)Cc2nccn2C)c1 ZINC000134107638 369517078 /nfs/dbraw/zinc/51/70/78/369517078.db2.gz ZVHOFPWUMRWDBS-UHFFFAOYSA-N 1 2 261.325 1.766 20 10 CDCDLO COc1ccc(O)c(C[N@@H+](C)Cc2nccn2C)c1 ZINC000134107638 369517082 /nfs/dbraw/zinc/51/70/82/369517082.db2.gz ZVHOFPWUMRWDBS-UHFFFAOYSA-N 1 2 261.325 1.766 20 10 CDCDLO C[N@H+](Cc1cccc(Cl)c1O)[C@@H]1COC[C@H]1O ZINC000289623649 369594648 /nfs/dbraw/zinc/59/46/48/369594648.db2.gz LQPSPLNQTBGUCI-GHMZBOCLSA-N 1 2 257.717 1.237 20 10 CDCDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1COC[C@H]1O ZINC000289623649 369594651 /nfs/dbraw/zinc/59/46/51/369594651.db2.gz LQPSPLNQTBGUCI-GHMZBOCLSA-N 1 2 257.717 1.237 20 10 CDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1cccc(OC)c1O ZINC000093643471 390903852 /nfs/dbraw/zinc/90/38/52/390903852.db2.gz VFLGHCWJGBFDTO-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cccc(OC)c1O ZINC000093643471 390903854 /nfs/dbraw/zinc/90/38/54/390903854.db2.gz VFLGHCWJGBFDTO-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO CCN(CC)c1ccc(C[NH2+]Cc2ncn(C)n2)cc1 ZINC000092852500 260272702 /nfs/dbraw/zinc/27/27/02/260272702.db2.gz RCPPLRBBZXTEMC-UHFFFAOYSA-N 1 2 273.384 1.951 20 10 CDCDLO CCOC(=O)[C@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000049368822 521207666 /nfs/dbraw/zinc/20/76/66/521207666.db2.gz OGIZCPKJELKHNH-JTQLQIEISA-N 1 2 267.325 1.832 20 10 CDCDLO COc1ccc(O)c(C[NH2+][C@]2(C)CCOC2=O)c1 ZINC000290772388 524754893 /nfs/dbraw/zinc/75/48/93/524754893.db2.gz CFRGKWNTACSVHS-CYBMUJFWSA-N 1 2 251.282 1.196 20 10 CDCDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769516360 575355140 /nfs/dbraw/zinc/35/51/40/575355140.db2.gz SZRVBSSDRBFQCU-HNNXBMFYSA-N 1 2 293.386 1.992 20 10 CDCDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769516360 575355141 /nfs/dbraw/zinc/35/51/41/575355141.db2.gz SZRVBSSDRBFQCU-HNNXBMFYSA-N 1 2 293.386 1.992 20 10 CDCDLO CC[C@H](CO)Nc1cc(NCc2ccccc2O)[nH+]cn1 ZINC000892160660 617516245 /nfs/dbraw/zinc/51/62/45/617516245.db2.gz BOGIIVCBKXNDDR-GFCCVEGCSA-N 1 2 288.351 1.977 20 10 CDCDLO CC[C@H](CO)Nc1cc(NCc2ccccc2O)nc[nH+]1 ZINC000892160660 617516249 /nfs/dbraw/zinc/51/62/49/617516249.db2.gz BOGIIVCBKXNDDR-GFCCVEGCSA-N 1 2 288.351 1.977 20 10 CDCDLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000799737802 620745540 /nfs/dbraw/zinc/74/55/40/620745540.db2.gz NDBPVHMOPQDUDG-RDDDGLTNSA-N 1 2 286.734 1.799 20 10 CDCDLO O=C(NCc1ccccc1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000787132279 618370339 /nfs/dbraw/zinc/37/03/39/618370339.db2.gz XVMDHTZMSARVRQ-GFCCVEGCSA-N 1 2 271.320 1.468 20 10 CDCDLO OC[C@H]1[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3O)C[C@H]12 ZINC000894841119 619091410 /nfs/dbraw/zinc/09/14/10/619091410.db2.gz XQRZFKVKJXIOPM-URLYPYJESA-N 1 2 255.264 1.341 20 10 CDCDLO OC[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)C[C@H]12 ZINC000894841119 619091413 /nfs/dbraw/zinc/09/14/13/619091413.db2.gz XQRZFKVKJXIOPM-URLYPYJESA-N 1 2 255.264 1.341 20 10 CDCDLO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCCN1C ZINC000817417471 695826200 /nfs/dbraw/zinc/82/62/00/695826200.db2.gz NNNFUNZGQSYZIV-GFCCVEGCSA-N 1 2 264.369 1.927 20 10 CDCDLO COc1cccc(O)c1C[N@@H+](C)C[C@H]1CCCN1C ZINC000817417471 695826202 /nfs/dbraw/zinc/82/62/02/695826202.db2.gz NNNFUNZGQSYZIV-GFCCVEGCSA-N 1 2 264.369 1.927 20 10 CDCDLO CC(=O)c1cc(F)cc(CNCC2([NH3+])CCC2)c1O ZINC000843368085 695679390 /nfs/dbraw/zinc/67/93/90/695679390.db2.gz ORWKTAWXJPUDLS-UHFFFAOYSA-N 1 2 266.316 1.705 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000876746000 695826081 /nfs/dbraw/zinc/82/60/81/695826081.db2.gz HVLLFZOQUCGXLW-CYBMUJFWSA-N 1 2 279.336 1.465 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000876746000 695826084 /nfs/dbraw/zinc/82/60/84/695826084.db2.gz HVLLFZOQUCGXLW-CYBMUJFWSA-N 1 2 279.336 1.465 20 10 CDCDLO O=C1CC[N@H+](Cc2cc(Cl)cc(F)c2O)CCN1 ZINC000775676959 695950869 /nfs/dbraw/zinc/95/08/69/695950869.db2.gz CZCIZXPHDAFHTQ-UHFFFAOYSA-N 1 2 272.707 1.507 20 10 CDCDLO O=C1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)CCN1 ZINC000775676959 695950876 /nfs/dbraw/zinc/95/08/76/695950876.db2.gz CZCIZXPHDAFHTQ-UHFFFAOYSA-N 1 2 272.707 1.507 20 10 CDCDLO OC[C@H]1CCn2nccc2C[N@@H+]1Cc1c(O)cccc1F ZINC001137840344 1167031126 /nfs/dbraw/zinc/03/11/26/1167031126.db2.gz YJVATNULUONVIX-GFCCVEGCSA-N 1 2 291.326 1.495 20 10 CDCDLO OC[C@H]1CCn2nccc2C[N@H+]1Cc1c(O)cccc1F ZINC001137840344 1167031133 /nfs/dbraw/zinc/03/11/33/1167031133.db2.gz YJVATNULUONVIX-GFCCVEGCSA-N 1 2 291.326 1.495 20 10 CDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000817415407 723758371 /nfs/dbraw/zinc/75/83/71/723758371.db2.gz SHXULNDRJZAMFJ-VIFPVBQESA-N 1 2 286.734 1.895 20 10 CDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000817415407 723758374 /nfs/dbraw/zinc/75/83/74/723758374.db2.gz SHXULNDRJZAMFJ-VIFPVBQESA-N 1 2 286.734 1.895 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000783728460 723761928 /nfs/dbraw/zinc/76/19/28/723761928.db2.gz IPKCEAIRJLJZFO-SNVBAGLBSA-N 1 2 264.325 1.063 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000783728460 723761929 /nfs/dbraw/zinc/76/19/29/723761929.db2.gz IPKCEAIRJLJZFO-SNVBAGLBSA-N 1 2 264.325 1.063 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](CO)O1 ZINC000787418486 723850467 /nfs/dbraw/zinc/85/04/67/723850467.db2.gz WQRMNMXXDLRWFN-NXEZZACHSA-N 1 2 271.744 1.627 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](CO)O1 ZINC000787418486 723850469 /nfs/dbraw/zinc/85/04/69/723850469.db2.gz WQRMNMXXDLRWFN-NXEZZACHSA-N 1 2 271.744 1.627 20 10 CDCDLO CCn1ncc(C[NH2+][C@H](C)c2c(O)cccc2F)n1 ZINC000886642057 724818553 /nfs/dbraw/zinc/81/85/53/724818553.db2.gz ZFGNOCLPBHWFAY-SECBINFHSA-N 1 2 264.304 1.994 20 10 CDCDLO Cc1noc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)n1 ZINC000848506126 724829836 /nfs/dbraw/zinc/82/98/36/724829836.db2.gz UNENAPQUMFBHKX-GFCCVEGCSA-N 1 2 291.307 1.141 20 10 CDCDLO Cc1noc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)n1 ZINC000848506126 724829838 /nfs/dbraw/zinc/82/98/38/724829838.db2.gz UNENAPQUMFBHKX-GFCCVEGCSA-N 1 2 291.307 1.141 20 10 CDCDLO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000854270193 723734489 /nfs/dbraw/zinc/73/44/89/723734489.db2.gz GVRXLZLCPVBMDI-HUUCEWRRSA-N 1 2 298.390 1.906 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840910726 723902985 /nfs/dbraw/zinc/90/29/85/723902985.db2.gz QUQFWNGQUXMEKI-UHFFFAOYSA-N 1 2 250.342 1.666 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840910726 723902988 /nfs/dbraw/zinc/90/29/88/723902988.db2.gz QUQFWNGQUXMEKI-UHFFFAOYSA-N 1 2 250.342 1.666 20 10 CDCDLO CC[C@H]([NH2+]Cc1nnn(C)n1)c1ccc(C)cc1O ZINC000794829672 724316589 /nfs/dbraw/zinc/31/65/89/724316589.db2.gz VUUFLYRZTBZKKV-NSHDSACASA-N 1 2 261.329 1.465 20 10 CDCDLO Cn1c[nH+]cc1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000187044301 725044096 /nfs/dbraw/zinc/04/40/96/725044096.db2.gz PHQFCAVMRJWJRL-UHFFFAOYSA-N 1 2 298.390 1.661 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CC(=O)NCC2(C)C)c1 ZINC000800539134 725263957 /nfs/dbraw/zinc/26/39/57/725263957.db2.gz OOIHPTIWWGSLCU-UHFFFAOYSA-N 1 2 278.352 1.501 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CC(=O)NCC2(C)C)c1 ZINC000800539134 725263962 /nfs/dbraw/zinc/26/39/62/725263962.db2.gz OOIHPTIWWGSLCU-UHFFFAOYSA-N 1 2 278.352 1.501 20 10 CDCDLO COc1c(O)c(C[N@@H+]2CC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000824572528 725708908 /nfs/dbraw/zinc/70/89/08/725708908.db2.gz ZBBNVYFWBGHRLG-VIFPVBQESA-N 1 2 270.260 1.853 20 10 CDCDLO COc1c(O)c(C[N@H+]2CC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000824572528 725708920 /nfs/dbraw/zinc/70/89/20/725708920.db2.gz ZBBNVYFWBGHRLG-VIFPVBQESA-N 1 2 270.260 1.853 20 10 CDCDLO OC[C@]12C[C@H]1C[N@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC000792180836 725957887 /nfs/dbraw/zinc/95/78/87/725957887.db2.gz VHXTZQKAXRPFHV-ISVAXAHUSA-N 1 2 271.719 1.999 20 10 CDCDLO OC[C@]12C[C@H]1C[N@@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC000792180836 725957891 /nfs/dbraw/zinc/95/78/91/725957891.db2.gz VHXTZQKAXRPFHV-ISVAXAHUSA-N 1 2 271.719 1.999 20 10 CDCDLO Cn1c[nH+]cc1CC(=O)NCCCSc1nccs1 ZINC000806851646 725985024 /nfs/dbraw/zinc/98/50/24/725985024.db2.gz VLZHWFSGZSJVFD-UHFFFAOYSA-N 1 2 296.421 1.718 20 10 CDCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC001236794520 916434394 /nfs/dbraw/zinc/43/43/94/916434394.db2.gz SKQHPMZTVPXHSJ-VIFPVBQESA-N 1 2 292.162 1.892 20 10 CDCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC001236794520 916434400 /nfs/dbraw/zinc/43/44/00/916434400.db2.gz SKQHPMZTVPXHSJ-VIFPVBQESA-N 1 2 292.162 1.892 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2cccc(F)c2O)C1 ZINC001138122404 936473200 /nfs/dbraw/zinc/47/32/00/936473200.db2.gz BZPZKBSQEUHYEP-MWLCHTKSSA-N 1 2 257.280 1.684 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138122404 936473202 /nfs/dbraw/zinc/47/32/02/936473202.db2.gz BZPZKBSQEUHYEP-MWLCHTKSSA-N 1 2 257.280 1.684 20 10 CDCDLO Cn1cnc2c1C[N@H+](Cc1cccc(F)c1O)CC2 ZINC001138131331 936476910 /nfs/dbraw/zinc/47/69/10/936476910.db2.gz WQDGRZXNHKYOKV-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Cn1cnc2c1C[N@@H+](Cc1cccc(F)c1O)CC2 ZINC001138131331 936476911 /nfs/dbraw/zinc/47/69/11/936476911.db2.gz WQDGRZXNHKYOKV-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO CN(c1ccc[nH+]c1N)S(=O)(=O)Cc1ccc(N)cc1 ZINC001212398126 919534364 /nfs/dbraw/zinc/53/43/64/919534364.db2.gz HLSVMNYVFAVUGY-UHFFFAOYSA-N 1 2 292.364 1.212 20 10 CDCDLO Oc1c(F)ccc(F)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC001139685389 936635442 /nfs/dbraw/zinc/63/54/42/936635442.db2.gz XUHVDNSVCQOTAY-SNVBAGLBSA-N 1 2 268.307 1.950 20 10 CDCDLO Oc1c(F)ccc(F)c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC001139685389 936635443 /nfs/dbraw/zinc/63/54/43/936635443.db2.gz XUHVDNSVCQOTAY-SNVBAGLBSA-N 1 2 268.307 1.950 20 10 CDCDLO CCN(C)c1cc(NCc2ccc(O)c(O)c2)[nH+]cn1 ZINC001169991050 928862507 /nfs/dbraw/zinc/86/25/07/928862507.db2.gz XCMXNPFIXHCDBR-UHFFFAOYSA-N 1 2 274.324 1.956 20 10 CDCDLO CCN(C)c1cc(NCc2ccc(O)c(O)c2)nc[nH+]1 ZINC001169991050 928862511 /nfs/dbraw/zinc/86/25/11/928862511.db2.gz XCMXNPFIXHCDBR-UHFFFAOYSA-N 1 2 274.324 1.956 20 10 CDCDLO CNc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc[nH+]1 ZINC000316164769 941475142 /nfs/dbraw/zinc/47/51/42/941475142.db2.gz HTQBNNREVPOSNL-UHFFFAOYSA-N 1 2 299.378 1.854 20 10 CDCDLO CNc1cc(N2CCN(c3ccc(OC)cc3)CC2)[nH+]cn1 ZINC000316164769 941475143 /nfs/dbraw/zinc/47/51/43/941475143.db2.gz HTQBNNREVPOSNL-UHFFFAOYSA-N 1 2 299.378 1.854 20 10 CDCDLO O=C(NCCn1cc[nH+]c1)NCc1c(O)cccc1F ZINC001221484935 941538938 /nfs/dbraw/zinc/53/89/38/941538938.db2.gz CUSXMNSHVSZIEG-UHFFFAOYSA-N 1 2 278.287 1.227 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCn2cncc2C1 ZINC001231854212 943031602 /nfs/dbraw/zinc/03/16/02/943031602.db2.gz BXAJYJBJEZXHAQ-UHFFFAOYSA-N 1 2 286.379 1.974 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCn2cncc2C1 ZINC001231854212 943031606 /nfs/dbraw/zinc/03/16/06/943031606.db2.gz BXAJYJBJEZXHAQ-UHFFFAOYSA-N 1 2 286.379 1.974 20 10 CDCDLO COC[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231857861 943032105 /nfs/dbraw/zinc/03/21/05/943032105.db2.gz ONKGEDBSGBTVGK-HNNXBMFYSA-N 1 2 294.395 1.608 20 10 CDCDLO COC[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231857861 943032112 /nfs/dbraw/zinc/03/21/12/943032112.db2.gz ONKGEDBSGBTVGK-HNNXBMFYSA-N 1 2 294.395 1.608 20 10 CDCDLO C[C@]1(CO)C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1O ZINC001231910394 943052278 /nfs/dbraw/zinc/05/22/78/943052278.db2.gz OGWDWQHATOWVSU-GXTWGEPZSA-N 1 2 285.771 1.611 20 10 CDCDLO C[C@]1(CO)C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1O ZINC001231910394 943052288 /nfs/dbraw/zinc/05/22/88/943052288.db2.gz OGWDWQHATOWVSU-GXTWGEPZSA-N 1 2 285.771 1.611 20 10 CDCDLO COc1cc(O)c(C[N@H+](C)Cc2ncccn2)cc1OC ZINC001236751209 944558984 /nfs/dbraw/zinc/55/89/84/944558984.db2.gz QZKKIDOQMUHIDG-UHFFFAOYSA-N 1 2 289.335 1.831 20 10 CDCDLO COc1cc(O)c(C[N@@H+](C)Cc2ncccn2)cc1OC ZINC001236751209 944558986 /nfs/dbraw/zinc/55/89/86/944558986.db2.gz QZKKIDOQMUHIDG-UHFFFAOYSA-N 1 2 289.335 1.831 20 10 CDCDLO C[NH+]1CCN(Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237809374 944960050 /nfs/dbraw/zinc/96/00/50/944960050.db2.gz HQUWKBNTZJDIHA-UHFFFAOYSA-N 1 2 258.724 1.932 20 10 CDCDLO NC(=O)C1C[NH+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237950631 945013786 /nfs/dbraw/zinc/01/37/86/945013786.db2.gz YRKJUBBWRKVMLP-UHFFFAOYSA-N 1 2 258.680 1.102 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)CCc1[nH+]ccn1C ZINC001528024388 968787406 /nfs/dbraw/zinc/78/74/06/968787406.db2.gz POAROOGXIHQJEV-UHFFFAOYSA-N 1 2 273.336 1.717 20 10 CDCDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180227794 357253165 /nfs/dbraw/zinc/25/31/65/357253165.db2.gz QHLRBFSPNFCUBF-LBPRGKRZSA-N 1 2 276.315 1.997 20 10 CDCDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000180227794 357253170 /nfs/dbraw/zinc/25/31/70/357253170.db2.gz QHLRBFSPNFCUBF-LBPRGKRZSA-N 1 2 276.315 1.997 20 10 CDCDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(O)c1O ZINC000187196460 357740449 /nfs/dbraw/zinc/74/04/49/357740449.db2.gz DACFHEKGVUKWDF-UHFFFAOYSA-N 1 2 275.308 1.457 20 10 CDCDLO COCCN(C)CC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187691997 357796109 /nfs/dbraw/zinc/79/61/09/357796109.db2.gz JCSVZWHTTHELJN-SNVBAGLBSA-N 1 2 288.338 1.899 20 10 CDCDLO Nc1ccc(CC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000020185733 358341306 /nfs/dbraw/zinc/34/13/06/358341306.db2.gz UDEVAJZOVZUKAS-UHFFFAOYSA-N 1 2 296.374 1.555 20 10 CDCDLO C[N@H+](CCS(C)(=O)=O)Cc1cccc(Cl)c1O ZINC000124537532 360375831 /nfs/dbraw/zinc/37/58/31/360375831.db2.gz BMMFVAPCJCDYPG-UHFFFAOYSA-N 1 2 277.773 1.522 20 10 CDCDLO C[N@@H+](CCS(C)(=O)=O)Cc1cccc(Cl)c1O ZINC000124537532 360375835 /nfs/dbraw/zinc/37/58/35/360375835.db2.gz BMMFVAPCJCDYPG-UHFFFAOYSA-N 1 2 277.773 1.522 20 10 CDCDLO C[C@H]([NH2+]Cc1nccn1C)c1cc([N+](=O)[O-])ccc1O ZINC000273615731 299324469 /nfs/dbraw/zinc/32/44/69/299324469.db2.gz XGELHTYZBHCUHH-VIFPVBQESA-N 1 2 276.296 1.885 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1COCCN1 ZINC000530181291 368146610 /nfs/dbraw/zinc/14/66/10/368146610.db2.gz LHMTUPBRQKSYEJ-SNVBAGLBSA-N 1 2 256.733 1.124 20 10 CDCDLO O=C(CC[NH2+]Cc1cccc(Cl)c1O)N1CCOCC1 ZINC000135757857 393311156 /nfs/dbraw/zinc/31/11/56/393311156.db2.gz CBVHCBITEJPOHO-UHFFFAOYSA-N 1 2 298.770 1.384 20 10 CDCDLO CC[C@@H](C(N)=O)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866568 521896586 /nfs/dbraw/zinc/89/65/86/521896586.db2.gz FWDRBFMEFAOPMA-ZDUSSCGKSA-N 1 2 295.358 1.220 20 10 CDCDLO C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ncnn1C ZINC000276572014 525658385 /nfs/dbraw/zinc/65/83/85/525658385.db2.gz HGXJXWQHLMQQEX-RKDXNWHRSA-N 1 2 291.311 1.841 20 10 CDCDLO Cn1c[nH+]cc1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000773830908 575840089 /nfs/dbraw/zinc/84/00/89/575840089.db2.gz PKFVKEZAIBAMEZ-HWKANZROSA-N 1 2 287.319 1.203 20 10 CDCDLO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000759173905 577156897 /nfs/dbraw/zinc/15/68/97/577156897.db2.gz RCVNRQWUXDPKBU-OCCSQVGLSA-N 1 2 296.323 1.584 20 10 CDCDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894536531 618954482 /nfs/dbraw/zinc/95/44/82/618954482.db2.gz AFIPUCDRUGJVKE-QWRKXWFKSA-N 1 2 296.317 1.756 20 10 CDCDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894536531 618954486 /nfs/dbraw/zinc/95/44/86/618954486.db2.gz AFIPUCDRUGJVKE-QWRKXWFKSA-N 1 2 296.317 1.756 20 10 CDCDLO CCn1cc(C[NH2+][C@@H](C)c2c(O)cccc2F)nn1 ZINC000886637880 726013549 /nfs/dbraw/zinc/01/35/49/726013549.db2.gz HDJIUJVZCPTSHV-VIFPVBQESA-N 1 2 264.304 1.994 20 10 CDCDLO C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000841299904 726104502 /nfs/dbraw/zinc/10/45/02/726104502.db2.gz JREXHJYHLIPRAN-RYUDHWBXSA-N 1 2 292.383 1.500 20 10 CDCDLO CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000882491767 726225901 /nfs/dbraw/zinc/22/59/01/726225901.db2.gz LIIFRTYDBGIVRF-MRVPVSSYSA-N 1 2 268.288 1.061 20 10 CDCDLO CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000882491767 726225902 /nfs/dbraw/zinc/22/59/02/726225902.db2.gz LIIFRTYDBGIVRF-MRVPVSSYSA-N 1 2 268.288 1.061 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1OC ZINC000708414286 726864553 /nfs/dbraw/zinc/86/45/53/726864553.db2.gz PZMCCLAWNGGLOI-TXEJJXNPSA-N 1 2 273.279 1.516 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1OC ZINC000708414286 726864556 /nfs/dbraw/zinc/86/45/56/726864556.db2.gz PZMCCLAWNGGLOI-TXEJJXNPSA-N 1 2 273.279 1.516 20 10 CDCDLO Oc1ccc(F)cc1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000827118632 726865324 /nfs/dbraw/zinc/86/53/24/726865324.db2.gz DOWVMNKVVXOJNW-CQSZACIVSA-N 1 2 280.343 1.438 20 10 CDCDLO Cc1cccc(O)c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000876541515 726931651 /nfs/dbraw/zinc/93/16/51/726931651.db2.gz FWHYUVUZNCHGII-HNNXBMFYSA-N 1 2 290.407 1.997 20 10 CDCDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000800534874 727169192 /nfs/dbraw/zinc/16/91/92/727169192.db2.gz QGTRWQRXENSUFF-JTQLQIEISA-N 1 2 273.329 1.150 20 10 CDCDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000800534874 727169187 /nfs/dbraw/zinc/16/91/87/727169187.db2.gz QGTRWQRXENSUFF-JTQLQIEISA-N 1 2 273.329 1.150 20 10 CDCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001144299220 931742511 /nfs/dbraw/zinc/74/25/11/931742511.db2.gz SAPSKQRLRGLUGN-MRVPVSSYSA-N 1 2 290.132 1.860 20 10 CDCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001144299220 931742515 /nfs/dbraw/zinc/74/25/15/931742515.db2.gz SAPSKQRLRGLUGN-MRVPVSSYSA-N 1 2 290.132 1.860 20 10 CDCDLO COc1ccc(C[N@H+](C)Cc2ncccn2)c(O)c1 ZINC001203620683 919677270 /nfs/dbraw/zinc/67/72/70/919677270.db2.gz HCQBXXUXWQIBKD-UHFFFAOYSA-N 1 2 259.309 1.823 20 10 CDCDLO COc1ccc(C[N@@H+](C)Cc2ncccn2)c(O)c1 ZINC001203620683 919677275 /nfs/dbraw/zinc/67/72/75/919677275.db2.gz HCQBXXUXWQIBKD-UHFFFAOYSA-N 1 2 259.309 1.823 20 10 CDCDLO Oc1c(F)ccc(F)c1CN1CC[NH+]2CCC1CC2 ZINC001139686433 936635764 /nfs/dbraw/zinc/63/57/64/936635764.db2.gz ZJYHUOOFLKNQDT-UHFFFAOYSA-N 1 2 268.307 1.950 20 10 CDCDLO Oc1cc(F)cc(F)c1C[NH+]1CC(C2COC2)C1 ZINC001140580348 936726998 /nfs/dbraw/zinc/72/69/98/936726998.db2.gz YSDXYQDEVPQDHM-UHFFFAOYSA-N 1 2 255.264 1.749 20 10 CDCDLO OC[C@]1(F)CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508717 937024828 /nfs/dbraw/zinc/02/48/28/937024828.db2.gz IZHIZADVXXNHSQ-LBPRGKRZSA-N 1 2 261.243 1.577 20 10 CDCDLO OC[C@]1(F)CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508717 937024831 /nfs/dbraw/zinc/02/48/31/937024831.db2.gz IZHIZADVXXNHSQ-LBPRGKRZSA-N 1 2 261.243 1.577 20 10 CDCDLO COCC1(O)C[NH+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001118577210 937643072 /nfs/dbraw/zinc/64/30/72/937643072.db2.gz BXDAPBIPJUVDNN-UHFFFAOYSA-N 1 2 271.744 1.547 20 10 CDCDLO NC(=O)c1cc2c([nH]1)C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001278255263 945216111 /nfs/dbraw/zinc/21/61/11/945216111.db2.gz RGQKQTUZXXXVEZ-UHFFFAOYSA-N 1 2 289.310 1.517 20 10 CDCDLO NC(=O)c1cc2c([nH]1)C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC001278255263 945216116 /nfs/dbraw/zinc/21/61/16/945216116.db2.gz RGQKQTUZXXXVEZ-UHFFFAOYSA-N 1 2 289.310 1.517 20 10 CDCDLO C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001205190941 939833555 /nfs/dbraw/zinc/83/35/55/939833555.db2.gz SIEXLABLWAMBON-LDYMZIIASA-N 1 2 250.298 1.012 20 10 CDCDLO C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001205190941 939833557 /nfs/dbraw/zinc/83/35/57/939833557.db2.gz SIEXLABLWAMBON-LDYMZIIASA-N 1 2 250.298 1.012 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260424 943192531 /nfs/dbraw/zinc/19/25/31/943192531.db2.gz QADPWNFGSQMMMI-SCZZXKLOSA-N 1 2 289.734 1.904 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260424 943192537 /nfs/dbraw/zinc/19/25/37/943192537.db2.gz QADPWNFGSQMMMI-SCZZXKLOSA-N 1 2 289.734 1.904 20 10 CDCDLO CCOC(=O)C1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014419 943463697 /nfs/dbraw/zinc/46/36/97/943463697.db2.gz UDRJTSMIDZFXOS-UHFFFAOYSA-N 1 2 295.335 1.579 20 10 CDCDLO Cc1cc(Br)c(O)c(C[NH+]2CC(C(N)=O)C2)c1 ZINC001236668490 944541642 /nfs/dbraw/zinc/54/16/42/944541642.db2.gz FGMAJKLLRQSVRR-UHFFFAOYSA-N 1 2 299.168 1.380 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@@H](F)CC2)cc1OC ZINC001236750288 944558086 /nfs/dbraw/zinc/55/80/86/944558086.db2.gz QRINDPSMXJCDNW-NSHDSACASA-N 1 2 297.326 1.912 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@@H](F)CC2)cc1OC ZINC001236750288 944558092 /nfs/dbraw/zinc/55/80/92/944558092.db2.gz QRINDPSMXJCDNW-NSHDSACASA-N 1 2 297.326 1.912 20 10 CDCDLO OC[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C[C@@H]1O ZINC001237933597 945007500 /nfs/dbraw/zinc/00/75/00/945007500.db2.gz DORMZNVDLNOWNF-OQPBUACISA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C[C@@H]1O ZINC001237933597 945007508 /nfs/dbraw/zinc/00/75/08/945007508.db2.gz DORMZNVDLNOWNF-OQPBUACISA-N 1 2 289.734 1.360 20 10 CDCDLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC001331994778 957388614 /nfs/dbraw/zinc/38/86/14/957388614.db2.gz PSLKWENRXGKUSQ-UHFFFAOYSA-N 1 2 293.273 1.724 20 10 CDCDLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1cc(F)cc(F)c1O)C2 ZINC001331994778 957388624 /nfs/dbraw/zinc/38/86/24/957388624.db2.gz PSLKWENRXGKUSQ-UHFFFAOYSA-N 1 2 293.273 1.724 20 10 CDCDLO COc1cccc(CNC(=O)[C@H](C)n2cc[nH+]c2)c1O ZINC001338652169 961929033 /nfs/dbraw/zinc/92/90/33/961929033.db2.gz YOPBQODQTYCXGT-JTQLQIEISA-N 1 2 275.308 1.475 20 10 CDCDLO COC(=O)NC1C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001344568844 964363142 /nfs/dbraw/zinc/36/31/42/964363142.db2.gz PEFUJCFZQACGDH-UHFFFAOYSA-N 1 2 289.379 1.827 20 10 CDCDLO Cn1cc[nH+]c1CCC(=O)NCCc1ccc(O)c(O)c1 ZINC001528036334 968790994 /nfs/dbraw/zinc/79/09/94/968790994.db2.gz GCHVDUDCNBHRSF-UHFFFAOYSA-N 1 2 289.335 1.123 20 10 CDCDLO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(F)c(F)c1O ZINC000187806415 357809355 /nfs/dbraw/zinc/80/93/55/357809355.db2.gz XVKNDOSEEISYEW-AMIZOPFISA-N 1 2 273.279 1.472 20 10 CDCDLO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(F)c(F)c1O ZINC000294522048 199071639 /nfs/dbraw/zinc/07/16/39/199071639.db2.gz ZHQQZJIXDFANPW-BBBLOLIVSA-N 1 2 287.306 1.861 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](C(N)=O)O1 ZINC000271247948 364977530 /nfs/dbraw/zinc/97/75/30/364977530.db2.gz CWJKXSRKSXVVSN-PRHODGIISA-N 1 2 284.743 1.120 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](C(N)=O)O1 ZINC000271247948 364977532 /nfs/dbraw/zinc/97/75/32/364977532.db2.gz CWJKXSRKSXVVSN-PRHODGIISA-N 1 2 284.743 1.120 20 10 CDCDLO C[N@H+](Cc1cccc(Cl)c1O)CC(C)(CO)CO ZINC000271772826 364997802 /nfs/dbraw/zinc/99/78/02/364997802.db2.gz GQCCCUPTJPCZDC-UHFFFAOYSA-N 1 2 273.760 1.468 20 10 CDCDLO C[N@@H+](Cc1cccc(Cl)c1O)CC(C)(CO)CO ZINC000271772826 364997806 /nfs/dbraw/zinc/99/78/06/364997806.db2.gz GQCCCUPTJPCZDC-UHFFFAOYSA-N 1 2 273.760 1.468 20 10 CDCDLO COC[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)OC ZINC000273423952 365494877 /nfs/dbraw/zinc/49/48/77/365494877.db2.gz JWWCMUKNBGIESB-GXSJLCMTSA-N 1 2 284.312 1.612 20 10 CDCDLO CN(C)c1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000287261571 369141560 /nfs/dbraw/zinc/14/15/60/369141560.db2.gz UNSRKZICUOKOKY-UHFFFAOYSA-N 1 2 272.352 1.725 20 10 CDCDLO NC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000183468151 391265761 /nfs/dbraw/zinc/26/57/61/391265761.db2.gz JZGXULPZXTZRFA-UHFFFAOYSA-N 1 2 268.744 1.743 20 10 CDCDLO CC[N@H+](CC(=O)OC)Cc1cccc(OC)c1O ZINC000271145178 391288709 /nfs/dbraw/zinc/28/87/09/391288709.db2.gz HNDCEELKLMJXRZ-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO CC[N@@H+](CC(=O)OC)Cc1cccc(OC)c1O ZINC000271145178 391288714 /nfs/dbraw/zinc/28/87/14/391288714.db2.gz HNDCEELKLMJXRZ-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ncon1)OCO2 ZINC000360156389 391643247 /nfs/dbraw/zinc/64/32/47/391643247.db2.gz CTJWWQSVXCKUMW-SNVBAGLBSA-N 1 2 289.291 1.841 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ncon1)OCO2 ZINC000360156389 391643250 /nfs/dbraw/zinc/64/32/50/391643250.db2.gz CTJWWQSVXCKUMW-SNVBAGLBSA-N 1 2 289.291 1.841 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000131220038 281033860 /nfs/dbraw/zinc/03/38/60/281033860.db2.gz QDAMCNHJFLLSNL-ZDUSSCGKSA-N 1 2 279.359 1.602 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000131220038 281033862 /nfs/dbraw/zinc/03/38/62/281033862.db2.gz QDAMCNHJFLLSNL-ZDUSSCGKSA-N 1 2 279.359 1.602 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1c(O)cccc1OC ZINC000769320120 575345307 /nfs/dbraw/zinc/34/53/07/575345307.db2.gz IFYLLHWOHXEDET-NSHDSACASA-N 1 2 264.325 1.111 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1c(O)cccc1OC ZINC000769320120 575345309 /nfs/dbraw/zinc/34/53/09/575345309.db2.gz IFYLLHWOHXEDET-NSHDSACASA-N 1 2 264.325 1.111 20 10 CDCDLO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000769525333 575356347 /nfs/dbraw/zinc/35/63/47/575356347.db2.gz TWJANHSPLIQKLY-LBPRGKRZSA-N 1 2 288.351 1.866 20 10 CDCDLO COc1cccc(O)c1C[N@H+]1CCC[C@H]1c1nncn1C ZINC000769525333 575356350 /nfs/dbraw/zinc/35/63/50/575356350.db2.gz TWJANHSPLIQKLY-LBPRGKRZSA-N 1 2 288.351 1.866 20 10 CDCDLO OCC[C@H]1CSCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894088307 618372970 /nfs/dbraw/zinc/37/29/70/618372970.db2.gz KQJJYXPOSIMDPA-NSHDSACASA-N 1 2 289.347 1.970 20 10 CDCDLO OCC[C@H]1CSCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894088307 618372976 /nfs/dbraw/zinc/37/29/76/618372976.db2.gz KQJJYXPOSIMDPA-NSHDSACASA-N 1 2 289.347 1.970 20 10 CDCDLO Cn1cnnc1C[NH2+]Cc1cccc(Br)c1O ZINC000042412544 623943804 /nfs/dbraw/zinc/94/38/04/623943804.db2.gz KMDLVZLSXICJDZ-UHFFFAOYSA-N 1 2 297.156 1.573 20 10 CDCDLO Nc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000911661522 629381745 /nfs/dbraw/zinc/38/17/45/629381745.db2.gz WEQZXBHIOSYDDA-JTQLQIEISA-N 1 2 256.309 1.666 20 10 CDCDLO Nc1cc(COC(=O)/C=C/c2ccc(O)c(O)c2)cc[nH+]1 ZINC000792042318 728932580 /nfs/dbraw/zinc/93/25/80/728932580.db2.gz SHDRWJCDGTWLTF-DUXPYHPUSA-N 1 2 286.287 1.832 20 10 CDCDLO CCN(CCO)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883089873 728445686 /nfs/dbraw/zinc/44/56/86/728445686.db2.gz WHLLJOOWJLUZDA-UHFFFAOYSA-N 1 2 274.311 1.074 20 10 CDCDLO C[N@H+](C[C@H]1CCCS(=O)(=O)C1)c1ccc(N)cc1 ZINC000863558401 729306253 /nfs/dbraw/zinc/30/62/53/729306253.db2.gz HDSDOLYFHVBDIO-LLVKDONJSA-N 1 2 268.382 1.530 20 10 CDCDLO C[N@@H+](C[C@H]1CCCS(=O)(=O)C1)c1ccc(N)cc1 ZINC000863558401 729306255 /nfs/dbraw/zinc/30/62/55/729306255.db2.gz HDSDOLYFHVBDIO-LLVKDONJSA-N 1 2 268.382 1.530 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000883090733 729359061 /nfs/dbraw/zinc/35/90/61/729359061.db2.gz TVPCNADNGVHHJE-UHFFFAOYSA-N 1 2 295.293 1.357 20 10 CDCDLO CCOC(=O)C[N@H+](CCC(=O)OC)Cc1ccccc1O ZINC000823581642 729386469 /nfs/dbraw/zinc/38/64/69/729386469.db2.gz NGYJOSIAXQZOTB-UHFFFAOYSA-N 1 2 295.335 1.320 20 10 CDCDLO CCOC(=O)C[N@@H+](CCC(=O)OC)Cc1ccccc1O ZINC000823581642 729386470 /nfs/dbraw/zinc/38/64/70/729386470.db2.gz NGYJOSIAXQZOTB-UHFFFAOYSA-N 1 2 295.335 1.320 20 10 CDCDLO CCc1cccc(CN2CC[NH+](CCO)CC2)c1O ZINC000848877908 729985362 /nfs/dbraw/zinc/98/53/62/729985362.db2.gz WQLXEQAWHCPDHO-UHFFFAOYSA-N 1 2 264.369 1.065 20 10 CDCDLO CC(C)N1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CC1=O ZINC000883016457 730347349 /nfs/dbraw/zinc/34/73/49/730347349.db2.gz ZTTZHJVAPSHCPN-NSHDSACASA-N 1 2 284.306 1.769 20 10 CDCDLO CN1CC[C@]2(CC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001272616651 914180403 /nfs/dbraw/zinc/18/04/03/914180403.db2.gz NBRDKIDIAYNSBA-OAHLLOKOSA-N 1 2 296.317 1.725 20 10 CDCDLO CN1CC[C@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001272616651 914180415 /nfs/dbraw/zinc/18/04/15/914180415.db2.gz NBRDKIDIAYNSBA-OAHLLOKOSA-N 1 2 296.317 1.725 20 10 CDCDLO OC[C@H]1C[C@H](F)C[N@H+](Cc2cccc(F)c2O)C1 ZINC001138122405 936473645 /nfs/dbraw/zinc/47/36/45/936473645.db2.gz BZPZKBSQEUHYEP-ONGXEEELSA-N 1 2 257.280 1.684 20 10 CDCDLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138122405 936473646 /nfs/dbraw/zinc/47/36/46/936473646.db2.gz BZPZKBSQEUHYEP-ONGXEEELSA-N 1 2 257.280 1.684 20 10 CDCDLO COC(=O)CC1C[NH+](Cc2cccc(F)c2O)C1 ZINC001138127922 936474371 /nfs/dbraw/zinc/47/43/71/936474371.db2.gz VZIWIBYCQGGOBK-UHFFFAOYSA-N 1 2 253.273 1.526 20 10 CDCDLO Oc1ccc(Br)cc1C[NH+]1CC2(COC2)C1 ZINC001203635915 919980378 /nfs/dbraw/zinc/98/03/78/919980378.db2.gz LAILJFQLWSJXCO-UHFFFAOYSA-N 1 2 284.153 1.987 20 10 CDCDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001141157031 936821684 /nfs/dbraw/zinc/82/16/84/936821684.db2.gz ASJODVMVFGXFNT-XHDPSFHLSA-N 1 2 277.320 1.625 20 10 CDCDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(O)ccc1O ZINC001141157031 936821687 /nfs/dbraw/zinc/82/16/87/936821687.db2.gz ASJODVMVFGXFNT-XHDPSFHLSA-N 1 2 277.320 1.625 20 10 CDCDLO O=C(C1CC1)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159173 936822024 /nfs/dbraw/zinc/82/20/24/936822024.db2.gz BADNLZYUTJGHIP-UHFFFAOYSA-N 1 2 276.336 1.152 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142508644 937024640 /nfs/dbraw/zinc/02/46/40/937024640.db2.gz GNUONZOUHDXNBH-IUCAKERBSA-N 1 2 261.243 1.575 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142508644 937024643 /nfs/dbraw/zinc/02/46/43/937024643.db2.gz GNUONZOUHDXNBH-IUCAKERBSA-N 1 2 261.243 1.575 20 10 CDCDLO C[C@@]1(O)COCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508911 937024912 /nfs/dbraw/zinc/02/49/12/937024912.db2.gz PPBBAQXKUDSHRI-ZDUSSCGKSA-N 1 2 273.279 1.254 20 10 CDCDLO C[NH+]1CC2(C1)CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142531248 937028586 /nfs/dbraw/zinc/02/85/86/937028586.db2.gz PXDKMSQAJQHPMA-UHFFFAOYSA-N 1 2 268.307 1.808 20 10 CDCDLO CN1CC2(C1)CC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142531248 937028587 /nfs/dbraw/zinc/02/85/87/937028587.db2.gz PXDKMSQAJQHPMA-UHFFFAOYSA-N 1 2 268.307 1.808 20 10 CDCDLO CN1CC2(C1)CC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142531248 937028589 /nfs/dbraw/zinc/02/85/89/937028589.db2.gz PXDKMSQAJQHPMA-UHFFFAOYSA-N 1 2 268.307 1.808 20 10 CDCDLO C[C@H](C(=O)NCCc1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC001116430568 937448246 /nfs/dbraw/zinc/44/82/46/937448246.db2.gz DSHOHVJBJFUJLE-SNVBAGLBSA-N 1 2 275.308 1.214 20 10 CDCDLO O=C1C[N@H+](Cc2c(O)cc(O)cc2O)CCC[C@H]1F ZINC001144500600 931859628 /nfs/dbraw/zinc/85/96/28/931859628.db2.gz WKCCJGGPOMAGCU-SNVBAGLBSA-N 1 2 269.272 1.306 20 10 CDCDLO O=C1C[N@@H+](Cc2c(O)cc(O)cc2O)CCC[C@H]1F ZINC001144500600 931859632 /nfs/dbraw/zinc/85/96/32/931859632.db2.gz WKCCJGGPOMAGCU-SNVBAGLBSA-N 1 2 269.272 1.306 20 10 CDCDLO C[N@H+]1C[C@H]2CN(Cc3c(O)cccc3F)C[C@@H](C1)O2 ZINC001276354560 935042424 /nfs/dbraw/zinc/04/24/24/935042424.db2.gz XLSGRYLVFKKFKJ-PHIMTYICSA-N 1 2 266.316 1.046 20 10 CDCDLO C[N@@H+]1C[C@H]2CN(Cc3c(O)cccc3F)C[C@@H](C1)O2 ZINC001276354560 935042431 /nfs/dbraw/zinc/04/24/31/935042431.db2.gz XLSGRYLVFKKFKJ-PHIMTYICSA-N 1 2 266.316 1.046 20 10 CDCDLO CCc1[nH]c(CNC(=O)c2ccc(C)c(O)c2O)c[nH+]1 ZINC001156538036 938380870 /nfs/dbraw/zinc/38/08/70/938380870.db2.gz IECWGJNCPCPDFK-UHFFFAOYSA-N 1 2 275.308 1.622 20 10 CDCDLO CCc1[nH]cc(CNC(=O)c2ccc(C)c(O)c2O)[nH+]1 ZINC001156538036 938380872 /nfs/dbraw/zinc/38/08/72/938380872.db2.gz IECWGJNCPCPDFK-UHFFFAOYSA-N 1 2 275.308 1.622 20 10 CDCDLO Cc1nc(-n2cncn2)cc(NCc2ccc(N)cc2)[nH+]1 ZINC001162788129 939138433 /nfs/dbraw/zinc/13/84/33/939138433.db2.gz ZSIRNSXERSOURX-UHFFFAOYSA-N 1 2 281.323 1.560 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](C(C)=O)C2)c1 ZINC001203684211 939700793 /nfs/dbraw/zinc/70/07/93/939700793.db2.gz OPCWDSRVXGWSHE-CQSZACIVSA-N 1 2 265.309 1.191 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CCO[C@@H](C(C)=O)C2)c1 ZINC001203684211 939700795 /nfs/dbraw/zinc/70/07/95/939700795.db2.gz OPCWDSRVXGWSHE-CQSZACIVSA-N 1 2 265.309 1.191 20 10 CDCDLO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)cc(O)c1O ZINC001204344701 939758693 /nfs/dbraw/zinc/75/86/93/939758693.db2.gz XGFGNSMLCMIZOS-SCZZXKLOSA-N 1 2 255.289 1.896 20 10 CDCDLO COc1cc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)cc(O)c1O ZINC001204344701 939758695 /nfs/dbraw/zinc/75/86/95/939758695.db2.gz XGFGNSMLCMIZOS-SCZZXKLOSA-N 1 2 255.289 1.896 20 10 CDCDLO [NH3+][C@@H]1C[C@H](F)CN(Cc2c(F)ccc(F)c2O)C1 ZINC001206422087 940035341 /nfs/dbraw/zinc/03/53/41/940035341.db2.gz BAGDFYFMQMBMFH-JGVFFNPUSA-N 1 2 260.259 1.542 20 10 CDCDLO C[N@@H+]1CCC2(CN(Cc3ccc(F)c(F)c3O)C2)C1 ZINC001276856505 941649955 /nfs/dbraw/zinc/64/99/55/941649955.db2.gz BEPFXBBJDDNOPX-UHFFFAOYSA-N 1 2 268.307 1.808 20 10 CDCDLO C[N@H+]1CCC2(CN(Cc3ccc(F)c(F)c3O)C2)C1 ZINC001276856505 941649957 /nfs/dbraw/zinc/64/99/57/941649957.db2.gz BEPFXBBJDDNOPX-UHFFFAOYSA-N 1 2 268.307 1.808 20 10 CDCDLO CN(C)C(=O)[C@H]1CC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277485091 942779381 /nfs/dbraw/zinc/77/93/81/942779381.db2.gz XTCFCHPKKZUXGD-LLVKDONJSA-N 1 2 278.327 1.441 20 10 CDCDLO C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC001233076816 943485452 /nfs/dbraw/zinc/48/54/52/943485452.db2.gz VMVXUOPKNULJHK-KCJUWKMLSA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC001233076816 943485454 /nfs/dbraw/zinc/48/54/54/943485454.db2.gz VMVXUOPKNULJHK-KCJUWKMLSA-N 1 2 257.280 1.873 20 10 CDCDLO COc1ccc(C[NH+]2CC(CO)C2)c(O)c1Cl ZINC001236811057 944576679 /nfs/dbraw/zinc/57/66/79/944576679.db2.gz GAWRTGKKHDUIIM-UHFFFAOYSA-N 1 2 257.717 1.478 20 10 CDCDLO COc1cccc(O)c1CN1CCn2c[nH+]cc2C1 ZINC001323979391 961084545 /nfs/dbraw/zinc/08/45/45/961084545.db2.gz SGHOJJAVMXIZAE-UHFFFAOYSA-N 1 2 259.309 1.613 20 10 CDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000188613610 357917075 /nfs/dbraw/zinc/91/70/75/357917075.db2.gz UREQYHPJCYFKLL-ONGXEEELSA-N 1 2 285.727 1.154 20 10 CDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000188613610 357917077 /nfs/dbraw/zinc/91/70/77/357917077.db2.gz UREQYHPJCYFKLL-ONGXEEELSA-N 1 2 285.727 1.154 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000123532387 360294655 /nfs/dbraw/zinc/29/46/55/360294655.db2.gz BYDSAYSXYGIZKO-ZDUSSCGKSA-N 1 2 275.396 1.853 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000123532387 360294659 /nfs/dbraw/zinc/29/46/59/360294659.db2.gz BYDSAYSXYGIZKO-ZDUSSCGKSA-N 1 2 275.396 1.853 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1cccc(OC)c1O ZINC000271157778 364951403 /nfs/dbraw/zinc/95/14/03/364951403.db2.gz CCHLCADCIAMNNC-UHFFFAOYSA-N 1 2 283.324 1.022 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1cccc(OC)c1O ZINC000271157778 364951408 /nfs/dbraw/zinc/95/14/08/364951408.db2.gz CCHLCADCIAMNNC-UHFFFAOYSA-N 1 2 283.324 1.022 20 10 CDCDLO CCOC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000529664836 368087000 /nfs/dbraw/zinc/08/70/00/368087000.db2.gz FEGKGBOMKMPZDP-GFCCVEGCSA-N 1 2 295.335 1.358 20 10 CDCDLO CCOC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000529664836 368087004 /nfs/dbraw/zinc/08/70/04/368087004.db2.gz FEGKGBOMKMPZDP-GFCCVEGCSA-N 1 2 295.335 1.358 20 10 CDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000188787885 284201168 /nfs/dbraw/zinc/20/11/68/284201168.db2.gz YPGUNYQQPGBQBA-STQMWFEESA-N 1 2 283.299 1.030 20 10 CDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000188787885 284201171 /nfs/dbraw/zinc/20/11/71/284201171.db2.gz YPGUNYQQPGBQBA-STQMWFEESA-N 1 2 283.299 1.030 20 10 CDCDLO C[C@H]1[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCS1(=O)=O ZINC000293959268 371350870 /nfs/dbraw/zinc/35/08/70/371350870.db2.gz PTYRKNUKHZZPBI-KWQFWETISA-N 1 2 289.784 1.711 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC000184674715 262025587 /nfs/dbraw/zinc/02/55/87/262025587.db2.gz QFXUGTYDFAKLKX-LLVKDONJSA-N 1 2 298.770 1.894 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC000184674715 262025592 /nfs/dbraw/zinc/02/55/92/262025592.db2.gz QFXUGTYDFAKLKX-LLVKDONJSA-N 1 2 298.770 1.894 20 10 CDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CC[C@H](C)C1 ZINC001170091308 1162060069 /nfs/dbraw/zinc/06/00/69/1162060069.db2.gz FRESPZIXLHOIDA-UHTWSYAYSA-N 1 2 293.363 1.960 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000278923256 522180232 /nfs/dbraw/zinc/18/02/32/522180232.db2.gz VEQXOKGLKNEVPU-CYBMUJFWSA-N 1 2 279.409 1.155 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000278923256 522180239 /nfs/dbraw/zinc/18/02/39/522180239.db2.gz VEQXOKGLKNEVPU-CYBMUJFWSA-N 1 2 279.409 1.155 20 10 CDCDLO OC[C@H](C[NH2+]Cc1cccc(Cl)c1O)[C@@H]1CCOC1 ZINC000280793319 527607168 /nfs/dbraw/zinc/60/71/68/527607168.db2.gz HQNPIQHTYVEJLB-NEPJUHHUSA-N 1 2 285.771 1.780 20 10 CDCDLO CNC(=S)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726493831 574499832 /nfs/dbraw/zinc/49/98/32/574499832.db2.gz OBIYTNXNZGPURD-UHFFFAOYSA-N 1 2 279.409 1.758 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CCN(CC)C(=O)C2)cc1 ZINC000773847628 575840981 /nfs/dbraw/zinc/84/09/81/575840981.db2.gz OPVZRKGRTRFZCB-UHFFFAOYSA-N 1 2 275.396 1.807 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CCN(CC)C(=O)C2)cc1 ZINC000773847628 575840982 /nfs/dbraw/zinc/84/09/82/575840982.db2.gz OPVZRKGRTRFZCB-UHFFFAOYSA-N 1 2 275.396 1.807 20 10 CDCDLO COc1cccc(O)c1C[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000769416633 576352843 /nfs/dbraw/zinc/35/28/43/576352843.db2.gz JYMPIAIOLJPDAM-SNVBAGLBSA-N 1 2 287.381 1.266 20 10 CDCDLO COc1cccc(O)c1C[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000769416633 576352844 /nfs/dbraw/zinc/35/28/44/576352844.db2.gz JYMPIAIOLJPDAM-SNVBAGLBSA-N 1 2 287.381 1.266 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCN(C)C(=O)C2)c(O)c1 ZINC000769446558 576354736 /nfs/dbraw/zinc/35/47/36/576354736.db2.gz RLUBIFXRHIPGGR-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCN(C)C(=O)C2)c(O)c1 ZINC000769446558 576354737 /nfs/dbraw/zinc/35/47/37/576354737.db2.gz RLUBIFXRHIPGGR-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000769467259 576356515 /nfs/dbraw/zinc/35/65/15/576356515.db2.gz OGPJRRLQFUSMSA-ZDUSSCGKSA-N 1 2 299.754 1.810 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000769467259 576356516 /nfs/dbraw/zinc/35/65/16/576356516.db2.gz OGPJRRLQFUSMSA-ZDUSSCGKSA-N 1 2 299.754 1.810 20 10 CDCDLO CC[N@@H+]1CCN(C(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC000754516854 576899611 /nfs/dbraw/zinc/89/96/11/576899611.db2.gz YUCFBXMXBVWAFD-VIFPVBQESA-N 1 2 254.355 1.620 20 10 CDCDLO CC[N@H+]1CCN(C(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC000754516854 576899612 /nfs/dbraw/zinc/89/96/12/576899612.db2.gz YUCFBXMXBVWAFD-VIFPVBQESA-N 1 2 254.355 1.620 20 10 CDCDLO CCN1CC[N@H+](Cc2cc(OC)c(C)cc2O)CC1=O ZINC000758264208 577092800 /nfs/dbraw/zinc/09/28/00/577092800.db2.gz HBQDVBCJVBVLLW-UHFFFAOYSA-N 1 2 278.352 1.373 20 10 CDCDLO CCN1CC[N@@H+](Cc2cc(OC)c(C)cc2O)CC1=O ZINC000758264208 577092803 /nfs/dbraw/zinc/09/28/03/577092803.db2.gz HBQDVBCJVBVLLW-UHFFFAOYSA-N 1 2 278.352 1.373 20 10 CDCDLO COc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)c(O)c1OC ZINC000894887520 619123343 /nfs/dbraw/zinc/12/33/43/619123343.db2.gz IABCRPOHAZRJDZ-NSHDSACASA-N 1 2 285.315 1.580 20 10 CDCDLO COc1ccc(C[N@H+]2CCO[C@@H](CF)C2)c(O)c1OC ZINC000894887520 619123344 /nfs/dbraw/zinc/12/33/44/619123344.db2.gz IABCRPOHAZRJDZ-NSHDSACASA-N 1 2 285.315 1.580 20 10 CDCDLO CON(C)C(=O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895041145 619218525 /nfs/dbraw/zinc/21/85/25/619218525.db2.gz SWLWSNPSDSTMJN-UHFFFAOYSA-N 1 2 276.695 1.294 20 10 CDCDLO [NH3+][C@@H]1CN(Cc2ccc(O)cc2O)CCC1(F)F ZINC001206655293 1167172880 /nfs/dbraw/zinc/17/28/80/1167172880.db2.gz GQJKEJKZHGPVMA-LLVKDONJSA-N 1 2 258.268 1.266 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816889316 730719745 /nfs/dbraw/zinc/71/97/45/730719745.db2.gz UFJVAAXAYIHUFY-CYBMUJFWSA-N 1 2 285.347 1.810 20 10 CDCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000847589411 730847956 /nfs/dbraw/zinc/84/79/56/730847956.db2.gz JBOZUVVZRJAJNV-JTQLQIEISA-N 1 2 289.335 1.358 20 10 CDCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000847589411 730847962 /nfs/dbraw/zinc/84/79/62/730847962.db2.gz JBOZUVVZRJAJNV-JTQLQIEISA-N 1 2 289.335 1.358 20 10 CDCDLO O=C(/C=C/c1ccc(O)c(O)c1)NCCc1[nH]cc[nH+]1 ZINC000779514849 731000078 /nfs/dbraw/zinc/00/00/78/731000078.db2.gz OIJFJUWEAHCICH-DUXPYHPUSA-N 1 2 273.292 1.193 20 10 CDCDLO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)C2 ZINC000848926725 731087007 /nfs/dbraw/zinc/08/70/07/731087007.db2.gz XFKLBUHUNVIOPZ-SNVBAGLBSA-N 1 2 292.770 1.821 20 10 CDCDLO O=C(NCCCCn1cc[nH+]c1)c1cccc(O)c1O ZINC000126363612 731902280 /nfs/dbraw/zinc/90/22/80/731902280.db2.gz LXWSZKPESQWDND-UHFFFAOYSA-N 1 2 275.308 1.505 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCN1CCC1 ZINC000776253031 732737019 /nfs/dbraw/zinc/73/70/19/732737019.db2.gz KSWRJTQUPCQCLQ-UHFFFAOYSA-N 1 2 258.724 1.980 20 10 CDCDLO O=C1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CN1CC1CC1 ZINC000883402247 732741451 /nfs/dbraw/zinc/74/14/51/732741451.db2.gz LZWQXSNJNTUFIG-LBPRGKRZSA-N 1 2 296.317 1.771 20 10 CDCDLO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1c(O)cccc1F ZINC000886557301 732873384 /nfs/dbraw/zinc/87/33/84/732873384.db2.gz XWQBVCQPTIUQOZ-BXKDBHETSA-N 1 2 279.315 1.649 20 10 CDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nccn2C)cc1 ZINC000844399908 733093625 /nfs/dbraw/zinc/09/36/25/733093625.db2.gz SBVSLCFEUOJDDQ-UHFFFAOYSA-N 1 2 288.395 1.997 20 10 CDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nccn2C)cc1 ZINC000844399908 733093630 /nfs/dbraw/zinc/09/36/30/733093630.db2.gz SBVSLCFEUOJDDQ-UHFFFAOYSA-N 1 2 288.395 1.997 20 10 CDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281121415 733140031 /nfs/dbraw/zinc/14/00/31/733140031.db2.gz IDLZDRGMMFLHAP-SNVBAGLBSA-N 1 2 289.335 1.501 20 10 CDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281121415 733140036 /nfs/dbraw/zinc/14/00/36/733140036.db2.gz IDLZDRGMMFLHAP-SNVBAGLBSA-N 1 2 289.335 1.501 20 10 CDCDLO O=C1OC[C@H]2C[N@H+](Cc3ccc(Cl)cc3O)CCN12 ZINC001140464850 896202798 /nfs/dbraw/zinc/20/27/98/896202798.db2.gz CKUUYPGAYLYIMM-LLVKDONJSA-N 1 2 282.727 1.682 20 10 CDCDLO O=C1OC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3O)CCN12 ZINC001140464850 896202810 /nfs/dbraw/zinc/20/28/10/896202810.db2.gz CKUUYPGAYLYIMM-LLVKDONJSA-N 1 2 282.727 1.682 20 10 CDCDLO C[C@@H]1CN(C2C[NH+](Cc3c(O)cccc3F)C2)C[C@H](C)O1 ZINC001137841443 936420229 /nfs/dbraw/zinc/42/02/29/936420229.db2.gz FDFKGWLZPRTNPB-TXEJJXNPSA-N 1 2 294.370 1.825 20 10 CDCDLO COc1ccc(O)c([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000830540852 936463031 /nfs/dbraw/zinc/46/30/31/936463031.db2.gz OODAQPSRXNRAOY-SECBINFHSA-N 1 2 275.308 1.544 20 10 CDCDLO COC[C@@H]1COCC[N@@H+]1Cc1cccc(F)c1O ZINC001138129789 936476156 /nfs/dbraw/zinc/47/61/56/936476156.db2.gz WQWKMUZTSREKTD-LLVKDONJSA-N 1 2 255.289 1.379 20 10 CDCDLO COC[C@@H]1COCC[N@H+]1Cc1cccc(F)c1O ZINC001138129789 936476158 /nfs/dbraw/zinc/47/61/58/936476158.db2.gz WQWKMUZTSREKTD-LLVKDONJSA-N 1 2 255.289 1.379 20 10 CDCDLO CC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138358812 936525855 /nfs/dbraw/zinc/52/58/55/936525855.db2.gz CEMSWXWSLDNCKG-QGZVFWFLSA-N 1 2 288.391 1.859 20 10 CDCDLO CC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138358812 936525857 /nfs/dbraw/zinc/52/58/57/936525857.db2.gz CEMSWXWSLDNCKG-QGZVFWFLSA-N 1 2 288.391 1.859 20 10 CDCDLO CS(=O)(=O)N(c1ccc(N)cc1)c1ccc[nH+]c1N ZINC001212401948 919571128 /nfs/dbraw/zinc/57/11/28/919571128.db2.gz NXCJQFYPGGWCTF-UHFFFAOYSA-N 1 2 278.337 1.344 20 10 CDCDLO CC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC001139673354 936634834 /nfs/dbraw/zinc/63/48/34/936634834.db2.gz AQLYDJYPEWYOSD-INIZCTEOSA-N 1 2 276.380 1.851 20 10 CDCDLO CC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC001139673354 936634835 /nfs/dbraw/zinc/63/48/35/936634835.db2.gz AQLYDJYPEWYOSD-INIZCTEOSA-N 1 2 276.380 1.851 20 10 CDCDLO COC(=O)CN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140344748 936704222 /nfs/dbraw/zinc/70/42/22/936704222.db2.gz LXZGQSQTMMJUAG-UHFFFAOYSA-N 1 2 298.770 1.336 20 10 CDCDLO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001140663901 936736684 /nfs/dbraw/zinc/73/66/84/936736684.db2.gz SEIBBSIJPLOTCF-GJZGRUSLSA-N 1 2 292.354 1.635 20 10 CDCDLO Fc1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001140663901 936736686 /nfs/dbraw/zinc/73/66/86/936736686.db2.gz SEIBBSIJPLOTCF-GJZGRUSLSA-N 1 2 292.354 1.635 20 10 CDCDLO O=C1NC[C@]2(CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)O1 ZINC001142526969 937027669 /nfs/dbraw/zinc/02/76/69/937027669.db2.gz DCNSRMBVDNFADT-AWEZNQCLSA-N 1 2 298.289 1.745 20 10 CDCDLO O=C1NC[C@]2(CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)O1 ZINC001142526969 937027671 /nfs/dbraw/zinc/02/76/71/937027671.db2.gz DCNSRMBVDNFADT-AWEZNQCLSA-N 1 2 298.289 1.745 20 10 CDCDLO Cc1nc(-n2cncn2)cc(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001159004716 938688266 /nfs/dbraw/zinc/68/82/66/938688266.db2.gz HUSYLIVFBNHNOC-UHFFFAOYSA-N 1 2 298.306 1.389 20 10 CDCDLO C[C@@]1(CO)CC(F)(F)C[N@@H+]1Cc1ccccc1O ZINC001203549883 939692894 /nfs/dbraw/zinc/69/28/94/939692894.db2.gz AZKLMATUDVGMTG-LBPRGKRZSA-N 1 2 257.280 1.984 20 10 CDCDLO C[C@@]1(CO)CC(F)(F)C[N@H+]1Cc1ccccc1O ZINC001203549883 939692895 /nfs/dbraw/zinc/69/28/95/939692895.db2.gz AZKLMATUDVGMTG-LBPRGKRZSA-N 1 2 257.280 1.984 20 10 CDCDLO COC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)CCO1 ZINC001231855430 943030451 /nfs/dbraw/zinc/03/04/51/943030451.db2.gz UABTZWCOJVLMQP-HNNXBMFYSA-N 1 2 294.395 1.608 20 10 CDCDLO COC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)CCO1 ZINC001231855430 943030452 /nfs/dbraw/zinc/03/04/52/943030452.db2.gz UABTZWCOJVLMQP-HNNXBMFYSA-N 1 2 294.395 1.608 20 10 CDCDLO C[N@H+](CCO)Cc1cc(F)cc(Br)c1O ZINC001236256804 944438478 /nfs/dbraw/zinc/43/84/78/944438478.db2.gz RSSPRJXIFRNXOC-UHFFFAOYSA-N 1 2 278.121 1.718 20 10 CDCDLO C[N@@H+](CCO)Cc1cc(F)cc(Br)c1O ZINC001236256804 944438480 /nfs/dbraw/zinc/43/84/80/944438480.db2.gz RSSPRJXIFRNXOC-UHFFFAOYSA-N 1 2 278.121 1.718 20 10 CDCDLO COc1cc(C)c(C[N@@H+]2CCNC(=O)[C@@H]2C)c(O)c1 ZINC001236814130 944577919 /nfs/dbraw/zinc/57/79/19/944577919.db2.gz PGGIMVYPYNJZKV-JTQLQIEISA-N 1 2 264.325 1.030 20 10 CDCDLO COc1cc(C)c(C[N@H+]2CCNC(=O)[C@@H]2C)c(O)c1 ZINC001236814130 944577925 /nfs/dbraw/zinc/57/79/25/944577925.db2.gz PGGIMVYPYNJZKV-JTQLQIEISA-N 1 2 264.325 1.030 20 10 CDCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCOC[C@H](O)C1 ZINC001237078333 944653621 /nfs/dbraw/zinc/65/36/21/944653621.db2.gz PVCCSOMCOZNVCM-MRVPVSSYSA-N 1 2 292.162 1.892 20 10 CDCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCOC[C@H](O)C1 ZINC001237078333 944653626 /nfs/dbraw/zinc/65/36/26/944653626.db2.gz PVCCSOMCOZNVCM-MRVPVSSYSA-N 1 2 292.162 1.892 20 10 CDCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CCc2nncn2CC1 ZINC001237801611 944955610 /nfs/dbraw/zinc/95/56/10/944955610.db2.gz RZRAYBCWIYPSKF-UHFFFAOYSA-N 1 2 296.733 1.835 20 10 CDCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CCc2nncn2CC1 ZINC001237801611 944955619 /nfs/dbraw/zinc/95/56/19/944955619.db2.gz RZRAYBCWIYPSKF-UHFFFAOYSA-N 1 2 296.733 1.835 20 10 CDCDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cccc(Cl)c1O ZINC000179587089 357214730 /nfs/dbraw/zinc/21/47/30/357214730.db2.gz CEEJTZPVEWWBIW-UHFFFAOYSA-N 1 2 298.770 1.336 20 10 CDCDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cccc(Cl)c1O ZINC000179587089 357214733 /nfs/dbraw/zinc/21/47/33/357214733.db2.gz CEEJTZPVEWWBIW-UHFFFAOYSA-N 1 2 298.770 1.336 20 10 CDCDLO O=C1C[N@@H+](Cc2cc(F)ccc2O)[C@H]2CCCC[C@H]2N1 ZINC000180014727 357237235 /nfs/dbraw/zinc/23/72/35/357237235.db2.gz HKSYLYFYNPWFQL-OLZOCXBDSA-N 1 2 278.327 1.774 20 10 CDCDLO O=C1C[N@H+](Cc2cc(F)ccc2O)[C@H]2CCCC[C@H]2N1 ZINC000180014727 357237238 /nfs/dbraw/zinc/23/72/38/357237238.db2.gz HKSYLYFYNPWFQL-OLZOCXBDSA-N 1 2 278.327 1.774 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H](C)O1 ZINC000180731462 357286430 /nfs/dbraw/zinc/28/64/30/357286430.db2.gz SXLAXKJDKAQTPF-BXKDBHETSA-N 1 2 299.754 1.808 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H](C)O1 ZINC000180731462 357286432 /nfs/dbraw/zinc/28/64/32/357286432.db2.gz SXLAXKJDKAQTPF-BXKDBHETSA-N 1 2 299.754 1.808 20 10 CDCDLO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(F)c(F)c1O ZINC000191184556 358118315 /nfs/dbraw/zinc/11/83/15/358118315.db2.gz JYXVXSGQEWETEV-MRVPVSSYSA-N 1 2 284.306 1.847 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000272325807 365190418 /nfs/dbraw/zinc/19/04/18/365190418.db2.gz VHFNHBDTSWKSEU-UHFFFAOYSA-N 1 2 288.326 1.644 20 10 CDCDLO COCCOCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273442851 365496647 /nfs/dbraw/zinc/49/66/47/365496647.db2.gz YXLJQJRZJYNWEK-SNVBAGLBSA-N 1 2 284.312 1.614 20 10 CDCDLO COC(=O)C[N@H+](CCCO)Cc1cc(Cl)ccc1O ZINC000109779814 390648413 /nfs/dbraw/zinc/64/84/13/390648413.db2.gz JICUURKGJATMIW-UHFFFAOYSA-N 1 2 287.743 1.403 20 10 CDCDLO COC(=O)C[N@@H+](CCCO)Cc1cc(Cl)ccc1O ZINC000109779814 390648418 /nfs/dbraw/zinc/64/84/18/390648418.db2.gz JICUURKGJATMIW-UHFFFAOYSA-N 1 2 287.743 1.403 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000271754683 391303627 /nfs/dbraw/zinc/30/36/27/391303627.db2.gz CMQUBZZGFHACJD-ZDUSSCGKSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000271754683 391303631 /nfs/dbraw/zinc/30/36/31/391303631.db2.gz CMQUBZZGFHACJD-ZDUSSCGKSA-N 1 2 295.335 1.165 20 10 CDCDLO COc1c(O)c(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278153818 286187078 /nfs/dbraw/zinc/18/70/78/286187078.db2.gz CQCAJARDRRVSPF-VHSXEESVSA-N 1 2 296.323 1.918 20 10 CDCDLO COc1c(O)c(C[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278153818 286187079 /nfs/dbraw/zinc/18/70/79/286187079.db2.gz CQCAJARDRRVSPF-VHSXEESVSA-N 1 2 296.323 1.918 20 10 CDCDLO OCCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000020198904 171062632 /nfs/dbraw/zinc/06/26/32/171062632.db2.gz RCPDEIFWFXRLCH-UHFFFAOYSA-N 1 2 280.151 1.798 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+](C)Cc2nncn2C)c1 ZINC000289954027 263113557 /nfs/dbraw/zinc/11/35/57/263113557.db2.gz BRNVCUQRSHISRC-UHFFFAOYSA-N 1 2 276.340 1.551 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2nncn2C)c1 ZINC000289954027 263113558 /nfs/dbraw/zinc/11/35/58/263113558.db2.gz BRNVCUQRSHISRC-UHFFFAOYSA-N 1 2 276.340 1.551 20 10 CDCDLO CC[N@H+](C[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 ZINC000279847875 521231511 /nfs/dbraw/zinc/23/15/11/521231511.db2.gz ATWZHHNRSHYTCT-LBPRGKRZSA-N 1 2 283.393 1.956 20 10 CDCDLO CC[N@@H+](C[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 ZINC000279847875 521231525 /nfs/dbraw/zinc/23/15/25/521231525.db2.gz ATWZHHNRSHYTCT-LBPRGKRZSA-N 1 2 283.393 1.956 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)CC(=O)N(C)C)c1O ZINC000050133709 518283964 /nfs/dbraw/zinc/28/39/64/518283964.db2.gz GDTAMTURMDBURL-UHFFFAOYSA-N 1 2 282.315 1.254 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)CC(=O)N(C)C)c1O ZINC000050133709 518283972 /nfs/dbraw/zinc/28/39/72/518283972.db2.gz GDTAMTURMDBURL-UHFFFAOYSA-N 1 2 282.315 1.254 20 10 CDCDLO COc1cc(O)c(CN2CCn3c[nH+]cc3C2)cc1OC ZINC000291499027 522778845 /nfs/dbraw/zinc/77/88/45/522778845.db2.gz HEXDYFRVBXDVIV-UHFFFAOYSA-N 1 2 289.335 1.622 20 10 CDCDLO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366545312 526432917 /nfs/dbraw/zinc/43/29/17/526432917.db2.gz PQMSUADBLBYNEN-JKSUJKDBSA-N 1 2 274.364 1.496 20 10 CDCDLO c1cc(N2CCOCC2)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366545312 526432919 /nfs/dbraw/zinc/43/29/19/526432919.db2.gz PQMSUADBLBYNEN-JKSUJKDBSA-N 1 2 274.364 1.496 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c(O)c1 ZINC000769191669 576336688 /nfs/dbraw/zinc/33/66/88/576336688.db2.gz AWDCSQFLOPFYEA-JTQLQIEISA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)c(O)c1 ZINC000769191669 576336689 /nfs/dbraw/zinc/33/66/89/576336689.db2.gz AWDCSQFLOPFYEA-JTQLQIEISA-N 1 2 264.325 1.111 20 10 CDCDLO CCn1nccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000753848457 576862990 /nfs/dbraw/zinc/86/29/90/576862990.db2.gz FHUPSPFZHYHOKJ-UHFFFAOYSA-N 1 2 276.296 1.807 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nnnn2C)cc1 ZINC000750282064 576983625 /nfs/dbraw/zinc/98/36/25/576983625.db2.gz LPDLZBMHTXQAJL-UHFFFAOYSA-N 1 2 288.399 1.688 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nnnn2C)cc1 ZINC000750282064 576983626 /nfs/dbraw/zinc/98/36/26/576983626.db2.gz LPDLZBMHTXQAJL-UHFFFAOYSA-N 1 2 288.399 1.688 20 10 CDCDLO C[C@@H]([NH2+]C[C@H]1COCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000756433766 576990198 /nfs/dbraw/zinc/99/01/98/576990198.db2.gz HIKSJZHZZBCVHZ-KOLCDFICSA-N 1 2 282.296 1.366 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(F)cc1O ZINC000756732861 577002350 /nfs/dbraw/zinc/00/23/50/577002350.db2.gz NPZNUNSAPORFAR-MRVPVSSYSA-N 1 2 277.303 1.704 20 10 CDCDLO C[C@H]([NH2+][C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000756770822 577003796 /nfs/dbraw/zinc/00/37/96/577003796.db2.gz XMJLQOFYOWYACO-IUCAKERBSA-N 1 2 252.270 1.740 20 10 CDCDLO C[C@H]1C[C@@H]([NH2+]Cc2ncn(C)n2)c2c1c(F)ccc2O ZINC000756778869 577004299 /nfs/dbraw/zinc/00/42/99/577004299.db2.gz GDHVJNQVMJLXDZ-WCBMZHEXSA-N 1 2 276.315 1.998 20 10 CDCDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895114510 619304843 /nfs/dbraw/zinc/30/48/43/619304843.db2.gz MEMICHWLAMKMLG-AEJSXWLSSA-N 1 2 292.335 1.218 20 10 CDCDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895114510 619304847 /nfs/dbraw/zinc/30/48/47/619304847.db2.gz MEMICHWLAMKMLG-AEJSXWLSSA-N 1 2 292.335 1.218 20 10 CDCDLO CN1CC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000896593967 620160898 /nfs/dbraw/zinc/16/08/98/620160898.db2.gz DHTPXTNBRONNRR-JTQLQIEISA-N 1 2 258.724 1.978 20 10 CDCDLO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001589978577 1173221880 /nfs/dbraw/zinc/22/18/80/1173221880.db2.gz OWWOJUCPTVUBNP-UTLUCORTSA-N 1 2 273.340 1.879 20 10 CDCDLO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1nnn(C)n1 ZINC000398065274 1187294184 /nfs/dbraw/zinc/29/41/84/1187294184.db2.gz HJNHYHLMRUJJIB-NXEZZACHSA-N 1 2 273.340 1.562 20 10 CDCDLO COc1cccc(CNC(=O)CCc2[nH]cc[nH+]2)c1O ZINC000806762949 735354210 /nfs/dbraw/zinc/35/42/10/735354210.db2.gz MOOLOEYYMIIBBQ-UHFFFAOYSA-N 1 2 275.308 1.373 20 10 CDCDLO COc1cccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1O ZINC000847589700 735493376 /nfs/dbraw/zinc/49/33/76/735493376.db2.gz MSSORAHVSRCSBA-SNVBAGLBSA-N 1 2 289.335 1.619 20 10 CDCDLO COc1cccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1O ZINC000847589700 735493380 /nfs/dbraw/zinc/49/33/80/735493380.db2.gz MSSORAHVSRCSBA-SNVBAGLBSA-N 1 2 289.335 1.619 20 10 CDCDLO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000789775819 733579291 /nfs/dbraw/zinc/57/92/91/733579291.db2.gz BZUJIWGIJNQNLG-OQPBUACISA-N 1 2 289.734 1.814 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000093081410 733946933 /nfs/dbraw/zinc/94/69/33/733946933.db2.gz ACXGCFBIYMNVRG-CQSZACIVSA-N 1 2 278.352 1.126 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000093081410 733946938 /nfs/dbraw/zinc/94/69/38/733946938.db2.gz ACXGCFBIYMNVRG-CQSZACIVSA-N 1 2 278.352 1.126 20 10 CDCDLO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816521329 735069134 /nfs/dbraw/zinc/06/91/34/735069134.db2.gz MPOQVLQCYDTMJC-MRVPVSSYSA-N 1 2 287.722 1.427 20 10 CDCDLO COC[C@H]1COCC[N@@H+]1Cc1cccc(F)c1O ZINC001138129790 936475439 /nfs/dbraw/zinc/47/54/39/936475439.db2.gz WQWKMUZTSREKTD-NSHDSACASA-N 1 2 255.289 1.379 20 10 CDCDLO COC[C@H]1COCC[N@H+]1Cc1cccc(F)c1O ZINC001138129790 936475441 /nfs/dbraw/zinc/47/54/41/936475441.db2.gz WQWKMUZTSREKTD-NSHDSACASA-N 1 2 255.289 1.379 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3cccnn3)CC2)cc1 ZINC001139968492 936662359 /nfs/dbraw/zinc/66/23/59/936662359.db2.gz NBZIGIZCBMPRHG-UHFFFAOYSA-N 1 2 284.363 1.807 20 10 CDCDLO CN1CCC[N@H+](Cc2c(O)cccc2Cl)CC1=O ZINC001140341534 936703350 /nfs/dbraw/zinc/70/33/50/936703350.db2.gz UMOAFYHWABKZRA-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO CN1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1=O ZINC001140341534 936703351 /nfs/dbraw/zinc/70/33/51/936703351.db2.gz UMOAFYHWABKZRA-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585574 936728240 /nfs/dbraw/zinc/72/82/40/936728240.db2.gz ONOYNCGCZVGGDY-NSHDSACASA-N 1 2 284.306 1.723 20 10 CDCDLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585574 936728241 /nfs/dbraw/zinc/72/82/41/936728241.db2.gz ONOYNCGCZVGGDY-NSHDSACASA-N 1 2 284.306 1.723 20 10 CDCDLO Cc1c(O)ccc(C[N@@H+]2CCn3nccc3C2)c1O ZINC001140749862 936749758 /nfs/dbraw/zinc/74/97/58/936749758.db2.gz OLKOUIRHJCZCRM-UHFFFAOYSA-N 1 2 259.309 1.619 20 10 CDCDLO Cc1c(O)ccc(C[N@H+]2CCn3nccc3C2)c1O ZINC001140749862 936749759 /nfs/dbraw/zinc/74/97/59/936749759.db2.gz OLKOUIRHJCZCRM-UHFFFAOYSA-N 1 2 259.309 1.619 20 10 CDCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140947796 936782250 /nfs/dbraw/zinc/78/22/50/936782250.db2.gz GAEBMZQSCQOFFB-ZDUSSCGKSA-N 1 2 291.347 1.655 20 10 CDCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC001140947796 936782252 /nfs/dbraw/zinc/78/22/52/936782252.db2.gz GAEBMZQSCQOFFB-ZDUSSCGKSA-N 1 2 291.347 1.655 20 10 CDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCC1=O ZINC001140947796 936782254 /nfs/dbraw/zinc/78/22/54/936782254.db2.gz GAEBMZQSCQOFFB-ZDUSSCGKSA-N 1 2 291.347 1.655 20 10 CDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2O)CCC1=O ZINC001140947796 936782255 /nfs/dbraw/zinc/78/22/55/936782255.db2.gz GAEBMZQSCQOFFB-ZDUSSCGKSA-N 1 2 291.347 1.655 20 10 CDCDLO C[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140368 936818844 /nfs/dbraw/zinc/81/88/44/936818844.db2.gz KXDZRPNCNMSUDP-GFCCVEGCSA-N 1 2 262.353 1.736 20 10 CDCDLO C[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140368 936818845 /nfs/dbraw/zinc/81/88/45/936818845.db2.gz KXDZRPNCNMSUDP-GFCCVEGCSA-N 1 2 262.353 1.736 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC001144514405 931876893 /nfs/dbraw/zinc/87/68/93/931876893.db2.gz BRFQTKMUIQBOIV-NSHDSACASA-N 1 2 293.241 1.567 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC001144514405 931876900 /nfs/dbraw/zinc/87/69/00/931876900.db2.gz BRFQTKMUIQBOIV-NSHDSACASA-N 1 2 293.241 1.567 20 10 CDCDLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc2cccnc2c1O ZINC001162613002 939102455 /nfs/dbraw/zinc/10/24/55/939102455.db2.gz UHVDRZAFQWMTAL-UHFFFAOYSA-N 1 2 296.330 1.913 20 10 CDCDLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc2cccnc2c1O ZINC001162613002 939102457 /nfs/dbraw/zinc/10/24/57/939102457.db2.gz UHVDRZAFQWMTAL-UHFFFAOYSA-N 1 2 296.330 1.913 20 10 CDCDLO CC[N@H+](Cc1cc(O)c(O)c(OC)c1)C1COC1 ZINC001204344993 939758375 /nfs/dbraw/zinc/75/83/75/939758375.db2.gz FHPSHWYLSKEGHE-UHFFFAOYSA-N 1 2 253.298 1.327 20 10 CDCDLO CC[N@@H+](Cc1cc(O)c(O)c(OC)c1)C1COC1 ZINC001204344993 939758378 /nfs/dbraw/zinc/75/83/78/939758378.db2.gz FHPSHWYLSKEGHE-UHFFFAOYSA-N 1 2 253.298 1.327 20 10 CDCDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(OC)c(O)cc1O ZINC001231633716 942950301 /nfs/dbraw/zinc/95/03/01/942950301.db2.gz UTKQSMWXYFUILM-SNVBAGLBSA-N 1 2 281.308 1.244 20 10 CDCDLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(OC)c(O)cc1O ZINC001231633716 942950308 /nfs/dbraw/zinc/95/03/08/942950308.db2.gz UTKQSMWXYFUILM-SNVBAGLBSA-N 1 2 281.308 1.244 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232259075 943192817 /nfs/dbraw/zinc/19/28/17/943192817.db2.gz RFZOFHGXWSSIRF-VIFPVBQESA-N 1 2 270.716 1.201 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232259075 943192818 /nfs/dbraw/zinc/19/28/18/943192818.db2.gz RFZOFHGXWSSIRF-VIFPVBQESA-N 1 2 270.716 1.201 20 10 CDCDLO COc1cc(C)c(C[N@H+]2CC(=O)N[C@H](C)C2)c(O)c1 ZINC001236809134 944576466 /nfs/dbraw/zinc/57/64/66/944576466.db2.gz TXYGLQCEHNGJMG-SNVBAGLBSA-N 1 2 264.325 1.030 20 10 CDCDLO COc1cc(C)c(C[N@@H+]2CC(=O)N[C@H](C)C2)c(O)c1 ZINC001236809134 944576471 /nfs/dbraw/zinc/57/64/71/944576471.db2.gz TXYGLQCEHNGJMG-SNVBAGLBSA-N 1 2 264.325 1.030 20 10 CDCDLO COc1cc(C[N@@H+]2CCC(=O)C[C@H]2C)c(O)c(OC)c1 ZINC001237674387 944918354 /nfs/dbraw/zinc/91/83/54/944918354.db2.gz FRRCJLVYSPVZPV-SNVBAGLBSA-N 1 2 279.336 1.963 20 10 CDCDLO COc1cc(C[N@H+]2CCC(=O)C[C@H]2C)c(O)c(OC)c1 ZINC001237674387 944918362 /nfs/dbraw/zinc/91/83/62/944918362.db2.gz FRRCJLVYSPVZPV-SNVBAGLBSA-N 1 2 279.336 1.963 20 10 CDCDLO O=C1C[N@@H+](Cc2cc(F)ccc2O)[C@H]2CCCC[C@@H]2N1 ZINC000180014708 357236725 /nfs/dbraw/zinc/23/67/25/357236725.db2.gz HKSYLYFYNPWFQL-STQMWFEESA-N 1 2 278.327 1.774 20 10 CDCDLO O=C1C[N@H+](Cc2cc(F)ccc2O)[C@H]2CCCC[C@@H]2N1 ZINC000180014708 357236731 /nfs/dbraw/zinc/23/67/31/357236731.db2.gz HKSYLYFYNPWFQL-STQMWFEESA-N 1 2 278.327 1.774 20 10 CDCDLO COCCN(C)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187691977 357796872 /nfs/dbraw/zinc/79/68/72/357796872.db2.gz JCSVZWHTTHELJN-JTQLQIEISA-N 1 2 288.338 1.899 20 10 CDCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000188611328 357917523 /nfs/dbraw/zinc/91/75/23/357917523.db2.gz WMOCASSNGZDPBX-NWDGAFQWSA-N 1 2 299.754 1.462 20 10 CDCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000188611328 357917526 /nfs/dbraw/zinc/91/75/26/357917526.db2.gz WMOCASSNGZDPBX-NWDGAFQWSA-N 1 2 299.754 1.462 20 10 CDCDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000272250733 365152730 /nfs/dbraw/zinc/15/27/30/365152730.db2.gz IJIVNBLORZYQCF-LLVKDONJSA-N 1 2 253.273 1.669 20 10 CDCDLO COC(=O)[C@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000272250733 365152735 /nfs/dbraw/zinc/15/27/35/365152735.db2.gz IJIVNBLORZYQCF-LLVKDONJSA-N 1 2 253.273 1.669 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000272262588 365161047 /nfs/dbraw/zinc/16/10/47/365161047.db2.gz KISAIRHNRHQVRC-LLVKDONJSA-N 1 2 283.299 1.295 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000272262588 365161049 /nfs/dbraw/zinc/16/10/49/365161049.db2.gz KISAIRHNRHQVRC-LLVKDONJSA-N 1 2 283.299 1.295 20 10 CDCDLO CCCOc1ccc(C[N@@H+]2CCN(CC)C(=O)C2)c(O)c1 ZINC000273467645 365499754 /nfs/dbraw/zinc/49/97/54/365499754.db2.gz ISEQCYACGJCBDW-UHFFFAOYSA-N 1 2 292.379 1.845 20 10 CDCDLO CCCOc1ccc(C[N@H+]2CCN(CC)C(=O)C2)c(O)c1 ZINC000273467645 365499759 /nfs/dbraw/zinc/49/97/59/365499759.db2.gz ISEQCYACGJCBDW-UHFFFAOYSA-N 1 2 292.379 1.845 20 10 CDCDLO CCn1nncc1C[NH2+]Cc1cccc(Cl)c1O ZINC000529637548 368085475 /nfs/dbraw/zinc/08/54/75/368085475.db2.gz DCXQANYCUBEKQW-UHFFFAOYSA-N 1 2 266.732 1.947 20 10 CDCDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc2c(c1)OCO2 ZINC000493518840 375461257 /nfs/dbraw/zinc/46/12/57/375461257.db2.gz GUMJKGFHJFVCMC-GORDUTHDSA-N 1 2 271.276 1.815 20 10 CDCDLO CC(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191191676 278102801 /nfs/dbraw/zinc/10/28/01/278102801.db2.gz DEWLFRQCYULYMI-MRVPVSSYSA-N 1 2 272.295 1.847 20 10 CDCDLO COc1cc(O)c(C[N@H+](C)Cc2nccn2C)cc1OC ZINC000272849439 328200993 /nfs/dbraw/zinc/20/09/93/328200993.db2.gz SJXOZBYAUUXNNJ-UHFFFAOYSA-N 1 2 291.351 1.775 20 10 CDCDLO COc1cc(O)c(C[N@@H+](C)Cc2nccn2C)cc1OC ZINC000272849439 328200994 /nfs/dbraw/zinc/20/09/94/328200994.db2.gz SJXOZBYAUUXNNJ-UHFFFAOYSA-N 1 2 291.351 1.775 20 10 CDCDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000377833426 329031116 /nfs/dbraw/zinc/03/11/16/329031116.db2.gz DPQBICMILMCFQE-GFCCVEGCSA-N 1 2 283.299 1.295 20 10 CDCDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC000377833426 329031117 /nfs/dbraw/zinc/03/11/17/329031117.db2.gz DPQBICMILMCFQE-GFCCVEGCSA-N 1 2 283.299 1.295 20 10 CDCDLO COCC[N@H+](Cc1c(O)cccc1Cl)[C@@H](C)C(N)=O ZINC000119929529 523740594 /nfs/dbraw/zinc/74/05/94/523740594.db2.gz FDSARTYSOWZZPA-VIFPVBQESA-N 1 2 286.759 1.368 20 10 CDCDLO COCC[N@@H+](Cc1c(O)cccc1Cl)[C@@H](C)C(N)=O ZINC000119929529 523740602 /nfs/dbraw/zinc/74/06/02/523740602.db2.gz FDSARTYSOWZZPA-VIFPVBQESA-N 1 2 286.759 1.368 20 10 CDCDLO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C1=CC(=O)CS1 ZINC000771742929 575606156 /nfs/dbraw/zinc/60/61/56/575606156.db2.gz HCHGSESWSRFZRZ-NSHDSACASA-N 1 2 297.424 1.210 20 10 CDCDLO COC(=O)N1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768931860 576318229 /nfs/dbraw/zinc/31/82/29/576318229.db2.gz TUEDQDVKSTZTLZ-UHFFFAOYSA-N 1 2 295.358 1.776 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1O ZINC000756524450 576993750 /nfs/dbraw/zinc/99/37/50/576993750.db2.gz FTMNVAOKHOWCDG-IONNQARKSA-N 1 2 270.279 1.552 20 10 CDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000756555046 576995444 /nfs/dbraw/zinc/99/54/44/576995444.db2.gz RKZHUETUDYQMAO-VIFPVBQESA-N 1 2 275.308 1.753 20 10 CDCDLO COc1ccc(C[N@@H+]2CCO[C@H](CF)C2)c(O)c1OC ZINC000894887519 619123467 /nfs/dbraw/zinc/12/34/67/619123467.db2.gz IABCRPOHAZRJDZ-LLVKDONJSA-N 1 2 285.315 1.580 20 10 CDCDLO COc1ccc(C[N@H+]2CCO[C@H](CF)C2)c(O)c1OC ZINC000894887519 619123469 /nfs/dbraw/zinc/12/34/69/619123469.db2.gz IABCRPOHAZRJDZ-LLVKDONJSA-N 1 2 285.315 1.580 20 10 CDCDLO Cn1ccc(-n2cc(C[N@H+](C)Cc3ccccc3O)nn2)n1 ZINC000906275819 627164436 /nfs/dbraw/zinc/16/44/36/627164436.db2.gz DRPXJEQYJVALKV-UHFFFAOYSA-N 1 2 298.350 1.338 20 10 CDCDLO Cn1ccc(-n2cc(C[N@@H+](C)Cc3ccccc3O)nn2)n1 ZINC000906275819 627164439 /nfs/dbraw/zinc/16/44/39/627164439.db2.gz DRPXJEQYJVALKV-UHFFFAOYSA-N 1 2 298.350 1.338 20 10 CDCDLO Cn1c[nH+]cc1CCC(=O)NCc1ccc(O)cc1O ZINC000910947896 629127113 /nfs/dbraw/zinc/12/71/13/629127113.db2.gz QVEARPCSYQJQAJ-UHFFFAOYSA-N 1 2 275.308 1.080 20 10 CDCDLO CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1[O-] ZINC000817982456 738412728 /nfs/dbraw/zinc/41/27/28/738412728.db2.gz SPCCGDCMNMWMRR-OCCSQVGLSA-N 1 2 282.359 1.951 20 10 CDCDLO C[C@](CO)([NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000883034438 737976767 /nfs/dbraw/zinc/97/67/67/737976767.db2.gz UXDFLFJUBFKBCY-CYBMUJFWSA-N 1 2 257.280 1.921 20 10 CDCDLO C[C@H](CC(N)=O)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776251223 738343074 /nfs/dbraw/zinc/34/30/74/738343074.db2.gz RIJCVBNURBYDME-ZCFIWIBFSA-N 1 2 260.696 1.538 20 10 CDCDLO CCOc1ccc(C[NH+]2CC(NC(C)=O)C2)c(O)c1 ZINC000839102331 738832621 /nfs/dbraw/zinc/83/26/21/738832621.db2.gz UOFDILOPIRYIRN-UHFFFAOYSA-N 1 2 264.325 1.111 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708398578 738874074 /nfs/dbraw/zinc/87/40/74/738874074.db2.gz HOANMBFHSYVYKA-LLVKDONJSA-N 1 2 270.279 1.381 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708398578 738874076 /nfs/dbraw/zinc/87/40/76/738874076.db2.gz HOANMBFHSYVYKA-LLVKDONJSA-N 1 2 270.279 1.381 20 10 CDCDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nncn1C ZINC000708494563 739183405 /nfs/dbraw/zinc/18/34/05/739183405.db2.gz LYFJOMPGRVBRQO-SSDOTTSWSA-N 1 2 268.267 1.650 20 10 CDCDLO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C(N)=O)c1ccccn1 ZINC000840949579 737728505 /nfs/dbraw/zinc/72/85/05/737728505.db2.gz YMULVCKTUMCWGR-INIZCTEOSA-N 1 2 298.390 1.772 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1COCCO1 ZINC000124719846 737911832 /nfs/dbraw/zinc/91/18/32/737911832.db2.gz ZKRRXIKQQHFEGV-JTQLQIEISA-N 1 2 257.717 1.551 20 10 CDCDLO O=C(/C=C\c1ccc(O)c(O)c1)OCCCn1cc[nH+]c1 ZINC000784286439 739041823 /nfs/dbraw/zinc/04/18/23/739041823.db2.gz LJEJKFYPKJGHMX-HYXAFXHYSA-N 1 2 288.303 1.941 20 10 CDCDLO C[N@@H+]1CCN(Cc2cccc(Cl)c2O)[C@H](CO)C1 ZINC000877645012 1166072819 /nfs/dbraw/zinc/07/28/19/1166072819.db2.gz YEUOPUHFHOFPKD-NSHDSACASA-N 1 2 270.760 1.154 20 10 CDCDLO C[N@H+]1CCN(Cc2cccc(Cl)c2O)[C@H](CO)C1 ZINC000877645012 1166072825 /nfs/dbraw/zinc/07/28/25/1166072825.db2.gz YEUOPUHFHOFPKD-NSHDSACASA-N 1 2 270.760 1.154 20 10 CDCDLO CN1CC[N@H+](Cc2cc(F)c(F)cc2O)CCC1=O ZINC001142525078 908861447 /nfs/dbraw/zinc/86/14/47/908861447.db2.gz WCZZOGNEVDTFSP-UHFFFAOYSA-N 1 2 270.279 1.335 20 10 CDCDLO CN1CC[N@@H+](Cc2cc(F)c(F)cc2O)CCC1=O ZINC001142525078 908861465 /nfs/dbraw/zinc/86/14/65/908861465.db2.gz WCZZOGNEVDTFSP-UHFFFAOYSA-N 1 2 270.279 1.335 20 10 CDCDLO C[C@@H]1CN(C2C[NH+](Cc3cccc(F)c3O)C2)C[C@@H](C)O1 ZINC001138130571 936476249 /nfs/dbraw/zinc/47/62/49/936476249.db2.gz CTGMSABKUVTYJR-VXGBXAGGSA-N 1 2 294.370 1.825 20 10 CDCDLO CC(=O)N1CCC[N@H+](Cc2ccc(F)c(F)c2O)CC1 ZINC000703482784 922709182 /nfs/dbraw/zinc/70/91/82/922709182.db2.gz LZYPGBRAPWTCBX-UHFFFAOYSA-N 1 2 284.306 1.725 20 10 CDCDLO CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(F)c2O)CC1 ZINC000703482784 922709187 /nfs/dbraw/zinc/70/91/87/922709187.db2.gz LZYPGBRAPWTCBX-UHFFFAOYSA-N 1 2 284.306 1.725 20 10 CDCDLO Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC001140950852 936783326 /nfs/dbraw/zinc/78/33/26/936783326.db2.gz KZBBCTUDJPOCDJ-QWRGUYRKSA-N 1 2 252.289 1.098 20 10 CDCDLO Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC001140950852 936783328 /nfs/dbraw/zinc/78/33/28/936783328.db2.gz KZBBCTUDJPOCDJ-QWRGUYRKSA-N 1 2 252.289 1.098 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141031781 936795841 /nfs/dbraw/zinc/79/58/41/936795841.db2.gz LEDGVDYJHNCDSL-LBPRGKRZSA-N 1 2 295.335 1.547 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141031781 936795842 /nfs/dbraw/zinc/79/58/42/936795842.db2.gz LEDGVDYJHNCDSL-LBPRGKRZSA-N 1 2 295.335 1.547 20 10 CDCDLO CCN1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CC1=O ZINC000708536113 923205547 /nfs/dbraw/zinc/20/55/47/923205547.db2.gz WSTMSVDEEFDHMU-SNVBAGLBSA-N 1 2 270.279 1.381 20 10 CDCDLO COc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)c(O)c1OC ZINC001119959947 937768037 /nfs/dbraw/zinc/76/80/37/937768037.db2.gz YWLVJOMMQWLOBK-VIFPVBQESA-N 1 2 292.339 1.389 20 10 CDCDLO CCOc1cccc(C[NH+]2CC(OCCOC)C2)c1O ZINC000779432265 934567691 /nfs/dbraw/zinc/56/76/91/934567691.db2.gz QMHIMSDIPSTIEY-UHFFFAOYSA-N 1 2 281.352 1.638 20 10 CDCDLO COC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccccc1O ZINC001203551471 939692567 /nfs/dbraw/zinc/69/25/67/939692567.db2.gz FHQPRSXRGVEETO-CYBMUJFWSA-N 1 2 288.351 1.267 20 10 CDCDLO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccccc1O ZINC001203551471 939692569 /nfs/dbraw/zinc/69/25/69/939692569.db2.gz FHQPRSXRGVEETO-CYBMUJFWSA-N 1 2 288.351 1.267 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+]2CC(=O)NC[C@H]2C)cc1 ZINC001203942451 939715324 /nfs/dbraw/zinc/71/53/24/939715324.db2.gz QWFGVNPYDUCWGH-CYBMUJFWSA-N 1 2 275.396 1.853 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+]2CC(=O)NC[C@H]2C)cc1 ZINC001203942451 939715326 /nfs/dbraw/zinc/71/53/26/939715326.db2.gz QWFGVNPYDUCWGH-CYBMUJFWSA-N 1 2 275.396 1.853 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCc3cc(C(N)=O)[nH]c3C2)cc1 ZINC001276958297 941731783 /nfs/dbraw/zinc/73/17/83/941731783.db2.gz IYZVEDFGXKHWBC-UHFFFAOYSA-N 1 2 298.390 1.738 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCc3cc(C(N)=O)[nH]c3C2)cc1 ZINC001276958297 941731785 /nfs/dbraw/zinc/73/17/85/941731785.db2.gz IYZVEDFGXKHWBC-UHFFFAOYSA-N 1 2 298.390 1.738 20 10 CDCDLO COc1cc(C[N@H+](C)Cc2ncccn2)c(O)cc1O ZINC001231634400 942949267 /nfs/dbraw/zinc/94/92/67/942949267.db2.gz LYZLGGHLFALDNV-UHFFFAOYSA-N 1 2 275.308 1.528 20 10 CDCDLO COc1cc(C[N@@H+](C)Cc2ncccn2)c(O)cc1O ZINC001231634400 942949271 /nfs/dbraw/zinc/94/92/71/942949271.db2.gz LYZLGGHLFALDNV-UHFFFAOYSA-N 1 2 275.308 1.528 20 10 CDCDLO Oc1cc(O)c(C[NH+]2CC(N3CCOCC3)C2)cc1Cl ZINC001232264356 943195551 /nfs/dbraw/zinc/19/55/51/943195551.db2.gz AKXMPHQGOKQGAF-UHFFFAOYSA-N 1 2 298.770 1.268 20 10 CDCDLO Oc1ccc(F)c(F)c1CN1CCn2c[nH+]cc2C1 ZINC001233335499 943549011 /nfs/dbraw/zinc/54/90/11/943549011.db2.gz YDMGISQQKJHTKY-UHFFFAOYSA-N 1 2 265.263 1.883 20 10 CDCDLO [NH3+][C@@]12CC[C@@H]1CN(Cc1ccc(F)c(F)c1O)C2 ZINC001235991611 944357144 /nfs/dbraw/zinc/35/71/44/944357144.db2.gz ONRLJXFDROAQBE-NOZJJQNGSA-N 1 2 254.280 1.594 20 10 CDCDLO O=C1NCC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]12 ZINC001237804594 944956928 /nfs/dbraw/zinc/95/69/28/944956928.db2.gz FEXNLSQMIZTSLG-GZMMTYOYSA-N 1 2 298.745 1.753 20 10 CDCDLO O=C1NCC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]12 ZINC001237804594 944956930 /nfs/dbraw/zinc/95/69/30/944956930.db2.gz FEXNLSQMIZTSLG-GZMMTYOYSA-N 1 2 298.745 1.753 20 10 CDCDLO Oc1cc(F)c(F)cc1C[NH2+]Cc1nnc2n1CCOC2 ZINC001308730733 956570330 /nfs/dbraw/zinc/57/03/30/956570330.db2.gz IKXAPBCNOVYYHF-UHFFFAOYSA-N 1 2 296.277 1.082 20 10 CDCDLO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc(C(=O)[O-])ccc1O ZINC001593286443 994644875 /nfs/dbraw/zinc/64/48/75/994644875.db2.gz SVHNHXBYNFAEAL-ZYHUDNBSSA-N 1 2 278.352 1.835 20 10 CDCDLO C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(C(=O)[O-])ccc1O ZINC001593286443 994644880 /nfs/dbraw/zinc/64/48/80/994644880.db2.gz SVHNHXBYNFAEAL-ZYHUDNBSSA-N 1 2 278.352 1.835 20 10 CDCDLO COC(=O)N1CC([NH2+][C@@H](C)c2ccc(F)c(F)c2O)C1 ZINC000276863294 291181326 /nfs/dbraw/zinc/18/13/26/291181326.db2.gz CWAXOFAJXUUKND-ZETCQYMHSA-N 1 2 286.278 1.772 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1cc2c(cc1O)OCO2)C(C)C ZINC000271113224 364928560 /nfs/dbraw/zinc/92/85/60/364928560.db2.gz FNDVBAQZYBERGE-UHFFFAOYSA-N 1 2 295.335 1.894 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1cc2c(cc1O)OCO2)C(C)C ZINC000271113224 364928566 /nfs/dbraw/zinc/92/85/66/364928566.db2.gz FNDVBAQZYBERGE-UHFFFAOYSA-N 1 2 295.335 1.894 20 10 CDCDLO CCOCCOC1C[NH+](Cc2cc(OC)ccc2O)C1 ZINC000272388935 365216341 /nfs/dbraw/zinc/21/63/41/365216341.db2.gz GUJKLHPAXCMVDN-UHFFFAOYSA-N 1 2 281.352 1.638 20 10 CDCDLO CC(C)N1CC[N@H+](Cc2cc(F)ccc2O)CC1=O ZINC000272507743 365269371 /nfs/dbraw/zinc/26/93/71/365269371.db2.gz IKHSHUKQVRJKEO-UHFFFAOYSA-N 1 2 266.316 1.584 20 10 CDCDLO CC(C)N1CC[N@@H+](Cc2cc(F)ccc2O)CC1=O ZINC000272507743 365269377 /nfs/dbraw/zinc/26/93/77/365269377.db2.gz IKHSHUKQVRJKEO-UHFFFAOYSA-N 1 2 266.316 1.584 20 10 CDCDLO C[C@H](O)C[N@@H+]1CCN(Cc2cccc(Cl)c2O)[C@@H](C)C1 ZINC000281129857 367593921 /nfs/dbraw/zinc/59/39/21/367593921.db2.gz YEKPLKSSWVHKDE-RYUDHWBXSA-N 1 2 298.814 1.933 20 10 CDCDLO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000281588246 367659787 /nfs/dbraw/zinc/65/97/87/367659787.db2.gz LNJOEXBTJINCIJ-IUCAKERBSA-N 1 2 275.295 1.718 20 10 CDCDLO CN(C)C(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000037225365 173045671 /nfs/dbraw/zinc/04/56/71/173045671.db2.gz DXRSKHZENWYEBM-UHFFFAOYSA-N 1 2 277.151 1.877 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000377834985 329031124 /nfs/dbraw/zinc/03/11/24/329031124.db2.gz PUGIEAKBHIQMHU-NSHDSACASA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cccc(Cl)c1O ZINC000377834985 329031126 /nfs/dbraw/zinc/03/11/26/329031126.db2.gz PUGIEAKBHIQMHU-NSHDSACASA-N 1 2 299.754 1.810 20 10 CDCDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000377890624 329033741 /nfs/dbraw/zinc/03/37/41/329033741.db2.gz WZVCRFKLHMOFSM-SECBINFHSA-N 1 2 268.744 1.756 20 10 CDCDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cccc(Cl)c1O ZINC000377890624 329033743 /nfs/dbraw/zinc/03/37/43/329033743.db2.gz WZVCRFKLHMOFSM-SECBINFHSA-N 1 2 268.744 1.756 20 10 CDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000188789486 329372337 /nfs/dbraw/zinc/37/23/37/329372337.db2.gz BGTGUNVUAKPHLT-HUUCEWRRSA-N 1 2 292.379 1.251 20 10 CDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000188789486 329372338 /nfs/dbraw/zinc/37/23/38/329372338.db2.gz BGTGUNVUAKPHLT-HUUCEWRRSA-N 1 2 292.379 1.251 20 10 CDCDLO COCC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726562719 574501049 /nfs/dbraw/zinc/50/10/49/574501049.db2.gz VAWKFSFJEHPTKQ-UHFFFAOYSA-N 1 2 278.352 1.427 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000769395500 576351478 /nfs/dbraw/zinc/35/14/78/576351478.db2.gz IGDMKIMAWCLTOG-LLVKDONJSA-N 1 2 257.717 1.239 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000769395500 576351480 /nfs/dbraw/zinc/35/14/80/576351480.db2.gz IGDMKIMAWCLTOG-LLVKDONJSA-N 1 2 257.717 1.239 20 10 CDCDLO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000759173906 577156884 /nfs/dbraw/zinc/15/68/84/577156884.db2.gz RCVNRQWUXDPKBU-TZMCWYRMSA-N 1 2 296.323 1.584 20 10 CDCDLO C[N@H+](Cc1cc(F)cc(F)c1O)CC(C)(CO)CO ZINC000894033163 618251207 /nfs/dbraw/zinc/25/12/07/618251207.db2.gz BJWDLZUVXCNYIE-UHFFFAOYSA-N 1 2 275.295 1.093 20 10 CDCDLO C[N@@H+](Cc1cc(F)cc(F)c1O)CC(C)(CO)CO ZINC000894033163 618251210 /nfs/dbraw/zinc/25/12/10/618251210.db2.gz BJWDLZUVXCNYIE-UHFFFAOYSA-N 1 2 275.295 1.093 20 10 CDCDLO COc1cc(O)c(CNc2cc(CO)cc[nH+]2)cc1OC ZINC000895037787 619214216 /nfs/dbraw/zinc/21/42/16/619214216.db2.gz NSNLEUASJMGVSG-UHFFFAOYSA-N 1 2 290.319 1.909 20 10 CDCDLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2cc(F)ccc2O)[C@H]1C ZINC000895119099 619312830 /nfs/dbraw/zinc/31/28/30/619312830.db2.gz VGVMPHMYJRUPAQ-GUBZILKMSA-N 1 2 266.316 1.629 20 10 CDCDLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2cc(F)ccc2O)[C@H]1C ZINC000895119099 619312833 /nfs/dbraw/zinc/31/28/33/619312833.db2.gz VGVMPHMYJRUPAQ-GUBZILKMSA-N 1 2 266.316 1.629 20 10 CDCDLO COc1ccc(C[N@H+](C)Cc2nnc(C)o2)c(O)c1OC ZINC000895353832 619596228 /nfs/dbraw/zinc/59/62/28/619596228.db2.gz WEIQSWZLNATZHO-UHFFFAOYSA-N 1 2 293.323 1.733 20 10 CDCDLO COc1ccc(C[N@@H+](C)Cc2nnc(C)o2)c(O)c1OC ZINC000895353832 619596234 /nfs/dbraw/zinc/59/62/34/619596234.db2.gz WEIQSWZLNATZHO-UHFFFAOYSA-N 1 2 293.323 1.733 20 10 CDCDLO COc1ccc(C[N@H+](C)Cc2cn(C)nn2)c(O)c1OC ZINC000895387526 619625552 /nfs/dbraw/zinc/62/55/52/619625552.db2.gz FSQDXDPXSKIGKN-UHFFFAOYSA-N 1 2 292.339 1.170 20 10 CDCDLO COc1ccc(C[N@@H+](C)Cc2cn(C)nn2)c(O)c1OC ZINC000895387526 619625555 /nfs/dbraw/zinc/62/55/55/619625555.db2.gz FSQDXDPXSKIGKN-UHFFFAOYSA-N 1 2 292.339 1.170 20 10 CDCDLO CN(C)c1ccc(CNC(=O)CNc2cccc[nH+]2)cc1 ZINC000899983958 622598184 /nfs/dbraw/zinc/59/81/84/622598184.db2.gz WCYXDIAYHIPBNH-UHFFFAOYSA-N 1 2 284.363 1.876 20 10 CDCDLO CC[N@@H+]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C ZINC000827311180 740817088 /nfs/dbraw/zinc/81/70/88/740817088.db2.gz WPAGCIFNLPAPMJ-SECBINFHSA-N 1 2 282.315 1.403 20 10 CDCDLO [NH3+]CC(F)(F)CNCc1cccc(Cl)c1O ZINC000841060186 740823919 /nfs/dbraw/zinc/82/39/19/740823919.db2.gz SHUAHUJKILDPED-UHFFFAOYSA-N 1 2 250.676 1.729 20 10 CDCDLO COCc1noc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)n1 ZINC000180251064 742029791 /nfs/dbraw/zinc/02/97/91/742029791.db2.gz FGUDRTKDSALAHH-VIFPVBQESA-N 1 2 293.323 1.781 20 10 CDCDLO Cc1cc(Cn2cc(Cn3cc[nH+]c3)nn2)ccc1N(C)C ZINC000881378396 742032954 /nfs/dbraw/zinc/03/29/54/742032954.db2.gz OMMLWVOWWUWISQ-UHFFFAOYSA-N 1 2 296.378 1.946 20 10 CDCDLO CN(C(=O)/C=C/C[NH+]1CCOCC1)c1ccc(N)cc1 ZINC000877075470 739505993 /nfs/dbraw/zinc/50/59/93/739505993.db2.gz DDEBAHVONONENK-NSCUHMNNSA-N 1 2 275.352 1.120 20 10 CDCDLO CN(C)C(=O)NCC[N@H+](C)Cc1cccc(Cl)c1O ZINC000779432302 741175275 /nfs/dbraw/zinc/17/52/75/741175275.db2.gz QXOGFJLKORFRPG-UHFFFAOYSA-N 1 2 285.775 1.749 20 10 CDCDLO CN(C)C(=O)NCC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000779432302 741175285 /nfs/dbraw/zinc/17/52/85/741175285.db2.gz QXOGFJLKORFRPG-UHFFFAOYSA-N 1 2 285.775 1.749 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817419012 741377178 /nfs/dbraw/zinc/37/71/78/741377178.db2.gz OCQBMYDLEYBTDU-JTQLQIEISA-N 1 2 293.758 1.527 20 10 CDCDLO CCn1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000838922364 741782466 /nfs/dbraw/zinc/78/24/66/741782466.db2.gz IYTKTXZQMDKMOK-UHFFFAOYSA-N 1 2 258.325 1.523 20 10 CDCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000847296339 742834737 /nfs/dbraw/zinc/83/47/37/742834737.db2.gz FLCVHWGLVBDCEH-GFCCVEGCSA-N 1 2 286.379 1.971 20 10 CDCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000847296339 742834738 /nfs/dbraw/zinc/83/47/38/742834738.db2.gz FLCVHWGLVBDCEH-GFCCVEGCSA-N 1 2 286.379 1.971 20 10 CDCDLO CN(c1cc[nH+]cc1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001173883676 912891980 /nfs/dbraw/zinc/89/19/80/912891980.db2.gz PYWJXPQWEMHZHI-UHFFFAOYSA-N 1 2 291.376 1.673 20 10 CDCDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142527170 908866250 /nfs/dbraw/zinc/86/62/50/908866250.db2.gz MXGARPCPNGSUGT-WOFXILAISA-N 1 2 283.274 1.521 20 10 CDCDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142527170 908866270 /nfs/dbraw/zinc/86/62/70/908866270.db2.gz MXGARPCPNGSUGT-WOFXILAISA-N 1 2 283.274 1.521 20 10 CDCDLO CCOC(=O)C1C[NH+](Cc2cccc(F)c2O)C1 ZINC001138127701 936475036 /nfs/dbraw/zinc/47/50/36/936475036.db2.gz NCVIFQOBZMJUBL-UHFFFAOYSA-N 1 2 253.273 1.526 20 10 CDCDLO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582997 936727072 /nfs/dbraw/zinc/72/70/72/936727072.db2.gz SLZHGTDBDGFOSL-QMMMGPOBSA-N 1 2 271.263 1.665 20 10 CDCDLO COC(=O)[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582997 936727074 /nfs/dbraw/zinc/72/70/74/936727074.db2.gz SLZHGTDBDGFOSL-QMMMGPOBSA-N 1 2 271.263 1.665 20 10 CDCDLO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3cc(F)c(F)cc3O)[C@H]2C1 ZINC001142512914 937025911 /nfs/dbraw/zinc/02/59/11/937025911.db2.gz PMCUJYAMHAZJHK-FGEZKYSXSA-N 1 2 299.317 1.642 20 10 CDCDLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3cc(F)c(F)cc3O)[C@H]2C1 ZINC001142512914 937025914 /nfs/dbraw/zinc/02/59/14/937025914.db2.gz PMCUJYAMHAZJHK-FGEZKYSXSA-N 1 2 299.317 1.642 20 10 CDCDLO O=C(NCc1c(O)cccc1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001156880794 938428334 /nfs/dbraw/zinc/42/83/34/938428334.db2.gz BGFVHIQEGXPSCU-JTQLQIEISA-N 1 2 287.319 1.173 20 10 CDCDLO CC(C)[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCO1 ZINC001203879875 939710949 /nfs/dbraw/zinc/71/09/49/939710949.db2.gz JLQHQONNFGXQNM-AWEZNQCLSA-N 1 2 251.326 1.955 20 10 CDCDLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCO1 ZINC001203879875 939710950 /nfs/dbraw/zinc/71/09/50/939710950.db2.gz JLQHQONNFGXQNM-AWEZNQCLSA-N 1 2 251.326 1.955 20 10 CDCDLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203882899 939711703 /nfs/dbraw/zinc/71/17/03/939711703.db2.gz WNAOJMHLXSIMIT-CYBMUJFWSA-N 1 2 292.379 1.979 20 10 CDCDLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203882899 939711704 /nfs/dbraw/zinc/71/17/04/939711704.db2.gz WNAOJMHLXSIMIT-CYBMUJFWSA-N 1 2 292.379 1.979 20 10 CDCDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204326337 939755394 /nfs/dbraw/zinc/75/53/94/939755394.db2.gz FZWDHHDAKVARED-ZDUSSCGKSA-N 1 2 273.380 1.607 20 10 CDCDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204326337 939755396 /nfs/dbraw/zinc/75/53/96/939755396.db2.gz FZWDHHDAKVARED-ZDUSSCGKSA-N 1 2 273.380 1.607 20 10 CDCDLO C[N@@H+]1CCC12CN(Cc1c(O)ccc(F)c1F)C2 ZINC001276471453 939771401 /nfs/dbraw/zinc/77/14/01/939771401.db2.gz XBVIOTRWNMUOKM-UHFFFAOYSA-N 1 2 254.280 1.560 20 10 CDCDLO C[N@H+]1CCC12CN(Cc1c(O)ccc(F)c1F)C2 ZINC001276471453 939771405 /nfs/dbraw/zinc/77/14/05/939771405.db2.gz XBVIOTRWNMUOKM-UHFFFAOYSA-N 1 2 254.280 1.560 20 10 CDCDLO CC[N@H+](CC(=O)OC)Cc1cc(OC)c(O)cc1O ZINC001231639010 942953348 /nfs/dbraw/zinc/95/33/48/942953348.db2.gz CPJJVCDDQZPCQA-UHFFFAOYSA-N 1 2 269.297 1.101 20 10 CDCDLO CC[N@@H+](CC(=O)OC)Cc1cc(OC)c(O)cc1O ZINC001231639010 942953352 /nfs/dbraw/zinc/95/33/52/942953352.db2.gz CPJJVCDDQZPCQA-UHFFFAOYSA-N 1 2 269.297 1.101 20 10 CDCDLO OC[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC001231910987 943052748 /nfs/dbraw/zinc/05/27/48/943052748.db2.gz XOOTZAWVPFMKFT-ZYHUDNBSSA-N 1 2 271.744 1.221 20 10 CDCDLO OC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC001231910987 943052752 /nfs/dbraw/zinc/05/27/52/943052752.db2.gz XOOTZAWVPFMKFT-ZYHUDNBSSA-N 1 2 271.744 1.221 20 10 CDCDLO Oc1cc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc(O)c1O ZINC001233012959 943462006 /nfs/dbraw/zinc/46/20/06/943462006.db2.gz LNZCPZGFFUSCRV-KCJUWKMLSA-N 1 2 287.262 1.269 20 10 CDCDLO Oc1cc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc(O)c1O ZINC001233012959 943462010 /nfs/dbraw/zinc/46/20/10/943462010.db2.gz LNZCPZGFFUSCRV-KCJUWKMLSA-N 1 2 287.262 1.269 20 10 CDCDLO COC(=O)C1C[NH+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233287916 943532101 /nfs/dbraw/zinc/53/21/01/943532101.db2.gz NEIGTEINXQBDMN-UHFFFAOYSA-N 1 2 285.727 1.659 20 10 CDCDLO CN(C)C(=O)C1C[NH+](Cc2c(O)ccc(F)c2F)C1 ZINC001233334642 943546153 /nfs/dbraw/zinc/54/61/53/943546153.db2.gz OKMHEDMTWGGDAS-UHFFFAOYSA-N 1 2 270.279 1.190 20 10 CDCDLO CCc1ccc(C[NH+]2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC001236786586 944567726 /nfs/dbraw/zinc/56/77/26/944567726.db2.gz DXBUDVUCSUPNOA-UHFFFAOYSA-N 1 2 298.408 1.032 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)C[C@@H]1O ZINC001236792061 944571006 /nfs/dbraw/zinc/57/10/06/944571006.db2.gz AYRNGDOKDACGBJ-PELKAZGASA-N 1 2 292.162 1.484 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C[C@@H]1O ZINC001236792061 944571011 /nfs/dbraw/zinc/57/10/11/944571011.db2.gz AYRNGDOKDACGBJ-PELKAZGASA-N 1 2 292.162 1.484 20 10 CDCDLO CNC(=O)C[N@H+](C)Cc1ccc(OC)c(Cl)c1O ZINC001236801172 944574049 /nfs/dbraw/zinc/57/40/49/944574049.db2.gz GWHYLBKESZTSMV-UHFFFAOYSA-N 1 2 272.732 1.232 20 10 CDCDLO CNC(=O)C[N@@H+](C)Cc1ccc(OC)c(Cl)c1O ZINC001236801172 944574054 /nfs/dbraw/zinc/57/40/54/944574054.db2.gz GWHYLBKESZTSMV-UHFFFAOYSA-N 1 2 272.732 1.232 20 10 CDCDLO COc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c(OC)c1 ZINC001237678953 944924222 /nfs/dbraw/zinc/92/42/22/944924222.db2.gz QUQCXIJKBHVNMO-TXEJJXNPSA-N 1 2 265.309 1.383 20 10 CDCDLO COc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c(OC)c1 ZINC001237678953 944924233 /nfs/dbraw/zinc/92/42/33/944924233.db2.gz QUQCXIJKBHVNMO-TXEJJXNPSA-N 1 2 265.309 1.383 20 10 CDCDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(N)cc1 ZINC001335737233 959999970 /nfs/dbraw/zinc/99/99/70/959999970.db2.gz MZSFRINKYWQRNJ-UHFFFAOYSA-N 1 2 287.367 1.697 20 10 CDCDLO CC(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179867181 357228135 /nfs/dbraw/zinc/22/81/35/357228135.db2.gz FRVSSAIKFWTBIL-UHFFFAOYSA-N 1 2 252.289 1.195 20 10 CDCDLO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1O ZINC000187776910 357805442 /nfs/dbraw/zinc/80/54/42/357805442.db2.gz ROQQTUYGAALLRK-IUCAKERBSA-N 1 2 294.305 1.928 20 10 CDCDLO CCN(CCO)CC[NH2+]Cc1cccc(Cl)c1O ZINC000187569471 357780503 /nfs/dbraw/zinc/78/05/03/357780503.db2.gz FLQRTDJJLVWFMO-UHFFFAOYSA-N 1 2 272.776 1.449 20 10 CDCDLO COCCOCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191220134 358119844 /nfs/dbraw/zinc/11/98/44/358119844.db2.gz USLXBOWMQQDSGN-SECBINFHSA-N 1 2 275.295 1.984 20 10 CDCDLO COc1cc(Cl)cc(C[NH+]2CC(NC(C)=O)C2)c1O ZINC000297517756 200216169 /nfs/dbraw/zinc/21/61/69/200216169.db2.gz WMNQKUREIOAKCS-UHFFFAOYSA-N 1 2 284.743 1.375 20 10 CDCDLO C[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000124505265 360373921 /nfs/dbraw/zinc/37/39/21/360373921.db2.gz HDCNJBFCRJDIMC-JTQLQIEISA-N 1 2 289.784 1.665 20 10 CDCDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000124505265 360373922 /nfs/dbraw/zinc/37/39/22/360373922.db2.gz HDCNJBFCRJDIMC-JTQLQIEISA-N 1 2 289.784 1.665 20 10 CDCDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000128860469 360766055 /nfs/dbraw/zinc/76/60/55/360766055.db2.gz BUGTZAVRMQNBNM-LLVKDONJSA-N 1 2 292.335 1.221 20 10 CDCDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000128860469 360766059 /nfs/dbraw/zinc/76/60/59/360766059.db2.gz BUGTZAVRMQNBNM-LLVKDONJSA-N 1 2 292.335 1.221 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000271157650 364949820 /nfs/dbraw/zinc/94/98/20/364949820.db2.gz BUNHZIDHNPJYGJ-GFCCVEGCSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)CCO1 ZINC000271157650 364949826 /nfs/dbraw/zinc/94/98/26/364949826.db2.gz BUNHZIDHNPJYGJ-GFCCVEGCSA-N 1 2 295.335 1.165 20 10 CDCDLO CC(=O)NC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000271173743 364961054 /nfs/dbraw/zinc/96/10/54/364961054.db2.gz ISBHTJFARAKVAR-LLVKDONJSA-N 1 2 298.770 1.383 20 10 CDCDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000271173743 364961058 /nfs/dbraw/zinc/96/10/58/364961058.db2.gz ISBHTJFARAKVAR-LLVKDONJSA-N 1 2 298.770 1.383 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c1 ZINC000271832603 365000947 /nfs/dbraw/zinc/00/09/47/365000947.db2.gz PEACBPYFQVZLNT-BFKGZMGPSA-N 1 2 283.393 1.742 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c1 ZINC000271832603 365000949 /nfs/dbraw/zinc/00/09/49/365000949.db2.gz PEACBPYFQVZLNT-BFKGZMGPSA-N 1 2 283.393 1.742 20 10 CDCDLO Cc1cc(O)c(C[N@@H+](C)Cc2nncn2C)cc1C ZINC000288659058 369480233 /nfs/dbraw/zinc/48/02/33/369480233.db2.gz RKYGUKGSRLZNGX-UHFFFAOYSA-N 1 2 260.341 1.770 20 10 CDCDLO Cc1cc(O)c(C[N@H+](C)Cc2nncn2C)cc1C ZINC000288659058 369480236 /nfs/dbraw/zinc/48/02/36/369480236.db2.gz RKYGUKGSRLZNGX-UHFFFAOYSA-N 1 2 260.341 1.770 20 10 CDCDLO O=C1CO[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]2N1 ZINC000366774111 374169337 /nfs/dbraw/zinc/16/93/37/374169337.db2.gz LHKYPXVQCSBNNZ-RYUDHWBXSA-N 1 2 296.754 1.135 20 10 CDCDLO O=C1CO[C@H]2CC[N@H+](Cc3cccc(Cl)c3O)C[C@@H]2N1 ZINC000366774111 374169341 /nfs/dbraw/zinc/16/93/41/374169341.db2.gz LHKYPXVQCSBNNZ-RYUDHWBXSA-N 1 2 296.754 1.135 20 10 CDCDLO OCCCN1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000295209138 378661466 /nfs/dbraw/zinc/66/14/66/378661466.db2.gz ZTOIXHOVTIENGS-ZDUSSCGKSA-N 1 2 298.814 1.982 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+](C)Cc2nncn2C)c1O ZINC000290059832 391989931 /nfs/dbraw/zinc/98/99/31/391989931.db2.gz FEDIWIAYALTIPF-UHFFFAOYSA-N 1 2 296.758 1.815 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+](C)Cc2nncn2C)c1O ZINC000290059832 391989938 /nfs/dbraw/zinc/98/99/38/391989938.db2.gz FEDIWIAYALTIPF-UHFFFAOYSA-N 1 2 296.758 1.815 20 10 CDCDLO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000164408314 261350620 /nfs/dbraw/zinc/35/06/20/261350620.db2.gz VXUWULBFUOZIKV-PWJLMRLQSA-N 1 2 261.774 1.902 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2CCNC(=O)CC2)c1O ZINC000184688995 262025785 /nfs/dbraw/zinc/02/57/85/262025785.db2.gz NBMJMVPIHRGEBG-UHFFFAOYSA-N 1 2 284.743 1.376 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2CCNC(=O)CC2)c1O ZINC000184688995 262025788 /nfs/dbraw/zinc/02/57/88/262025788.db2.gz NBMJMVPIHRGEBG-UHFFFAOYSA-N 1 2 284.743 1.376 20 10 CDCDLO NC(=O)[C@H]1Cc2ccccc2N(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492765267 332412480 /nfs/dbraw/zinc/41/24/80/332412480.db2.gz LPKXWUUVBUZRCK-FJOGCWAESA-N 1 2 296.330 1.114 20 10 CDCDLO CC(=O)NC1C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000291452179 519649452 /nfs/dbraw/zinc/64/94/52/519649452.db2.gz MCOVQFVNACFHCQ-UHFFFAOYSA-N 1 2 254.717 1.366 20 10 CDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1c(O)cccc1Cl ZINC000130614253 521639261 /nfs/dbraw/zinc/63/92/61/521639261.db2.gz BFLSJSUXEVAEBM-UHFFFAOYSA-N 1 2 291.800 1.912 20 10 CDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1c(O)cccc1Cl ZINC000130614253 521639264 /nfs/dbraw/zinc/63/92/64/521639264.db2.gz BFLSJSUXEVAEBM-UHFFFAOYSA-N 1 2 291.800 1.912 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[S@@](=O)C1 ZINC000277564691 524986856 /nfs/dbraw/zinc/98/68/56/524986856.db2.gz SDCZFIWAYYYFSV-CFMSYZGJSA-N 1 2 297.376 1.321 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[S@@](=O)C1 ZINC000277564691 524986868 /nfs/dbraw/zinc/98/68/68/524986868.db2.gz SDCZFIWAYYYFSV-CFMSYZGJSA-N 1 2 297.376 1.321 20 10 CDCDLO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cccc(Cl)c1O ZINC000228094329 525600551 /nfs/dbraw/zinc/60/05/51/525600551.db2.gz CKYGOYUEVKTCQZ-ZANVPECISA-N 1 2 271.744 1.675 20 10 CDCDLO O=C1OC[C@H]2C[N@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000769484456 576358499 /nfs/dbraw/zinc/35/84/99/576358499.db2.gz WQSOBRKNIVSFHW-SECBINFHSA-N 1 2 282.727 1.682 20 10 CDCDLO O=C1OC[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000769484456 576358500 /nfs/dbraw/zinc/35/85/00/576358500.db2.gz WQSOBRKNIVSFHW-SECBINFHSA-N 1 2 282.727 1.682 20 10 CDCDLO CC(=O)NCCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756371831 576987402 /nfs/dbraw/zinc/98/74/02/576987402.db2.gz NRPCFNFQLWLLDU-MRVPVSSYSA-N 1 2 272.295 1.847 20 10 CDCDLO C[C@H](CC(N)=O)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756661276 576999164 /nfs/dbraw/zinc/99/91/64/576999164.db2.gz QGMRSQSRROQTLO-RNFRBKRXSA-N 1 2 258.268 1.585 20 10 CDCDLO CN(C)c1cc(N(C)Cc2ccccc2O)nc[nH+]1 ZINC000893018948 618062384 /nfs/dbraw/zinc/06/23/84/618062384.db2.gz OANIKYJFQZWRNL-UHFFFAOYSA-N 1 2 258.325 1.885 20 10 CDCDLO CN(C)c1cc(N(C)Cc2ccccc2O)[nH+]cn1 ZINC000893018948 618062387 /nfs/dbraw/zinc/06/23/87/618062387.db2.gz OANIKYJFQZWRNL-UHFFFAOYSA-N 1 2 258.325 1.885 20 10 CDCDLO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898192444 621387790 /nfs/dbraw/zinc/38/77/90/621387790.db2.gz JFPNALVNFDEGQA-ZYHUDNBSSA-N 1 2 259.708 1.950 20 10 CDCDLO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898192444 621387794 /nfs/dbraw/zinc/38/77/94/621387794.db2.gz JFPNALVNFDEGQA-ZYHUDNBSSA-N 1 2 259.708 1.950 20 10 CDCDLO Cc1[nH]c(/C=C2/SC(N3CCOCC3)=NC2=O)[nH+]c1C ZINC000901441427 624253054 /nfs/dbraw/zinc/25/30/54/624253054.db2.gz BGKJQOVYWGBPPH-JXMROGBWSA-N 1 2 292.364 1.329 20 10 CDCDLO C[C@H]([NH2+][C@@H]1C=CCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589952016 1173210039 /nfs/dbraw/zinc/21/00/39/1173210039.db2.gz MYMNYXYZPVEEHV-VHSXEESVSA-N 1 2 271.324 1.942 20 10 CDCDLO [NH3+]CCN(CCO)Cc1cc(Cl)cc(Cl)c1O ZINC000841059792 742849714 /nfs/dbraw/zinc/84/97/14/742849714.db2.gz XBHPGRUWJMRIOV-UHFFFAOYSA-N 1 2 279.167 1.452 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](O)CC ZINC000823582138 743012828 /nfs/dbraw/zinc/01/28/28/743012828.db2.gz ZNBFCUGODHGANC-CYBMUJFWSA-N 1 2 281.352 1.528 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](O)CC ZINC000823582138 743012838 /nfs/dbraw/zinc/01/28/38/743012838.db2.gz ZNBFCUGODHGANC-CYBMUJFWSA-N 1 2 281.352 1.528 20 10 CDCDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816612597 743072479 /nfs/dbraw/zinc/07/24/79/743072479.db2.gz UCNXGFLWHCCVKH-MRVPVSSYSA-N 1 2 286.734 1.895 20 10 CDCDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816612597 743072495 /nfs/dbraw/zinc/07/24/95/743072495.db2.gz UCNXGFLWHCCVKH-MRVPVSSYSA-N 1 2 286.734 1.895 20 10 CDCDLO CCn1ncnc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000794843739 743110196 /nfs/dbraw/zinc/11/01/96/743110196.db2.gz XRBQHGGVRLKLQV-VIFPVBQESA-N 1 2 264.304 1.994 20 10 CDCDLO C[C@H](CNC(=O)C1=CC(=O)CS1)Cn1cc[nH+]c1 ZINC000828404218 743483943 /nfs/dbraw/zinc/48/39/43/743483943.db2.gz PUKDWMZYOCLAOR-SECBINFHSA-N 1 2 265.338 1.716 20 10 CDCDLO COc1cccc(CNCC[N@@H+](C)C(C)C)c1O ZINC000054110903 745246389 /nfs/dbraw/zinc/24/63/89/745246389.db2.gz QCIXFDGIMRGDRK-UHFFFAOYSA-N 1 2 252.358 1.831 20 10 CDCDLO COc1cccc(CNCC[N@H+](C)C(C)C)c1O ZINC000054110903 745246384 /nfs/dbraw/zinc/24/63/84/745246384.db2.gz QCIXFDGIMRGDRK-UHFFFAOYSA-N 1 2 252.358 1.831 20 10 CDCDLO CN1CCC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1=O ZINC000776230798 745281302 /nfs/dbraw/zinc/28/13/02/745281302.db2.gz AKXICCDEJFMNJL-NSHDSACASA-N 1 2 286.734 1.895 20 10 CDCDLO COc1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(O)c1 ZINC000848022425 746327405 /nfs/dbraw/zinc/32/74/05/746327405.db2.gz ATPJKSJOUAZTAO-SNVBAGLBSA-N 1 2 289.335 1.619 20 10 CDCDLO COc1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(O)c1 ZINC000848022425 746327410 /nfs/dbraw/zinc/32/74/10/746327410.db2.gz ATPJKSJOUAZTAO-SNVBAGLBSA-N 1 2 289.335 1.619 20 10 CDCDLO CCOC(=O)[C@H]([NH2+]Cc1ccccc1O)[C@H]1CCCOC1 ZINC000789578877 746397925 /nfs/dbraw/zinc/39/79/25/746397925.db2.gz DBKIMFJNWNZIGM-DZGCQCFKSA-N 1 2 293.363 1.840 20 10 CDCDLO CC[N@H+](CC(=O)NC)Cc1c(O)cccc1Cl ZINC000132619091 746511119 /nfs/dbraw/zinc/51/11/19/746511119.db2.gz WHKMWXUQMSPBJR-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO CC[N@@H+](CC(=O)NC)Cc1c(O)cccc1Cl ZINC000132619091 746511120 /nfs/dbraw/zinc/51/11/20/746511120.db2.gz WHKMWXUQMSPBJR-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876580344 747486363 /nfs/dbraw/zinc/48/63/63/747486363.db2.gz JQYXJCUSFUABSE-NSHDSACASA-N 1 2 284.306 1.771 20 10 CDCDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876580344 747486381 /nfs/dbraw/zinc/48/63/81/747486381.db2.gz JQYXJCUSFUABSE-NSHDSACASA-N 1 2 284.306 1.771 20 10 CDCDLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(N)cc1 ZINC000877074381 747665370 /nfs/dbraw/zinc/66/53/70/747665370.db2.gz IITCGKQKLKQCMQ-NSHDSACASA-N 1 2 270.336 1.691 20 10 CDCDLO C[N@H+](Cc1nnc2n1CCOC2)Cc1ccccc1O ZINC000797972978 747828593 /nfs/dbraw/zinc/82/85/93/747828593.db2.gz JEELQCVDLLHDPU-UHFFFAOYSA-N 1 2 274.324 1.146 20 10 CDCDLO C[N@@H+](Cc1nnc2n1CCOC2)Cc1ccccc1O ZINC000797972978 747828595 /nfs/dbraw/zinc/82/85/95/747828595.db2.gz JEELQCVDLLHDPU-UHFFFAOYSA-N 1 2 274.324 1.146 20 10 CDCDLO COc1ccc(CNC(=O)NCc2c[nH+]cn2C)c(O)c1 ZINC000811924605 748815622 /nfs/dbraw/zinc/81/56/22/748815622.db2.gz BWBCRPOCEUSOBG-UHFFFAOYSA-N 1 2 290.323 1.134 20 10 CDCDLO Oc1ccccc1C[N@@H+](Cc1cnon1)C[C@@H]1CCCO1 ZINC000851840931 748984849 /nfs/dbraw/zinc/98/48/49/748984849.db2.gz MCLDPDXGICVZTC-AWEZNQCLSA-N 1 2 289.335 1.956 20 10 CDCDLO Oc1ccccc1C[N@H+](Cc1cnon1)C[C@@H]1CCCO1 ZINC000851840931 748984858 /nfs/dbraw/zinc/98/48/58/748984858.db2.gz MCLDPDXGICVZTC-AWEZNQCLSA-N 1 2 289.335 1.956 20 10 CDCDLO C[C@@]1(CO)CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582872 896961910 /nfs/dbraw/zinc/96/19/10/896961910.db2.gz OINQBCXJHBYJPP-CYBMUJFWSA-N 1 2 257.280 1.875 20 10 CDCDLO C[C@@]1(CO)CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582872 896961914 /nfs/dbraw/zinc/96/19/14/896961914.db2.gz OINQBCXJHBYJPP-CYBMUJFWSA-N 1 2 257.280 1.875 20 10 CDCDLO Oc1ccc(O)c(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c1 ZINC001141155967 899822535 /nfs/dbraw/zinc/82/25/35/899822535.db2.gz CBIOVWCEJDNPIU-STQMWFEESA-N 1 2 273.279 1.342 20 10 CDCDLO Oc1ccc(O)c(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)c1 ZINC001141155967 899822543 /nfs/dbraw/zinc/82/25/43/899822543.db2.gz CBIOVWCEJDNPIU-STQMWFEESA-N 1 2 273.279 1.342 20 10 CDCDLO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142520599 908847939 /nfs/dbraw/zinc/84/79/39/908847939.db2.gz MAMYCVWIQZMNNY-NSHDSACASA-N 1 2 284.306 1.771 20 10 CDCDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142520599 908847951 /nfs/dbraw/zinc/84/79/51/908847951.db2.gz MAMYCVWIQZMNNY-NSHDSACASA-N 1 2 284.306 1.771 20 10 CDCDLO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142527504 908869147 /nfs/dbraw/zinc/86/91/47/908869147.db2.gz XFTMATOSSOQUGG-MSRIBSCDSA-N 1 2 297.301 1.911 20 10 CDCDLO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142527504 908869167 /nfs/dbraw/zinc/86/91/67/908869167.db2.gz XFTMATOSSOQUGG-MSRIBSCDSA-N 1 2 297.301 1.911 20 10 CDCDLO COCCOC1C[NH+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673544 936634874 /nfs/dbraw/zinc/63/48/74/936634874.db2.gz DNNNVSZFVHSXMN-UHFFFAOYSA-N 1 2 278.396 1.908 20 10 CDCDLO COC[C@H]1COCC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140341746 936703505 /nfs/dbraw/zinc/70/35/05/936703505.db2.gz FXVLEROGCIVGQY-JTQLQIEISA-N 1 2 271.744 1.893 20 10 CDCDLO COC[C@H]1COCC[N@H+]1Cc1c(O)cccc1Cl ZINC001140341746 936703506 /nfs/dbraw/zinc/70/35/06/936703506.db2.gz FXVLEROGCIVGQY-JTQLQIEISA-N 1 2 271.744 1.893 20 10 CDCDLO Oc1cc(F)cc(F)c1C[N@H+]1CCc2nncn2CC1 ZINC001140583095 936727995 /nfs/dbraw/zinc/72/79/95/936727995.db2.gz WCEOHAFVYRZRMH-UHFFFAOYSA-N 1 2 280.278 1.320 20 10 CDCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCc2nncn2CC1 ZINC001140583095 936727997 /nfs/dbraw/zinc/72/79/97/936727997.db2.gz WCEOHAFVYRZRMH-UHFFFAOYSA-N 1 2 280.278 1.320 20 10 CDCDLO CCOC1C[NH+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141139824 936818808 /nfs/dbraw/zinc/81/88/08/936818808.db2.gz CQECMRCNAORRQU-UHFFFAOYSA-N 1 2 262.353 1.736 20 10 CDCDLO NC(=O)c1c[nH]c2nc[nH+]c(NCc3ccc(O)c(O)c3)c12 ZINC001169993136 928879610 /nfs/dbraw/zinc/87/96/10/928879610.db2.gz OKDKSIFJCAYADG-UHFFFAOYSA-N 1 2 299.290 1.032 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cc1F ZINC000817412863 930529569 /nfs/dbraw/zinc/52/95/69/930529569.db2.gz PTBNFUSBLWOFPB-ZDUSSCGKSA-N 1 2 296.386 1.863 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)cc1F ZINC000817412863 930529573 /nfs/dbraw/zinc/52/95/73/930529573.db2.gz PTBNFUSBLWOFPB-ZDUSSCGKSA-N 1 2 296.386 1.863 20 10 CDCDLO COc1ccc(C[N@@H+]2CCn3nccc3C2)c(O)c1 ZINC001203634857 939699033 /nfs/dbraw/zinc/69/90/33/939699033.db2.gz YMWXEQJUBUFVKZ-UHFFFAOYSA-N 1 2 259.309 1.613 20 10 CDCDLO COc1ccc(C[N@H+]2CCn3nccc3C2)c(O)c1 ZINC001203634857 939699035 /nfs/dbraw/zinc/69/90/35/939699035.db2.gz YMWXEQJUBUFVKZ-UHFFFAOYSA-N 1 2 259.309 1.613 20 10 CDCDLO CC(C)(C)OC(=O)NC1C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204271992 939750420 /nfs/dbraw/zinc/75/04/20/939750420.db2.gz FZAFEMXLHWUHKX-UHFFFAOYSA-N 1 2 294.351 1.807 20 10 CDCDLO C[C@H]1CC[C@@H](C[NH3+])N1Cc1c(F)ccc(F)c1O ZINC001205068715 939819676 /nfs/dbraw/zinc/81/96/76/939819676.db2.gz MXVGEHYQUOJMMG-IUCAKERBSA-N 1 2 256.296 1.982 20 10 CDCDLO Cc1cc(F)cc(CN2CC[NH2+]CC(F)(F)C2)c1O ZINC001211346596 940749146 /nfs/dbraw/zinc/74/91/46/940749146.db2.gz IVOVHNTUYAPQIR-UHFFFAOYSA-N 1 2 274.286 1.880 20 10 CDCDLO COc1ccc(N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)cc1 ZINC001276924917 941702050 /nfs/dbraw/zinc/70/20/50/941702050.db2.gz SBHKYPUVZJWGOS-UHFFFAOYSA-N 1 2 284.363 1.741 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCOC[C@H]1C ZINC001231848028 943028476 /nfs/dbraw/zinc/02/84/76/943028476.db2.gz DVNVAEOKPWYMDP-GFCCVEGCSA-N 1 2 264.369 1.982 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCOC[C@H]1C ZINC001231848028 943028488 /nfs/dbraw/zinc/02/84/88/943028488.db2.gz DVNVAEOKPWYMDP-GFCCVEGCSA-N 1 2 264.369 1.982 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](OC)[C@@H](F)C1 ZINC001231849747 943029702 /nfs/dbraw/zinc/02/97/02/943029702.db2.gz YDHUKBZFLNRKKV-DZGCQCFKSA-N 1 2 282.359 1.930 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](OC)[C@@H](F)C1 ZINC001231849747 943029706 /nfs/dbraw/zinc/02/97/06/943029706.db2.gz YDHUKBZFLNRKKV-DZGCQCFKSA-N 1 2 282.359 1.930 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2C[C@@H](F)[C@@H](F)C2)c(O)c1 ZINC001232836834 943414024 /nfs/dbraw/zinc/41/40/24/943414024.db2.gz UYSIKGOQQMGMBJ-TXEJJXNPSA-N 1 2 256.296 1.950 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2C[C@@H](F)[C@@H](F)C2)c(O)c1 ZINC001232836834 943414027 /nfs/dbraw/zinc/41/40/27/943414027.db2.gz UYSIKGOQQMGMBJ-TXEJJXNPSA-N 1 2 256.296 1.950 20 10 CDCDLO C[C@H]1CN(Cc2c(F)ccc(F)c2O)C[C@H](C)[NH2+]1 ZINC001236575899 944512287 /nfs/dbraw/zinc/51/22/87/944512287.db2.gz BNHHUNGHVBPLAL-IUCAKERBSA-N 1 2 256.296 1.853 20 10 CDCDLO COc1ccc(C[NH+]2CC(C)(CO)C2)c(O)c1Cl ZINC001236801499 944573039 /nfs/dbraw/zinc/57/30/39/944573039.db2.gz KKAQIDBWRAWMNB-UHFFFAOYSA-N 1 2 271.744 1.868 20 10 CDCDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H]1CCOC1 ZINC001308354933 956520737 /nfs/dbraw/zinc/52/07/37/956520737.db2.gz UFWVTFMRFMNMKX-QPUJVOFHSA-N 1 2 289.734 1.672 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(F)cc1O ZINC001320702291 959338810 /nfs/dbraw/zinc/33/88/10/959338810.db2.gz QNSMYNNDIQXQDM-SECBINFHSA-N 1 2 292.314 1.504 20 10 CDCDLO O=C(NCc1cccc(O)c1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001349079975 966264751 /nfs/dbraw/zinc/26/47/51/966264751.db2.gz VEEXHXYDTCBHKO-SNVBAGLBSA-N 1 2 287.319 1.173 20 10 CDCDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000268489038 364054928 /nfs/dbraw/zinc/05/49/28/364054928.db2.gz UTXCBZNKXRRBEH-SNVBAGLBSA-N 1 2 295.335 1.893 20 10 CDCDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000268489038 364054933 /nfs/dbraw/zinc/05/49/33/364054933.db2.gz UTXCBZNKXRRBEH-SNVBAGLBSA-N 1 2 295.335 1.893 20 10 CDCDLO CCOC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000529664831 368087273 /nfs/dbraw/zinc/08/72/73/368087273.db2.gz DYNQSYOXTJQTSO-ZDUSSCGKSA-N 1 2 269.316 1.769 20 10 CDCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000529664831 368087278 /nfs/dbraw/zinc/08/72/78/368087278.db2.gz DYNQSYOXTJQTSO-ZDUSSCGKSA-N 1 2 269.316 1.769 20 10 CDCDLO CN(C)c1ccc(CN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC000073172393 522166331 /nfs/dbraw/zinc/16/63/31/522166331.db2.gz CMFOHUDVMSDXMR-UHFFFAOYSA-N 1 2 272.352 1.608 20 10 CDCDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ncn(C)n1 ZINC000275386883 525525777 /nfs/dbraw/zinc/52/57/77/525525777.db2.gz AMFBCXQBVLMTOZ-SNVBAGLBSA-N 1 2 277.347 1.871 20 10 CDCDLO OCC(F)(F)C[NH2+]Cc1c(O)cccc1Cl ZINC000231777040 527520630 /nfs/dbraw/zinc/52/06/30/527520630.db2.gz SOJDTKHDDLUSAI-UHFFFAOYSA-N 1 2 251.660 1.763 20 10 CDCDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770352543 575440239 /nfs/dbraw/zinc/44/02/39/575440239.db2.gz OWVVWOCOQJAGHR-YPMHNXCESA-N 1 2 282.359 1.473 20 10 CDCDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770352543 575440242 /nfs/dbraw/zinc/44/02/42/575440242.db2.gz OWVVWOCOQJAGHR-YPMHNXCESA-N 1 2 282.359 1.473 20 10 CDCDLO CCOC(=O)C[N@H+](CC)Cc1c(O)cccc1OC ZINC000769005725 576321779 /nfs/dbraw/zinc/32/17/79/576321779.db2.gz NJICLCTUIQKHRP-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CCOC(=O)C[N@@H+](CC)Cc1c(O)cccc1OC ZINC000769005725 576321780 /nfs/dbraw/zinc/32/17/80/576321780.db2.gz NJICLCTUIQKHRP-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO O=C(NCc1ccc(O)cc1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000910949292 629114252 /nfs/dbraw/zinc/11/42/52/629114252.db2.gz HRHZZGDAQJWUNK-SNVBAGLBSA-N 1 2 287.319 1.173 20 10 CDCDLO CN1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2C1=O ZINC001237619107 1167395246 /nfs/dbraw/zinc/39/52/46/1167395246.db2.gz MTRLOVOPHQFCNV-KOLCDFICSA-N 1 2 298.745 1.705 20 10 CDCDLO CN1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2C1=O ZINC001237619107 1167395253 /nfs/dbraw/zinc/39/52/53/1167395253.db2.gz MTRLOVOPHQFCNV-KOLCDFICSA-N 1 2 298.745 1.705 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000785827614 751752282 /nfs/dbraw/zinc/75/22/82/751752282.db2.gz OZAXOBOXWIKEPK-UHFFFAOYSA-N 1 2 257.341 1.429 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000785827614 751752326 /nfs/dbraw/zinc/75/23/26/751752326.db2.gz OZAXOBOXWIKEPK-UHFFFAOYSA-N 1 2 257.341 1.429 20 10 CDCDLO CCN(C)C(=O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776013244 751838908 /nfs/dbraw/zinc/83/89/08/751838908.db2.gz MERQLOPLTOAVMO-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO Nc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000876504334 751854121 /nfs/dbraw/zinc/85/41/21/751854121.db2.gz MXBAIKVZGZAKQY-OWOJBTEDSA-N 1 2 261.325 1.096 20 10 CDCDLO C[NH+](C)C[C@H]1CN(Cc2ccc(F)c(F)c2O)CCO1 ZINC000876516826 751894344 /nfs/dbraw/zinc/89/43/44/751894344.db2.gz WBHMBYQBTCHGRY-NSHDSACASA-N 1 2 286.322 1.433 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CCn3cncc3C2)c1O ZINC000811786928 749706234 /nfs/dbraw/zinc/70/62/34/749706234.db2.gz AHXPQLCXTUCLDT-UHFFFAOYSA-N 1 2 273.336 1.922 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CCn3cncc3C2)c1O ZINC000811786928 749706243 /nfs/dbraw/zinc/70/62/43/749706243.db2.gz AHXPQLCXTUCLDT-UHFFFAOYSA-N 1 2 273.336 1.922 20 10 CDCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)NCCF ZINC000800530835 749869861 /nfs/dbraw/zinc/86/98/61/749869861.db2.gz VZWCFQKQXSRZJE-SSDOTTSWSA-N 1 2 292.713 1.749 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3cn(C)cn3)CC2)cc1 ZINC000851713305 750101292 /nfs/dbraw/zinc/10/12/92/750101292.db2.gz AVQSFFJMVYETJH-UHFFFAOYSA-N 1 2 286.379 1.751 20 10 CDCDLO C[N@H+]1CCN(Cc2cc(Cl)cc(F)c2O)[C@@H](CO)C1 ZINC000877644928 752887684 /nfs/dbraw/zinc/88/76/84/752887684.db2.gz VVUYRSJYCQSKKI-LLVKDONJSA-N 1 2 288.750 1.293 20 10 CDCDLO C[S@](=O)CCC[NH2+]Cc1cccc(Cl)c1O ZINC000162664882 751264816 /nfs/dbraw/zinc/26/48/16/751264816.db2.gz XTFBZENVRMTYHW-MRXNPFEDSA-N 1 2 261.774 1.904 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1[NH3+] ZINC000843121015 751322423 /nfs/dbraw/zinc/32/24/23/751322423.db2.gz YLVNGIBHDVPRAO-RHSMWYFYSA-N 1 2 288.439 1.217 20 10 CDCDLO C[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2O)[C@@H](CO)C1 ZINC000877644928 752887679 /nfs/dbraw/zinc/88/76/79/752887679.db2.gz VVUYRSJYCQSKKI-LLVKDONJSA-N 1 2 288.750 1.293 20 10 CDCDLO C[C@@H]([NH2+]CCO)c1cc(Br)cc(F)c1O ZINC000134910871 753331545 /nfs/dbraw/zinc/33/15/45/753331545.db2.gz FSPOTOMGJQAZGY-ZCFIWIBFSA-N 1 2 278.121 1.937 20 10 CDCDLO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(O)[nH]c(=O)c1)C2 ZINC001269919616 904208393 /nfs/dbraw/zinc/20/83/93/904208393.db2.gz SRYNDPZEGZZJBQ-OAHLLOKOSA-N 1 2 291.351 1.051 20 10 CDCDLO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(O)[nH]c(=O)c1)C2 ZINC001269919616 904208404 /nfs/dbraw/zinc/20/84/04/904208404.db2.gz SRYNDPZEGZZJBQ-OAHLLOKOSA-N 1 2 291.351 1.051 20 10 CDCDLO Cc1c(C[N@@H+]2CCNC(=O)C2)c2ccccc2n1C ZINC001138252530 936501408 /nfs/dbraw/zinc/50/14/08/936501408.db2.gz KDACUDZGAUQOOO-UHFFFAOYSA-N 1 2 257.337 1.419 20 10 CDCDLO Cc1c(C[N@H+]2CCNC(=O)C2)c2ccccc2n1C ZINC001138252530 936501411 /nfs/dbraw/zinc/50/14/11/936501411.db2.gz KDACUDZGAUQOOO-UHFFFAOYSA-N 1 2 257.337 1.419 20 10 CDCDLO COC[C@]12COC[C@H]1C[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140580462 936727269 /nfs/dbraw/zinc/72/72/69/936727269.db2.gz DDLPIAQTZZXDHR-MEBBXXQBSA-N 1 2 299.317 1.765 20 10 CDCDLO COC[C@]12COC[C@H]1C[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140580462 936727270 /nfs/dbraw/zinc/72/72/70/936727270.db2.gz DDLPIAQTZZXDHR-MEBBXXQBSA-N 1 2 299.317 1.765 20 10 CDCDLO COc1cc(O)c(C[NH+]2CCOCC2)c(OC)c1 ZINC001141031709 936795997 /nfs/dbraw/zinc/79/59/97/936795997.db2.gz IREQGFRDFLLFGO-UHFFFAOYSA-N 1 2 253.298 1.242 20 10 CDCDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156528 936821479 /nfs/dbraw/zinc/82/14/79/936821479.db2.gz MNWUAEOTHUULRR-LBPRGKRZSA-N 1 2 265.309 1.625 20 10 CDCDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1O ZINC001141156528 936821480 /nfs/dbraw/zinc/82/14/80/936821480.db2.gz MNWUAEOTHUULRR-LBPRGKRZSA-N 1 2 265.309 1.625 20 10 CDCDLO CN1CCOc2cc(C[NH+]3CC(N4CC(F)C4)C3)ccc21 ZINC001141141267 936818914 /nfs/dbraw/zinc/81/89/14/936818914.db2.gz WJAKBUUALRMEQX-UHFFFAOYSA-N 1 2 291.370 1.353 20 10 CDCDLO OCC(F)(F)C[NH2+]Cc1ccc(Br)cc1O ZINC000691469050 928960711 /nfs/dbraw/zinc/96/07/11/928960711.db2.gz WOMKTARIIONBOB-UHFFFAOYSA-N 1 2 296.111 1.872 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2CCn3nccc3C2)c(O)c1 ZINC001144516076 931880209 /nfs/dbraw/zinc/88/02/09/931880209.db2.gz ONWIEJNEPDOERY-UHFFFAOYSA-N 1 2 261.281 1.016 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2CCn3nccc3C2)c(O)c1 ZINC001144516076 931880210 /nfs/dbraw/zinc/88/02/10/931880210.db2.gz ONWIEJNEPDOERY-UHFFFAOYSA-N 1 2 261.281 1.016 20 10 CDCDLO Oc1cc(O)c(C[NH+]2CCN(C3COC3)CC2)cc1Cl ZINC001232260405 943192054 /nfs/dbraw/zinc/19/20/54/943192054.db2.gz PQQCJYVSADQELG-UHFFFAOYSA-N 1 2 298.770 1.268 20 10 CDCDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233079432 943486860 /nfs/dbraw/zinc/48/68/60/943486860.db2.gz BYOOWOFDZNKSKR-JTQLQIEISA-N 1 2 299.321 1.564 20 10 CDCDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233079432 943486862 /nfs/dbraw/zinc/48/68/62/943486862.db2.gz BYOOWOFDZNKSKR-JTQLQIEISA-N 1 2 299.321 1.564 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(F)cc(C)c2O)CCO1 ZINC001238058218 945044358 /nfs/dbraw/zinc/04/43/58/945044358.db2.gz PLXJWODZVFHQKS-GFCCVEGCSA-N 1 2 283.299 1.214 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)cc(C)c2O)CCO1 ZINC001238058218 945044367 /nfs/dbraw/zinc/04/43/67/945044367.db2.gz PLXJWODZVFHQKS-GFCCVEGCSA-N 1 2 283.299 1.214 20 10 CDCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCOC[C@H](O)C1 ZINC000294748191 199164402 /nfs/dbraw/zinc/16/44/02/199164402.db2.gz HZFJADQGJUMVLG-SNVBAGLBSA-N 1 2 292.162 1.892 20 10 CDCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000294748191 199164404 /nfs/dbraw/zinc/16/44/04/199164404.db2.gz HZFJADQGJUMVLG-SNVBAGLBSA-N 1 2 292.162 1.892 20 10 CDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000093103148 360290319 /nfs/dbraw/zinc/29/03/19/360290319.db2.gz UOECOFYSRYGQQA-MNOVXSKESA-N 1 2 285.727 1.154 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+](CC(N)=O)C(C)(C)C)c1O ZINC000131297467 361069388 /nfs/dbraw/zinc/06/93/88/361069388.db2.gz NJBATCCWBVUKIG-UHFFFAOYSA-N 1 2 296.342 1.820 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+](CC(N)=O)C(C)(C)C)c1O ZINC000131297467 361069393 /nfs/dbraw/zinc/06/93/93/361069393.db2.gz NJBATCCWBVUKIG-UHFFFAOYSA-N 1 2 296.342 1.820 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000271179297 364962898 /nfs/dbraw/zinc/96/28/98/364962898.db2.gz LQCJQJCLWIYZOZ-VIFPVBQESA-N 1 2 257.717 1.239 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000271179297 364962901 /nfs/dbraw/zinc/96/29/01/364962901.db2.gz LQCJQJCLWIYZOZ-VIFPVBQESA-N 1 2 257.717 1.239 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cc([N+](=O)[O-])ccc1O ZINC000273612480 365513472 /nfs/dbraw/zinc/51/34/72/365513472.db2.gz WLNLURZVVYJSKD-BDAKNGLRSA-N 1 2 291.311 1.841 20 10 CDCDLO CCn1nc(C)c(C[N@H+](C)Cc2ccccc2O)n1 ZINC000294628211 371076456 /nfs/dbraw/zinc/07/64/56/371076456.db2.gz AFBMBXGCYPGDED-UHFFFAOYSA-N 1 2 260.341 1.944 20 10 CDCDLO CCn1nc(C)c(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000294628211 371076459 /nfs/dbraw/zinc/07/64/59/371076459.db2.gz AFBMBXGCYPGDED-UHFFFAOYSA-N 1 2 260.341 1.944 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000493294056 375435644 /nfs/dbraw/zinc/43/56/44/375435644.db2.gz VTAIDLSVYIUNJT-PLNGDYQASA-N 1 2 284.275 1.920 20 10 CDCDLO CN(C)C(=O)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000132125092 390931079 /nfs/dbraw/zinc/93/10/79/390931079.db2.gz HPVHGAFPVBBOAC-UHFFFAOYSA-N 1 2 256.733 1.566 20 10 CDCDLO CN(C)C(=O)C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000132125092 390931080 /nfs/dbraw/zinc/93/10/80/390931080.db2.gz HPVHGAFPVBBOAC-UHFFFAOYSA-N 1 2 256.733 1.566 20 10 CDCDLO COc1cc(O)c(C[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC000183460570 391264928 /nfs/dbraw/zinc/26/49/28/391264928.db2.gz PQBSHQNLYHTLDF-UHFFFAOYSA-N 1 2 294.351 1.074 20 10 CDCDLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000195008077 391374586 /nfs/dbraw/zinc/37/45/86/391374586.db2.gz KZXROHMHBBWUGF-KWQFWETISA-N 1 2 268.744 1.660 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H](CO)c2ccccc21 ZINC000493796440 393221672 /nfs/dbraw/zinc/22/16/72/393221672.db2.gz VKMAMEZREVRLGW-QRGHLMKCSA-N 1 2 269.304 1.546 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@H](CO)c2ccccc21 ZINC000493796437 393221959 /nfs/dbraw/zinc/22/19/59/393221959.db2.gz VKMAMEZREVRLGW-ISALQUGTSA-N 1 2 269.304 1.546 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000773889564 575843124 /nfs/dbraw/zinc/84/31/24/575843124.db2.gz XSSIPQJPDSKTHQ-LSDHHAIUSA-N 1 2 292.379 1.251 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)cc1 ZINC000773889564 575843125 /nfs/dbraw/zinc/84/31/25/575843125.db2.gz XSSIPQJPDSKTHQ-LSDHHAIUSA-N 1 2 292.379 1.251 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCO[C@H](C(=O)OC)C2)c(O)c1 ZINC000769333965 576347079 /nfs/dbraw/zinc/34/70/79/576347079.db2.gz WGZPPEBNNXBVLV-AWEZNQCLSA-N 1 2 295.335 1.165 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCO[C@H](C(=O)OC)C2)c(O)c1 ZINC000769333965 576347082 /nfs/dbraw/zinc/34/70/82/576347082.db2.gz WGZPPEBNNXBVLV-AWEZNQCLSA-N 1 2 295.335 1.165 20 10 CDCDLO CCOC(=O)[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000763271208 576728242 /nfs/dbraw/zinc/72/82/42/576728242.db2.gz FOGZUDJMXAWFDQ-SECBINFHSA-N 1 2 283.324 1.451 20 10 CDCDLO O=C(NCc1ccccc1O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000748345639 576906175 /nfs/dbraw/zinc/90/61/75/576906175.db2.gz GLCRVEYXOJPPBM-UHFFFAOYSA-N 1 2 294.314 1.903 20 10 CDCDLO COC[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)OC ZINC000757636899 577047342 /nfs/dbraw/zinc/04/73/42/577047342.db2.gz HILPQIFMQDRHAY-WPRPVWTQSA-N 1 2 275.295 1.982 20 10 CDCDLO COc1ccc(CNc2cc(N(C)C)nc[nH+]2)c(O)c1 ZINC000893638790 617773539 /nfs/dbraw/zinc/77/35/39/617773539.db2.gz ROEPEXZXVWOJJP-UHFFFAOYSA-N 1 2 274.324 1.869 20 10 CDCDLO COc1ccc(CNc2cc(N(C)C)[nH+]cn2)c(O)c1 ZINC000893638790 617773543 /nfs/dbraw/zinc/77/35/43/617773543.db2.gz ROEPEXZXVWOJJP-UHFFFAOYSA-N 1 2 274.324 1.869 20 10 CDCDLO Cc1[nH]c(CNC(=O)c2ccc(C)c(O)c2O)[nH+]c1C ZINC000900999045 623815360 /nfs/dbraw/zinc/81/53/60/623815360.db2.gz WWMANEOTRJTZLA-UHFFFAOYSA-N 1 2 275.308 1.676 20 10 CDCDLO O=C(CCn1cc[nH+]c1)NCCc1ccc(O)c(O)c1 ZINC000917355641 632200989 /nfs/dbraw/zinc/20/09/89/632200989.db2.gz YSUUQEIZRAKQEX-UHFFFAOYSA-N 1 2 275.308 1.043 20 10 CDCDLO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1c(O)cccc1F ZINC000886639423 754323826 /nfs/dbraw/zinc/32/38/26/754323826.db2.gz CZCCARMDQKSTKG-MWLCHTKSSA-N 1 2 279.315 1.649 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000783730649 755093743 /nfs/dbraw/zinc/09/37/43/755093743.db2.gz UEQSNPGVBPRCAT-LLVKDONJSA-N 1 2 278.352 1.453 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000783730649 755093748 /nfs/dbraw/zinc/09/37/48/755093748.db2.gz UEQSNPGVBPRCAT-LLVKDONJSA-N 1 2 278.352 1.453 20 10 CDCDLO CCN(C)c1ccc(C[N@H+](C)Cc2n[nH]c(=O)o2)cc1 ZINC000852188036 755221039 /nfs/dbraw/zinc/22/10/39/755221039.db2.gz FDPOTEVKPTUYNY-UHFFFAOYSA-N 1 2 276.340 1.863 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)cc1 ZINC000852188036 755221045 /nfs/dbraw/zinc/22/10/45/755221045.db2.gz FDPOTEVKPTUYNY-UHFFFAOYSA-N 1 2 276.340 1.863 20 10 CDCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@]1(CO)CCOC1 ZINC000862426785 755423896 /nfs/dbraw/zinc/42/38/96/755423896.db2.gz OHQCHGUXPCFFRY-ZDUSSCGKSA-N 1 2 289.734 1.768 20 10 CDCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@]1(CO)CCOC1 ZINC000862426785 755423904 /nfs/dbraw/zinc/42/39/04/755423904.db2.gz OHQCHGUXPCFFRY-ZDUSSCGKSA-N 1 2 289.734 1.768 20 10 CDCDLO Cc1nc(CC[NH2+][C@H](C)c2c(O)cccc2F)n[nH]1 ZINC000886587967 756659236 /nfs/dbraw/zinc/65/92/36/756659236.db2.gz IVNJHJCAIISBBZ-MRVPVSSYSA-N 1 2 264.304 1.851 20 10 CDCDLO CN1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CC1=O ZINC000776151663 758003413 /nfs/dbraw/zinc/00/34/13/758003413.db2.gz SCFLOAXTUIGIFD-VIFPVBQESA-N 1 2 272.707 1.505 20 10 CDCDLO COC[C@@]1(CO)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000825158687 758033968 /nfs/dbraw/zinc/03/39/68/758033968.db2.gz WIOMHQWEKSJGSD-AWEZNQCLSA-N 1 2 285.771 1.876 20 10 CDCDLO COC[C@@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000825158687 758033982 /nfs/dbraw/zinc/03/39/82/758033982.db2.gz WIOMHQWEKSJGSD-AWEZNQCLSA-N 1 2 285.771 1.876 20 10 CDCDLO OC[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC001237617195 1167395739 /nfs/dbraw/zinc/39/57/39/1167395739.db2.gz MOVCJBBACTZCSN-PELKAZGASA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC001237617195 1167395747 /nfs/dbraw/zinc/39/57/47/1167395747.db2.gz MOVCJBBACTZCSN-PELKAZGASA-N 1 2 289.734 1.360 20 10 CDCDLO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CC(=O)N1 ZINC001138354540 936525237 /nfs/dbraw/zinc/52/52/37/936525237.db2.gz MVSPWYZKKQCTSI-LBPRGKRZSA-N 1 2 273.380 1.389 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CC(=O)N1 ZINC001138354540 936525240 /nfs/dbraw/zinc/52/52/40/936525240.db2.gz MVSPWYZKKQCTSI-LBPRGKRZSA-N 1 2 273.380 1.389 20 10 CDCDLO O=C1COC[C@H]2C[N@H+](Cc3ccc(Cl)cc3O)CCN12 ZINC001140465409 936712717 /nfs/dbraw/zinc/71/27/17/936712717.db2.gz MEHBLUJBJLRRGD-GFCCVEGCSA-N 1 2 296.754 1.089 20 10 CDCDLO O=C1COC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3O)CCN12 ZINC001140465409 936712718 /nfs/dbraw/zinc/71/27/18/936712718.db2.gz MEHBLUJBJLRRGD-GFCCVEGCSA-N 1 2 296.754 1.089 20 10 CDCDLO COC(=O)N(C)CC[NH2+]Cc1cccc(Cl)c1O ZINC000689551763 936766793 /nfs/dbraw/zinc/76/67/93/936766793.db2.gz FNVSYJRXGANILS-UHFFFAOYSA-N 1 2 272.732 1.833 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC(N(C)C(C)=O)C2)c(OC)c1 ZINC001141028218 936793945 /nfs/dbraw/zinc/79/39/45/936793945.db2.gz GIOBZKHOQQWBFE-UHFFFAOYSA-N 1 2 294.351 1.072 20 10 CDCDLO CN1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H](C1)O2 ZINC001275906571 932123221 /nfs/dbraw/zinc/12/32/21/932123221.db2.gz HABVLAPPDUXNBK-BETUJISGSA-N 1 2 266.316 1.046 20 10 CDCDLO CN1C[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H](C1)O2 ZINC001275906571 932123224 /nfs/dbraw/zinc/12/32/24/932123224.db2.gz HABVLAPPDUXNBK-BETUJISGSA-N 1 2 266.316 1.046 20 10 CDCDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356620 934243098 /nfs/dbraw/zinc/24/30/98/934243098.db2.gz SHHJCDPJQUQODJ-GFCCVEGCSA-N 1 2 273.380 1.389 20 10 CDCDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356620 934243091 /nfs/dbraw/zinc/24/30/91/934243091.db2.gz SHHJCDPJQUQODJ-GFCCVEGCSA-N 1 2 273.380 1.389 20 10 CDCDLO Cc1c[nH+]c2cc(C(=O)NCc3c(O)cccc3O)ccn12 ZINC001156885588 938429077 /nfs/dbraw/zinc/42/90/77/938429077.db2.gz KWQSDPUHHSVZOO-UHFFFAOYSA-N 1 2 297.314 1.984 20 10 CDCDLO OC[C@H]1CCn2nccc2C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203880038 939710812 /nfs/dbraw/zinc/71/08/12/939710812.db2.gz ISJDBRLCHDFSCO-CYBMUJFWSA-N 1 2 289.335 1.061 20 10 CDCDLO OC[C@H]1CCn2nccc2C[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203880038 939710815 /nfs/dbraw/zinc/71/08/15/939710815.db2.gz ISJDBRLCHDFSCO-CYBMUJFWSA-N 1 2 289.335 1.061 20 10 CDCDLO C[N@H+](Cc1cc(O)c(O)c(O)c1)Cc1ccccn1 ZINC001233009765 943460916 /nfs/dbraw/zinc/46/09/16/943460916.db2.gz AKUULTSXYMFPEF-UHFFFAOYSA-N 1 2 260.293 1.830 20 10 CDCDLO C[N@@H+](Cc1cc(O)c(O)c(O)c1)Cc1ccccn1 ZINC001233009765 943460920 /nfs/dbraw/zinc/46/09/20/943460920.db2.gz AKUULTSXYMFPEF-UHFFFAOYSA-N 1 2 260.293 1.830 20 10 CDCDLO C[C@]1(CO)CC[N@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC001233076790 943485211 /nfs/dbraw/zinc/48/52/11/943485211.db2.gz VDWRATXWTBMETJ-SMDDNHRTSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@]1(CO)CC[N@@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC001233076790 943485215 /nfs/dbraw/zinc/48/52/15/943485215.db2.gz VDWRATXWTBMETJ-SMDDNHRTSA-N 1 2 287.306 1.236 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233331772 943545428 /nfs/dbraw/zinc/54/54/28/943545428.db2.gz KCNNTAYSASJFNQ-VIFPVBQESA-N 1 2 256.252 1.120 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233331772 943545430 /nfs/dbraw/zinc/54/54/30/943545430.db2.gz KCNNTAYSASJFNQ-VIFPVBQESA-N 1 2 256.252 1.120 20 10 CDCDLO O=C1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1F ZINC001233483289 943592411 /nfs/dbraw/zinc/59/24/11/943592411.db2.gz UNPHQDXVAFDJGZ-VIFPVBQESA-N 1 2 269.272 1.306 20 10 CDCDLO O=C1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1F ZINC001233483289 943592415 /nfs/dbraw/zinc/59/24/15/943592415.db2.gz UNPHQDXVAFDJGZ-VIFPVBQESA-N 1 2 269.272 1.306 20 10 CDCDLO [NH3+][C@@]12CC[C@H]1CN(Cc1c(F)ccc(F)c1O)C2 ZINC001235992103 944358049 /nfs/dbraw/zinc/35/80/49/944358049.db2.gz LZQLWZYTPQWQJK-ISVAXAHUSA-N 1 2 254.280 1.594 20 10 CDCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCOC[C@@H](O)C1 ZINC001237122355 944660997 /nfs/dbraw/zinc/66/09/97/944660997.db2.gz UHUJTMOEYCKGPM-QMMMGPOBSA-N 1 2 275.707 1.378 20 10 CDCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCOC[C@@H](O)C1 ZINC001237122355 944661001 /nfs/dbraw/zinc/66/10/01/944661001.db2.gz UHUJTMOEYCKGPM-QMMMGPOBSA-N 1 2 275.707 1.378 20 10 CDCDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H]1CCOC1 ZINC001308354932 956522188 /nfs/dbraw/zinc/52/21/88/956522188.db2.gz UFWVTFMRFMNMKX-PRHODGIISA-N 1 2 289.734 1.672 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCc3ncncc3C1)[C@@H](O)CO2 ZINC001331066679 956800363 /nfs/dbraw/zinc/80/03/63/956800363.db2.gz NGHIRXZKQXPKFS-HNNXBMFYSA-N 1 2 299.330 1.166 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCc3ncncc3C1)[C@@H](O)CO2 ZINC001331066679 956800380 /nfs/dbraw/zinc/80/03/80/956800380.db2.gz NGHIRXZKQXPKFS-HNNXBMFYSA-N 1 2 299.330 1.166 20 10 CDCDLO COCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001605080203 1163444924 /nfs/dbraw/zinc/44/49/24/1163444924.db2.gz WSYWFGLONDFYSQ-ZJUUUORDSA-N 1 2 291.355 1.648 20 10 CDCDLO COC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000180175047 357249931 /nfs/dbraw/zinc/24/99/31/357249931.db2.gz RZQLHSRWYHWELY-GFCCVEGCSA-N 1 2 255.289 1.379 20 10 CDCDLO COC[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000180175047 357249933 /nfs/dbraw/zinc/24/99/33/357249933.db2.gz RZQLHSRWYHWELY-GFCCVEGCSA-N 1 2 255.289 1.379 20 10 CDCDLO Oc1c(Cl)cccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000294835966 199205132 /nfs/dbraw/zinc/20/51/32/199205132.db2.gz QMLLZKMZZCDSMX-JTQLQIEISA-N 1 2 257.717 1.239 20 10 CDCDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000294835966 199205134 /nfs/dbraw/zinc/20/51/34/199205134.db2.gz QMLLZKMZZCDSMX-JTQLQIEISA-N 1 2 257.717 1.239 20 10 CDCDLO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(F)c(F)c1O ZINC000278636940 299323165 /nfs/dbraw/zinc/32/31/65/299323165.db2.gz DDLYCFSKWRCKGO-UINNMSKDSA-N 1 2 287.306 1.861 20 10 CDCDLO CC(C)C(=O)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272306394 365182530 /nfs/dbraw/zinc/18/25/30/365182530.db2.gz QRYLOFBWPFYTRP-UHFFFAOYSA-N 1 2 280.343 1.832 20 10 CDCDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000282674061 367985413 /nfs/dbraw/zinc/98/54/13/367985413.db2.gz HTQDQZWDUQOFQC-VIFPVBQESA-N 1 2 289.784 1.665 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000135970954 375745902 /nfs/dbraw/zinc/74/59/02/375745902.db2.gz XNNQRVSCNAOUCG-LBPRGKRZSA-N 1 2 285.347 1.810 20 10 CDCDLO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1O)C(F)(F)F ZINC000270460552 391275600 /nfs/dbraw/zinc/27/56/00/391275600.db2.gz FMLAYVRLEXDVRV-SNVBAGLBSA-N 1 2 294.229 1.703 20 10 CDCDLO COc1ccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000493610091 393216200 /nfs/dbraw/zinc/21/62/00/393216200.db2.gz JIKNENDWXHGDAY-UTCJRWHESA-N 1 2 258.281 1.490 20 10 CDCDLO C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273407045 287030692 /nfs/dbraw/zinc/03/06/92/287030692.db2.gz OQSMHVNPVQJWRD-SNVBAGLBSA-N 1 2 276.296 1.848 20 10 CDCDLO COc1cc(O)c(C[NH2+]CC(F)(F)CO)cc1OC ZINC000185661907 262065520 /nfs/dbraw/zinc/06/55/20/262065520.db2.gz ZDUUCVUNZAWCPU-UHFFFAOYSA-N 1 2 277.267 1.127 20 10 CDCDLO O=S(=O)(C1CC1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000529640374 271012494 /nfs/dbraw/zinc/01/24/94/271012494.db2.gz MHDQIJVGKIGAMW-UHFFFAOYSA-N 1 2 296.392 1.002 20 10 CDCDLO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000275639451 334793084 /nfs/dbraw/zinc/79/30/84/334793084.db2.gz CJIAPHCZCZWKNF-UWVGGRQHSA-N 1 2 276.340 1.941 20 10 CDCDLO COc1c(O)c(C[N@H+](CC(N)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000278291659 521870213 /nfs/dbraw/zinc/87/02/13/521870213.db2.gz UVDKPYSFLVVPPN-UHFFFAOYSA-N 1 2 297.311 1.005 20 10 CDCDLO COc1c(O)c(C[N@@H+](CC(N)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000278291659 521870218 /nfs/dbraw/zinc/87/02/18/521870218.db2.gz UVDKPYSFLVVPPN-UHFFFAOYSA-N 1 2 297.311 1.005 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1ccc(N(C)C)c(F)c1 ZINC000126447252 523670445 /nfs/dbraw/zinc/67/04/45/523670445.db2.gz ISUWTDDPTDQADW-UHFFFAOYSA-N 1 2 298.358 1.513 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1ccc(N(C)C)c(F)c1 ZINC000126447252 523670454 /nfs/dbraw/zinc/67/04/54/523670454.db2.gz ISUWTDDPTDQADW-UHFFFAOYSA-N 1 2 298.358 1.513 20 10 CDCDLO COC(=O)C[C@]1([NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000768534039 576294247 /nfs/dbraw/zinc/29/42/47/576294247.db2.gz LKYYYUQTDFSEMW-CQSZACIVSA-N 1 2 299.754 1.857 20 10 CDCDLO O=C(C1=CC(=O)CS1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000743706549 576651624 /nfs/dbraw/zinc/65/16/24/576651624.db2.gz XOSNGYLTKXDGCB-LLVKDONJSA-N 1 2 296.392 1.248 20 10 CDCDLO COC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756343245 576986367 /nfs/dbraw/zinc/98/63/67/576986367.db2.gz WGGCISKTFZGCNE-IUCAKERBSA-N 1 2 254.286 1.986 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000756638791 576998011 /nfs/dbraw/zinc/99/80/11/576998011.db2.gz RUNHNBRIRPJVMY-BXKDBHETSA-N 1 2 293.323 1.572 20 10 CDCDLO C[C@@H]1C[C@@H]([NH2+]Cc2ncn(C)n2)c2c1c(F)ccc2O ZINC000756778864 577003994 /nfs/dbraw/zinc/00/39/94/577003994.db2.gz GDHVJNQVMJLXDZ-PSASIEDQSA-N 1 2 276.315 1.998 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O ZINC000840974756 617947954 /nfs/dbraw/zinc/94/79/54/617947954.db2.gz FYAUORJMSNBLNJ-SKDRFNHKSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O ZINC000840974756 617947957 /nfs/dbraw/zinc/94/79/57/617947957.db2.gz FYAUORJMSNBLNJ-SKDRFNHKSA-N 1 2 289.734 1.360 20 10 CDCDLO Oc1ccc(-c2csc([C@@H]3COCC[NH2+]3)n2)cc1O ZINC000843289798 618144666 /nfs/dbraw/zinc/14/46/66/618144666.db2.gz AIHGNIWRFWQMER-VIFPVBQESA-N 1 2 278.333 1.882 20 10 CDCDLO COc1ccc(C[N@@H+]2CCOCC23CC3)c(O)c1OC ZINC000894277979 618428155 /nfs/dbraw/zinc/42/81/55/618428155.db2.gz BJMHEGDZUJMBHF-UHFFFAOYSA-N 1 2 279.336 1.774 20 10 CDCDLO COc1ccc(C[N@H+]2CCOCC23CC3)c(O)c1OC ZINC000894277979 618428174 /nfs/dbraw/zinc/42/81/74/618428174.db2.gz BJMHEGDZUJMBHF-UHFFFAOYSA-N 1 2 279.336 1.774 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1C ZINC000896141610 620000013 /nfs/dbraw/zinc/00/00/13/620000013.db2.gz NPSMLXZIPPSDBC-WPRPVWTQSA-N 1 2 285.290 1.911 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1C ZINC000896141610 620000015 /nfs/dbraw/zinc/00/00/15/620000015.db2.gz NPSMLXZIPPSDBC-WPRPVWTQSA-N 1 2 285.290 1.911 20 10 CDCDLO O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000910944555 629125752 /nfs/dbraw/zinc/12/57/52/629125752.db2.gz OFMSRIRNPASZIT-LLVKDONJSA-N 1 2 287.319 1.173 20 10 CDCDLO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CC(C)(C)OC1=O ZINC000814181407 1164067791 /nfs/dbraw/zinc/06/77/91/1164067791.db2.gz ZREJLSMOFJVHPC-JTQLQIEISA-N 1 2 293.319 1.647 20 10 CDCDLO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CC(C)(C)OC1=O ZINC000814181407 1164067794 /nfs/dbraw/zinc/06/77/94/1164067794.db2.gz ZREJLSMOFJVHPC-JTQLQIEISA-N 1 2 293.319 1.647 20 10 CDCDLO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O)c1cn[nH]c1 ZINC001589954555 1173212278 /nfs/dbraw/zinc/21/22/78/1173212278.db2.gz YXUALNDUNCWWQZ-RKDXNWHRSA-N 1 2 299.338 1.707 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1O ZINC001589965880 1173215385 /nfs/dbraw/zinc/21/53/85/1173215385.db2.gz RHNOSOBPHTUEEI-ZJUUUORDSA-N 1 2 289.339 1.402 20 10 CDCDLO C[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1O ZINC001589965874 1173216933 /nfs/dbraw/zinc/21/69/33/1173216933.db2.gz RHNOSOBPHTUEEI-NXEZZACHSA-N 1 2 289.339 1.402 20 10 CDCDLO CCOCC[NH2+][C@@H](CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590813524 1173520518 /nfs/dbraw/zinc/52/05/18/1173520518.db2.gz SCUHMPUITTZRHZ-LBPRGKRZSA-N 1 2 291.355 1.650 20 10 CDCDLO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603695264 1175601189 /nfs/dbraw/zinc/60/11/89/1175601189.db2.gz JPFGAOHEZUFAJK-GUBZILKMSA-N 1 2 291.355 1.382 20 10 CDCDLO Cc1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(O)c1 ZINC000877627106 758953241 /nfs/dbraw/zinc/95/32/41/758953241.db2.gz JKAZBVJGZUMEQO-OAHLLOKOSA-N 1 2 276.380 1.607 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CC[C@H]1O ZINC000840974914 758978638 /nfs/dbraw/zinc/97/86/38/758978638.db2.gz JKTPWQBGOJVCFM-LDYMZIIASA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CC[C@H]1O ZINC000840974914 758978642 /nfs/dbraw/zinc/97/86/42/758978642.db2.gz JKTPWQBGOJVCFM-LDYMZIIASA-N 1 2 289.734 1.360 20 10 CDCDLO CCC[N@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000814177890 768918104 /nfs/dbraw/zinc/91/81/04/768918104.db2.gz TWSSEURAGNRLDI-UHFFFAOYSA-N 1 2 274.723 1.882 20 10 CDCDLO CCC[N@@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000814177890 768918129 /nfs/dbraw/zinc/91/81/29/768918129.db2.gz TWSSEURAGNRLDI-UHFFFAOYSA-N 1 2 274.723 1.882 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH2+]CCN1CCCC1 ZINC000708548742 769518218 /nfs/dbraw/zinc/51/82/18/769518218.db2.gz JSXLKWKYERAAPY-UHFFFAOYSA-N 1 2 256.296 1.856 20 10 CDCDLO C[C@@H](NCC[NH3+])c1cc(Br)ccc1O ZINC000817934082 769878983 /nfs/dbraw/zinc/87/89/83/769878983.db2.gz BQNVRGXXZODQPY-SSDOTTSWSA-N 1 2 259.147 1.764 20 10 CDCDLO C[C@@H]([NH2+]CCN)c1cc(Br)ccc1O ZINC000817934082 769878985 /nfs/dbraw/zinc/87/89/85/769878985.db2.gz BQNVRGXXZODQPY-SSDOTTSWSA-N 1 2 259.147 1.764 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)cc1F ZINC000817412862 770869635 /nfs/dbraw/zinc/86/96/35/770869635.db2.gz PTBNFUSBLWOFPB-CYBMUJFWSA-N 1 2 296.386 1.863 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)cc1F ZINC000817412862 770869640 /nfs/dbraw/zinc/86/96/40/770869640.db2.gz PTBNFUSBLWOFPB-CYBMUJFWSA-N 1 2 296.386 1.863 20 10 CDCDLO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000778924561 771813204 /nfs/dbraw/zinc/81/32/04/771813204.db2.gz XQLFZANKMHHWQG-NSHDSACASA-N 1 2 287.319 1.173 20 10 CDCDLO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000778924559 772043847 /nfs/dbraw/zinc/04/38/47/772043847.db2.gz XQLFZANKMHHWQG-LLVKDONJSA-N 1 2 287.319 1.173 20 10 CDCDLO Cc1ccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c(O)c1 ZINC000877617109 772059663 /nfs/dbraw/zinc/05/96/63/772059663.db2.gz KQHVWMZHMJPINW-CYBMUJFWSA-N 1 2 288.351 1.960 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1c[nH]c[nH+]1 ZINC000935948586 772412366 /nfs/dbraw/zinc/41/23/66/772412366.db2.gz PHDWXWKVHKNHLP-UHFFFAOYSA-N 1 2 294.351 1.850 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1c[nH+]c[nH]1 ZINC000935948586 772412368 /nfs/dbraw/zinc/41/23/68/772412368.db2.gz PHDWXWKVHKNHLP-UHFFFAOYSA-N 1 2 294.351 1.850 20 10 CDCDLO O=C(NCC[N@@H+]1CC=CCC1)C1=CC(=O)CS1 ZINC000795758232 772451011 /nfs/dbraw/zinc/45/10/11/772451011.db2.gz JAZOIEKEWLWNNB-UHFFFAOYSA-N 1 2 252.339 1.445 20 10 CDCDLO O=C(NCC[N@H+]1CC=CCC1)C1=CC(=O)CS1 ZINC000795758232 772451009 /nfs/dbraw/zinc/45/10/09/772451009.db2.gz JAZOIEKEWLWNNB-UHFFFAOYSA-N 1 2 252.339 1.445 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000935945189 772727954 /nfs/dbraw/zinc/72/79/54/772727954.db2.gz OBNBJSGZOXHWDL-NSHDSACASA-N 1 2 283.368 1.588 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC000935945189 772727958 /nfs/dbraw/zinc/72/79/58/772727958.db2.gz OBNBJSGZOXHWDL-NSHDSACASA-N 1 2 283.368 1.588 20 10 CDCDLO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857944111 772794885 /nfs/dbraw/zinc/79/48/85/772794885.db2.gz IXNZWJGTMQRKDU-KMOQFTEPSA-N 1 2 299.330 1.439 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2CCN(C)C[C@@H]2CO)cc1Cl ZINC000877643862 773039166 /nfs/dbraw/zinc/03/91/66/773039166.db2.gz KITNTGDYMWHAQV-GFCCVEGCSA-N 1 2 284.787 1.462 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2CCN(C)C[C@@H]2CO)cc1Cl ZINC000877643862 773039172 /nfs/dbraw/zinc/03/91/72/773039172.db2.gz KITNTGDYMWHAQV-GFCCVEGCSA-N 1 2 284.787 1.462 20 10 CDCDLO Oc1cccc(Cl)c1C[NH+]1CC(N2CC(F)C2)C1 ZINC001140338189 895815291 /nfs/dbraw/zinc/81/52/91/895815291.db2.gz YXODBWWLWVKXFU-UHFFFAOYSA-N 1 2 270.735 1.884 20 10 CDCDLO COc1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(O)c1Cl ZINC001236800653 916477343 /nfs/dbraw/zinc/47/73/43/916477343.db2.gz CCSITQXERPADMQ-SNVBAGLBSA-N 1 2 287.743 1.247 20 10 CDCDLO COc1ccc(C[N@H+]2CCOC[C@H](O)C2)c(O)c1Cl ZINC001236800653 916477348 /nfs/dbraw/zinc/47/73/48/916477348.db2.gz CCSITQXERPADMQ-SNVBAGLBSA-N 1 2 287.743 1.247 20 10 CDCDLO COCCCN1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238060336 917784960 /nfs/dbraw/zinc/78/49/60/917784960.db2.gz AASJVPOOLFLDTI-UHFFFAOYSA-N 1 2 296.386 1.994 20 10 CDCDLO O=S1CC2(C[NH+](Cc3ccc(Cl)cc3O)C2)C1 ZINC001140463124 936712799 /nfs/dbraw/zinc/71/27/99/936712799.db2.gz UCECQUWHOUSFIL-UHFFFAOYSA-N 1 2 271.769 1.610 20 10 CDCDLO COc1cc(O)c(C[N@H+](C)CC(C)=O)c(OC)c1 ZINC001141031465 936795026 /nfs/dbraw/zinc/79/50/26/936795026.db2.gz FYUKCVIVRSHNGK-UHFFFAOYSA-N 1 2 253.298 1.430 20 10 CDCDLO COc1cc(O)c(C[N@@H+](C)CC(C)=O)c(OC)c1 ZINC001141031465 936795028 /nfs/dbraw/zinc/79/50/28/936795028.db2.gz FYUKCVIVRSHNGK-UHFFFAOYSA-N 1 2 253.298 1.430 20 10 CDCDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142521015 937026589 /nfs/dbraw/zinc/02/65/89/937026589.db2.gz UOIKGOXHRSNKAZ-LLVKDONJSA-N 1 2 270.279 1.510 20 10 CDCDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142521015 937026591 /nfs/dbraw/zinc/02/65/91/937026591.db2.gz UOIKGOXHRSNKAZ-LLVKDONJSA-N 1 2 270.279 1.510 20 10 CDCDLO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c(F)ccc(F)c1O ZINC001275362196 931749640 /nfs/dbraw/zinc/74/96/40/931749640.db2.gz IACGPEOIERPORU-STQMWFEESA-N 1 2 268.307 1.949 20 10 CDCDLO C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1c(F)ccc(F)c1O ZINC001275362196 931749642 /nfs/dbraw/zinc/74/96/42/931749642.db2.gz IACGPEOIERPORU-STQMWFEESA-N 1 2 268.307 1.949 20 10 CDCDLO Oc1ccc(CN2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)cc1O ZINC001275821779 932064747 /nfs/dbraw/zinc/06/47/47/932064747.db2.gz ZCEPWHIQTSVREA-UHFFFAOYSA-N 1 2 299.374 1.886 20 10 CDCDLO Oc1ccc(CN2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)cc1O ZINC001275821779 932064752 /nfs/dbraw/zinc/06/47/52/932064752.db2.gz ZCEPWHIQTSVREA-UHFFFAOYSA-N 1 2 299.374 1.886 20 10 CDCDLO COc1cc(C[N@@H+]2CCn3cccc3C2)c(O)cc1O ZINC001231635779 942951806 /nfs/dbraw/zinc/95/18/06/942951806.db2.gz LIFXLEUQAFMRCN-UHFFFAOYSA-N 1 2 274.320 1.924 20 10 CDCDLO COc1cc(C[N@H+]2CCn3cccc3C2)c(O)cc1O ZINC001231635779 942951808 /nfs/dbraw/zinc/95/18/08/942951808.db2.gz LIFXLEUQAFMRCN-UHFFFAOYSA-N 1 2 274.320 1.924 20 10 CDCDLO O=C1NCC[C@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231909416 943052978 /nfs/dbraw/zinc/05/29/78/943052978.db2.gz CLXYJWDSPSTUSU-CQSZACIVSA-N 1 2 280.755 1.758 20 10 CDCDLO O=C1NCC[C@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231909416 943052983 /nfs/dbraw/zinc/05/29/83/943052983.db2.gz CLXYJWDSPSTUSU-CQSZACIVSA-N 1 2 280.755 1.758 20 10 CDCDLO CN1CCO[C@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)C[C@H]21 ZINC001232257293 943190207 /nfs/dbraw/zinc/19/02/07/943190207.db2.gz BSUBHPQRBVEDSX-RISCZKNCSA-N 1 2 298.770 1.266 20 10 CDCDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(Cl)c(O)cc3O)C[C@H]21 ZINC001232257293 943190211 /nfs/dbraw/zinc/19/02/11/943190211.db2.gz BSUBHPQRBVEDSX-RISCZKNCSA-N 1 2 298.770 1.266 20 10 CDCDLO Oc1c(CN2CC[N@@H+]3CC[C@@H]3C2)ccc(F)c1F ZINC001233080486 943486845 /nfs/dbraw/zinc/48/68/45/943486845.db2.gz VKXXCSWYPIEHRR-SNVBAGLBSA-N 1 2 254.280 1.560 20 10 CDCDLO Oc1c(CN2CC[N@H+]3CC[C@@H]3C2)ccc(F)c1F ZINC001233080486 943486846 /nfs/dbraw/zinc/48/68/46/943486846.db2.gz VKXXCSWYPIEHRR-SNVBAGLBSA-N 1 2 254.280 1.560 20 10 CDCDLO O=C1C[N@@H+](Cc2cc(O)c(O)cc2O)CC2(CCCC2)N1 ZINC001233487456 943595580 /nfs/dbraw/zinc/59/55/80/943595580.db2.gz DORQQHDXKNXWKP-UHFFFAOYSA-N 1 2 292.335 1.048 20 10 CDCDLO O=C1C[N@H+](Cc2cc(O)c(O)cc2O)CC2(CCCC2)N1 ZINC001233487456 943595587 /nfs/dbraw/zinc/59/55/87/943595587.db2.gz DORQQHDXKNXWKP-UHFFFAOYSA-N 1 2 292.335 1.048 20 10 CDCDLO [NH3+][C@@]12C[C@@H]1CCN(Cc1ccc(F)c(F)c1O)C2 ZINC001235173196 944078567 /nfs/dbraw/zinc/07/85/67/944078567.db2.gz RYSRXTWNFNNPGZ-TVQRCGJNSA-N 1 2 254.280 1.594 20 10 CDCDLO [NH3+][C@]12CC[C@H]1CN(Cc1c(F)ccc(F)c1O)C2 ZINC001235992107 944357107 /nfs/dbraw/zinc/35/71/07/944357107.db2.gz LZQLWZYTPQWQJK-SDBXPKJASA-N 1 2 254.280 1.594 20 10 CDCDLO NC(=O)C1C[NH+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236798088 944570284 /nfs/dbraw/zinc/57/02/84/944570284.db2.gz GIKJUNTWEIAEQS-UHFFFAOYSA-N 1 2 275.135 1.616 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@H]1O ZINC001237076936 944652910 /nfs/dbraw/zinc/65/29/10/944652910.db2.gz AWSRWLDSGDUJJD-WRWORJQWSA-N 1 2 292.162 1.484 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@H]1O ZINC001237076936 944652918 /nfs/dbraw/zinc/65/29/18/944652918.db2.gz AWSRWLDSGDUJJD-WRWORJQWSA-N 1 2 292.162 1.484 20 10 CDCDLO O=C(C[NH2+]C1CCN(C2CC2)CC1)c1ccc(O)c(O)c1 ZINC001256069866 948193102 /nfs/dbraw/zinc/19/31/02/948193102.db2.gz ODFYFVXVLICQJP-UHFFFAOYSA-N 1 2 290.363 1.497 20 10 CDCDLO C[C@H](C(=O)N(C)Cc1ccccc1O)n1cc[nH+]c1 ZINC001324415125 953379593 /nfs/dbraw/zinc/37/95/93/953379593.db2.gz YUBBISWAXMCYSA-LLVKDONJSA-N 1 2 259.309 1.808 20 10 CDCDLO Cc1nnc(C[NH2+][C@@H](C)c2c(O)cccc2F)n1C ZINC001333467855 958358961 /nfs/dbraw/zinc/35/89/61/958358961.db2.gz SYQTWEGPOXPDGQ-QMMMGPOBSA-N 1 2 264.304 1.819 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(N)cc2)CCO1 ZINC001336118391 960211024 /nfs/dbraw/zinc/21/10/24/960211024.db2.gz YMJNLDZWLCBWHD-CYBMUJFWSA-N 1 2 264.325 1.033 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)CCO1 ZINC001336118391 960211029 /nfs/dbraw/zinc/21/10/29/960211029.db2.gz YMJNLDZWLCBWHD-CYBMUJFWSA-N 1 2 264.325 1.033 20 10 CDCDLO Nc1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001336880622 960697491 /nfs/dbraw/zinc/69/74/91/960697491.db2.gz WTLXVKRUIBHAFC-CYBMUJFWSA-N 1 2 285.351 1.280 20 10 CDCDLO Cc1nnc(C[NH2+]Cc2cc(Cl)c(F)cc2O)n1C ZINC001324275173 961277344 /nfs/dbraw/zinc/27/73/44/961277344.db2.gz BWGWUQBARAAURF-UHFFFAOYSA-N 1 2 284.722 1.911 20 10 CDCDLO COC(=O)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000276459036 345375838 /nfs/dbraw/zinc/37/58/38/345375838.db2.gz LBKFXBYBQNTPGD-AWEZNQCLSA-N 1 2 295.335 1.451 20 10 CDCDLO COc1cccc(C[NH+]2CC(OC(=O)NC(C)C)C2)c1O ZINC000297297843 200139530 /nfs/dbraw/zinc/13/95/30/200139530.db2.gz BHRHVONRMWPQJF-UHFFFAOYSA-N 1 2 294.351 1.720 20 10 CDCDLO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(F)c(F)c1O ZINC000278636933 299313118 /nfs/dbraw/zinc/31/31/18/299313118.db2.gz DDLYCFSKWRCKGO-FZNYLWTLSA-N 1 2 287.306 1.861 20 10 CDCDLO COC(=O)CCC[N@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000273039730 365466202 /nfs/dbraw/zinc/46/62/02/365466202.db2.gz DQJFBWMFEILYPK-UHFFFAOYSA-N 1 2 295.335 1.628 20 10 CDCDLO COC(=O)CCC[N@@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000273039730 365466209 /nfs/dbraw/zinc/46/62/09/365466209.db2.gz DQJFBWMFEILYPK-UHFFFAOYSA-N 1 2 295.335 1.628 20 10 CDCDLO OCC[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000183370790 391263182 /nfs/dbraw/zinc/26/31/82/391263182.db2.gz FFLIZBGGFQYCQZ-UHFFFAOYSA-N 1 2 270.760 1.156 20 10 CDCDLO OCCN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000183370790 391263192 /nfs/dbraw/zinc/26/31/92/391263192.db2.gz FFLIZBGGFQYCQZ-UHFFFAOYSA-N 1 2 270.760 1.156 20 10 CDCDLO CCOCc1cc(C[NH2+]CC(F)(F)CO)ccc1OC ZINC000183865578 391271967 /nfs/dbraw/zinc/27/19/67/391271967.db2.gz ZGKKWFFOMDAHQA-UHFFFAOYSA-N 1 2 289.322 1.949 20 10 CDCDLO OC[C@H]1[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC000367775931 267117088 /nfs/dbraw/zinc/11/70/88/267117088.db2.gz CTYBSXJBSZXFLJ-URLYPYJESA-N 1 2 253.729 1.716 20 10 CDCDLO OC[C@H]1[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC000367775931 267117091 /nfs/dbraw/zinc/11/70/91/267117091.db2.gz CTYBSXJBSZXFLJ-URLYPYJESA-N 1 2 253.729 1.716 20 10 CDCDLO CCCOc1ccc(C[N@@H+]2CCN(C)C(=O)C2)c(O)c1 ZINC000127384468 520349247 /nfs/dbraw/zinc/34/92/47/520349247.db2.gz GRKQUDHZARODMN-UHFFFAOYSA-N 1 2 278.352 1.455 20 10 CDCDLO CCCOc1ccc(C[N@H+]2CCN(C)C(=O)C2)c(O)c1 ZINC000127384468 520349259 /nfs/dbraw/zinc/34/92/59/520349259.db2.gz GRKQUDHZARODMN-UHFFFAOYSA-N 1 2 278.352 1.455 20 10 CDCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OCO2 ZINC000265725839 522533684 /nfs/dbraw/zinc/53/36/84/522533684.db2.gz OMVYPDBNVGHCDU-UHFFFAOYSA-N 1 2 295.335 1.894 20 10 CDCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OCO2 ZINC000265725839 522533687 /nfs/dbraw/zinc/53/36/87/522533687.db2.gz OMVYPDBNVGHCDU-UHFFFAOYSA-N 1 2 295.335 1.894 20 10 CDCDLO COc1cc(O)c(C[NH2+][C@]2(C)CCOC2=O)cc1OC ZINC000290365083 522780663 /nfs/dbraw/zinc/78/06/63/522780663.db2.gz ADFXVWUIWKFGNU-CQSZACIVSA-N 1 2 281.308 1.205 20 10 CDCDLO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000290015148 524010009 /nfs/dbraw/zinc/01/00/09/524010009.db2.gz BWYJUZKSNMBASB-QWRKXWFKSA-N 1 2 282.296 1.365 20 10 CDCDLO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000276966055 525496574 /nfs/dbraw/zinc/49/65/74/525496574.db2.gz SRQOKLUIPXGMJJ-PELKAZGASA-N 1 2 297.305 1.788 20 10 CDCDLO CCN(CCO)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000769554860 575358913 /nfs/dbraw/zinc/35/89/13/575358913.db2.gz ATTKGHKPWJFPJX-UHFFFAOYSA-N 1 2 290.766 1.589 20 10 CDCDLO CCOc1ccc(C[N@H+](CC)CC(=O)OC)c(O)c1 ZINC000769316010 576345193 /nfs/dbraw/zinc/34/51/93/576345193.db2.gz GSZQQIWJZUKICT-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CCOc1ccc(C[N@@H+](CC)CC(=O)OC)c(O)c1 ZINC000769316010 576345194 /nfs/dbraw/zinc/34/51/94/576345194.db2.gz GSZQQIWJZUKICT-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1c(O)cccc1OC ZINC000769484123 576357990 /nfs/dbraw/zinc/35/79/90/576357990.db2.gz CVPFZRSLZZNJLW-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1c(O)cccc1OC ZINC000769484123 576357993 /nfs/dbraw/zinc/35/79/93/576357993.db2.gz CVPFZRSLZZNJLW-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2CCCNC(=O)C2)c1O ZINC000761195767 576558237 /nfs/dbraw/zinc/55/82/37/576558237.db2.gz NHTMTCJZPGWNPM-UHFFFAOYSA-N 1 2 284.743 1.376 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2CCCNC(=O)C2)c1O ZINC000761195767 576558238 /nfs/dbraw/zinc/55/82/38/576558238.db2.gz NHTMTCJZPGWNPM-UHFFFAOYSA-N 1 2 284.743 1.376 20 10 CDCDLO CCn1c[nH+]cc1/C=C1\SC(N2CCOCC2)=NC1=O ZINC000901444683 624255543 /nfs/dbraw/zinc/25/55/43/624255543.db2.gz ZXNRCIRVSFPTEW-XFFZJAGNSA-N 1 2 292.364 1.206 20 10 CDCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(C2COC2)CC1 ZINC001142509158 1160688786 /nfs/dbraw/zinc/68/87/86/1160688786.db2.gz YYXRXJXKOPINHD-UHFFFAOYSA-N 1 2 284.306 1.187 20 10 CDCDLO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1nnn(C)n1 ZINC000398065284 1187294019 /nfs/dbraw/zinc/29/40/19/1187294019.db2.gz HJNHYHLMRUJJIB-ZJUUUORDSA-N 1 2 273.340 1.562 20 10 CDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000228356327 777710246 /nfs/dbraw/zinc/71/02/46/777710246.db2.gz RAZDHUFKNFCEHG-NSHDSACASA-N 1 2 268.744 1.756 20 10 CDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000228356327 777710257 /nfs/dbraw/zinc/71/02/57/777710257.db2.gz RAZDHUFKNFCEHG-NSHDSACASA-N 1 2 268.744 1.756 20 10 CDCDLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775996037 773952034 /nfs/dbraw/zinc/95/20/34/773952034.db2.gz RGGAMZDYXSBTOP-VHSXEESVSA-N 1 2 275.707 1.112 20 10 CDCDLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775996037 773952052 /nfs/dbraw/zinc/95/20/52/773952052.db2.gz RGGAMZDYXSBTOP-VHSXEESVSA-N 1 2 275.707 1.112 20 10 CDCDLO CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(F)cc1[O-] ZINC000817982455 774436253 /nfs/dbraw/zinc/43/62/53/774436253.db2.gz SPCCGDCMNMWMRR-JSGCOSHPSA-N 1 2 282.359 1.951 20 10 CDCDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCNC1=O ZINC000816521175 775089038 /nfs/dbraw/zinc/08/90/38/775089038.db2.gz JDSPHSZSTMRMIE-SNVBAGLBSA-N 1 2 272.707 1.505 20 10 CDCDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCNC1=O ZINC000816521175 775089044 /nfs/dbraw/zinc/08/90/44/775089044.db2.gz JDSPHSZSTMRMIE-SNVBAGLBSA-N 1 2 272.707 1.505 20 10 CDCDLO COc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(O)c1 ZINC000846062011 775203001 /nfs/dbraw/zinc/20/30/01/775203001.db2.gz WMZHBSVYGOHWMZ-LLVKDONJSA-N 1 2 289.335 1.865 20 10 CDCDLO Cc1ccc(C(=O)OCCCn2cc[nH+]c2)c(O)c1O ZINC000783344407 776326550 /nfs/dbraw/zinc/32/65/50/776326550.db2.gz NJOKSBHZFHBPON-UHFFFAOYSA-N 1 2 276.292 1.850 20 10 CDCDLO CCC[N@H+](CC(=O)NC)Cc1cc(F)c(N(C)C)cc1F ZINC000862232362 777003042 /nfs/dbraw/zinc/00/30/42/777003042.db2.gz WWLIRAREOOZJOL-UHFFFAOYSA-N 1 2 299.365 1.989 20 10 CDCDLO CCC[N@@H+](CC(=O)NC)Cc1cc(F)c(N(C)C)cc1F ZINC000862232362 777003049 /nfs/dbraw/zinc/00/30/49/777003049.db2.gz WWLIRAREOOZJOL-UHFFFAOYSA-N 1 2 299.365 1.989 20 10 CDCDLO COc1cc(C)cc(C[N@H+](C)CCS(C)(=O)=O)c1O ZINC000164279564 777004319 /nfs/dbraw/zinc/00/43/19/777004319.db2.gz GDTQDYFZOZQDBL-UHFFFAOYSA-N 1 2 287.381 1.186 20 10 CDCDLO COc1cc(C)cc(C[N@@H+](C)CCS(C)(=O)=O)c1O ZINC000164279564 777004335 /nfs/dbraw/zinc/00/43/35/777004335.db2.gz GDTQDYFZOZQDBL-UHFFFAOYSA-N 1 2 287.381 1.186 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CCNC(=O)C2(C)C)c1 ZINC000180050934 777196658 /nfs/dbraw/zinc/19/66/58/777196658.db2.gz GRSRPJMHNCGSGV-UHFFFAOYSA-N 1 2 264.325 1.111 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CCNC(=O)C2(C)C)c1 ZINC000180050934 777196660 /nfs/dbraw/zinc/19/66/60/777196660.db2.gz GRSRPJMHNCGSGV-UHFFFAOYSA-N 1 2 264.325 1.111 20 10 CDCDLO CSCc1n[nH]c(C[NH2+]Cc2cc(C)ccc2O)n1 ZINC000886327625 780077034 /nfs/dbraw/zinc/07/70/34/780077034.db2.gz NSXHMSRNFHISPI-UHFFFAOYSA-N 1 2 278.381 1.972 20 10 CDCDLO Nc1[nH+]ccc(F)c1NCCc1cc(O)c(O)cc1O ZINC001168010520 905450010 /nfs/dbraw/zinc/45/00/10/905450010.db2.gz WBNWLDQDZKMHIL-UHFFFAOYSA-N 1 2 279.271 1.574 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCc2nccn2CC1 ZINC001142527557 908867555 /nfs/dbraw/zinc/86/75/55/908867555.db2.gz ZBGAUTZUVPEORK-UHFFFAOYSA-N 1 2 279.290 1.925 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCc2nccn2CC1 ZINC001142527557 908867571 /nfs/dbraw/zinc/86/75/71/908867571.db2.gz ZBGAUTZUVPEORK-UHFFFAOYSA-N 1 2 279.290 1.925 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2cccc(F)c2O)C1 ZINC001138122403 936473707 /nfs/dbraw/zinc/47/37/07/936473707.db2.gz BZPZKBSQEUHYEP-KOLCDFICSA-N 1 2 257.280 1.684 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138122403 936473709 /nfs/dbraw/zinc/47/37/09/936473709.db2.gz BZPZKBSQEUHYEP-KOLCDFICSA-N 1 2 257.280 1.684 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC001140098862 936678398 /nfs/dbraw/zinc/67/83/98/936678398.db2.gz PMVPPVQGWIFKNW-JTQLQIEISA-N 1 2 299.168 1.604 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Br ZINC001140098862 936678399 /nfs/dbraw/zinc/67/83/99/936678399.db2.gz PMVPPVQGWIFKNW-JTQLQIEISA-N 1 2 299.168 1.604 20 10 CDCDLO Oc1cccc(F)c1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC001137831823 922460359 /nfs/dbraw/zinc/46/03/59/922460359.db2.gz OWIDEDRPCBKIHJ-LBPRGKRZSA-N 1 2 280.343 1.438 20 10 CDCDLO Oc1cccc(F)c1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001137831823 922460363 /nfs/dbraw/zinc/46/03/63/922460363.db2.gz OWIDEDRPCBKIHJ-LBPRGKRZSA-N 1 2 280.343 1.438 20 10 CDCDLO CC[N@H+](Cc1cc(O)ccc1O)[C@@H](C)C(=O)OC ZINC001141162879 936824149 /nfs/dbraw/zinc/82/41/49/936824149.db2.gz IUDYQLVGCKHVHR-VIFPVBQESA-N 1 2 253.298 1.481 20 10 CDCDLO CC[N@@H+](Cc1cc(O)ccc1O)[C@@H](C)C(=O)OC ZINC001141162879 936824151 /nfs/dbraw/zinc/82/41/51/936824151.db2.gz IUDYQLVGCKHVHR-VIFPVBQESA-N 1 2 253.298 1.481 20 10 CDCDLO C[C@H](C[NH2+]Cc1cccc(Cl)c1O)S(C)(=O)=O ZINC000697643758 937285637 /nfs/dbraw/zinc/28/56/37/937285637.db2.gz XHXWBTHEWUCGTA-MRVPVSSYSA-N 1 2 277.773 1.568 20 10 CDCDLO Cc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c(O)c1 ZINC001276169738 932590821 /nfs/dbraw/zinc/59/08/21/932590821.db2.gz VKALWTHGMBXJDK-OKILXGFUSA-N 1 2 262.353 1.215 20 10 CDCDLO Cc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c(O)c1 ZINC001276169738 932590826 /nfs/dbraw/zinc/59/08/26/932590826.db2.gz VKALWTHGMBXJDK-OKILXGFUSA-N 1 2 262.353 1.215 20 10 CDCDLO O=C(Nc1cccc2[nH+]ccn21)c1cc(O)c(O)c(O)c1 ZINC001148581750 932750970 /nfs/dbraw/zinc/75/09/70/932750970.db2.gz URRCVXZUIMPKAI-UHFFFAOYSA-N 1 2 285.259 1.703 20 10 CDCDLO CN(C1C[NH+](Cc2ccc(O)cc2O)C1)[C@@H]1CCOC1 ZINC001204279060 939752206 /nfs/dbraw/zinc/75/22/06/939752206.db2.gz OXUPIAKIVLSXCL-GFCCVEGCSA-N 1 2 278.352 1.003 20 10 CDCDLO C[C@]1(CO)CC[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC001231910978 943050130 /nfs/dbraw/zinc/05/01/30/943050130.db2.gz XNHNRNCAOVGOAH-GXTWGEPZSA-N 1 2 285.771 1.611 20 10 CDCDLO C[C@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC001231910978 943050138 /nfs/dbraw/zinc/05/01/38/943050138.db2.gz XNHNRNCAOVGOAH-GXTWGEPZSA-N 1 2 285.771 1.611 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1O ZINC001231910948 943052556 /nfs/dbraw/zinc/05/25/56/943052556.db2.gz WSSYRXTZDHFMCT-PWSUYJOCSA-N 1 2 271.744 1.221 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1O ZINC001231910948 943052566 /nfs/dbraw/zinc/05/25/66/943052566.db2.gz WSSYRXTZDHFMCT-PWSUYJOCSA-N 1 2 271.744 1.221 20 10 CDCDLO CC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCO1 ZINC001232841829 943417342 /nfs/dbraw/zinc/41/73/42/943417342.db2.gz UBZACMOAXJXUNY-OAHLLOKOSA-N 1 2 278.352 1.248 20 10 CDCDLO CC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CCO1 ZINC001232841829 943417344 /nfs/dbraw/zinc/41/73/44/943417344.db2.gz UBZACMOAXJXUNY-OAHLLOKOSA-N 1 2 278.352 1.248 20 10 CDCDLO COc1ccc(C[NH+]2CC3(COC3)C2)c(O)c1Cl ZINC001236802503 944574083 /nfs/dbraw/zinc/57/40/83/944574083.db2.gz RALLFWLKHZIARS-UHFFFAOYSA-N 1 2 269.728 1.886 20 10 CDCDLO CCOCC[NH+]1CCN(Cc2cccc(C)c2O)CC1 ZINC000179669334 357219632 /nfs/dbraw/zinc/21/96/32/357219632.db2.gz WJFWNXQQMIEAPT-UHFFFAOYSA-N 1 2 278.396 1.855 20 10 CDCDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000272312769 365184601 /nfs/dbraw/zinc/18/46/01/365184601.db2.gz RVZKXYVLUOUJPE-NSHDSACASA-N 1 2 252.289 1.371 20 10 CDCDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000272312769 365184607 /nfs/dbraw/zinc/18/46/07/365184607.db2.gz RVZKXYVLUOUJPE-NSHDSACASA-N 1 2 252.289 1.371 20 10 CDCDLO C[C@H](O)C[N@@H+]1CCN(Cc2cccc(Cl)c2O)[C@H](C)C1 ZINC000281129850 367593573 /nfs/dbraw/zinc/59/35/73/367593573.db2.gz YEKPLKSSWVHKDE-NEPJUHHUSA-N 1 2 298.814 1.933 20 10 CDCDLO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(F)c(F)c1O ZINC000187677117 296126579 /nfs/dbraw/zinc/12/65/79/296126579.db2.gz UWHCHRRWGHOPIH-SSDOTTSWSA-N 1 2 279.308 1.366 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293386818 391032314 /nfs/dbraw/zinc/03/23/14/391032314.db2.gz GPGVOQROHJIELM-UHFFFAOYSA-N 1 2 250.342 1.666 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293386818 391032312 /nfs/dbraw/zinc/03/23/12/391032312.db2.gz GPGVOQROHJIELM-UHFFFAOYSA-N 1 2 250.342 1.666 20 10 CDCDLO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000183374890 391263076 /nfs/dbraw/zinc/26/30/76/391263076.db2.gz PTHQHFNCKYSHCN-JTQLQIEISA-N 1 2 268.744 1.743 20 10 CDCDLO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000183374890 391263081 /nfs/dbraw/zinc/26/30/81/391263081.db2.gz PTHQHFNCKYSHCN-JTQLQIEISA-N 1 2 268.744 1.743 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000271754681 391303354 /nfs/dbraw/zinc/30/33/54/391303354.db2.gz CMQUBZZGFHACJD-CYBMUJFWSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000271754681 391303357 /nfs/dbraw/zinc/30/33/57/391303357.db2.gz CMQUBZZGFHACJD-CYBMUJFWSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)[C@H]([NH2+]Cc1cc(OC)ccc1O)C1CC1 ZINC000276469193 328218707 /nfs/dbraw/zinc/21/87/07/328218707.db2.gz MOAFEFDRCUTJFJ-CYBMUJFWSA-N 1 2 265.309 1.442 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001142509031 1160688677 /nfs/dbraw/zinc/68/86/77/1160688677.db2.gz URKLVHMUEPGVFN-QPUJVOFHSA-N 1 2 261.243 1.575 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001142509031 1160688680 /nfs/dbraw/zinc/68/86/80/1160688680.db2.gz URKLVHMUEPGVFN-QPUJVOFHSA-N 1 2 261.243 1.575 20 10 CDCDLO COc1ccc2c(c1)CCCC[N@H+]2CC1(CO)COC1 ZINC000766269663 576090424 /nfs/dbraw/zinc/09/04/24/576090424.db2.gz MXYPWBFLZUALMX-UHFFFAOYSA-N 1 2 277.364 1.847 20 10 CDCDLO COc1ccc2c(c1)CCCC[N@@H+]2CC1(CO)COC1 ZINC000766269663 576090426 /nfs/dbraw/zinc/09/04/26/576090426.db2.gz MXYPWBFLZUALMX-UHFFFAOYSA-N 1 2 277.364 1.847 20 10 CDCDLO O=C(C1=CC(=O)CS1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747513424 576873348 /nfs/dbraw/zinc/87/33/48/576873348.db2.gz AYKYVIOJALNXAX-UHFFFAOYSA-N 1 2 296.392 1.391 20 10 CDCDLO COc1cc(C)cc(C[NH2+][C@@H](C)c2ncn(C)n2)c1O ZINC000894530900 618943762 /nfs/dbraw/zinc/94/37/62/618943762.db2.gz PKIZLQJMWSYVRE-JTQLQIEISA-N 1 2 276.340 1.689 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894618957 618993691 /nfs/dbraw/zinc/99/36/91/618993691.db2.gz IELGPIFDJKDXCL-SNVBAGLBSA-N 1 2 267.325 1.703 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894618957 618993695 /nfs/dbraw/zinc/99/36/95/618993695.db2.gz IELGPIFDJKDXCL-SNVBAGLBSA-N 1 2 267.325 1.703 20 10 CDCDLO CC[C@@H]([NH2+]C/C=C\CO)c1cccc(-c2nn[nH]n2)c1O ZINC001590467358 1173419840 /nfs/dbraw/zinc/41/98/40/1173419840.db2.gz PSVBLJFCMNRJTO-VSQXVHSFSA-N 1 2 289.339 1.162 20 10 CDCDLO Nc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000841298428 782334584 /nfs/dbraw/zinc/33/45/84/782334584.db2.gz PDDVNWKOTAHTLF-OKILXGFUSA-N 1 2 290.367 1.254 20 10 CDCDLO Nc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000841298428 782334598 /nfs/dbraw/zinc/33/45/98/782334598.db2.gz PDDVNWKOTAHTLF-OKILXGFUSA-N 1 2 290.367 1.254 20 10 CDCDLO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000708412501 782714114 /nfs/dbraw/zinc/71/41/14/782714114.db2.gz IBNBNILNDWYURN-MRVPVSSYSA-N 1 2 272.295 1.484 20 10 CDCDLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000708412501 782714126 /nfs/dbraw/zinc/71/41/26/782714126.db2.gz IBNBNILNDWYURN-MRVPVSSYSA-N 1 2 272.295 1.484 20 10 CDCDLO O=C1CC[C@H]2C[N@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000211586930 781164769 /nfs/dbraw/zinc/16/47/69/781164769.db2.gz ZJJYOASEWOVFGR-JTQLQIEISA-N 1 2 280.755 1.852 20 10 CDCDLO O=C1CC[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000211586930 781164786 /nfs/dbraw/zinc/16/47/86/781164786.db2.gz ZJJYOASEWOVFGR-JTQLQIEISA-N 1 2 280.755 1.852 20 10 CDCDLO [O-]c1c(F)cc(F)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000708479976 781291859 /nfs/dbraw/zinc/29/18/59/781291859.db2.gz CFYYTTUIAWVNMC-UWVGGRQHSA-N 1 2 254.280 1.322 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)c(O)c1 ZINC000799737845 781804066 /nfs/dbraw/zinc/80/40/66/781804066.db2.gz NQJKYUXESLKMAK-INIZCTEOSA-N 1 2 293.363 1.782 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)c(O)c1 ZINC000799737845 781804067 /nfs/dbraw/zinc/80/40/67/781804067.db2.gz NQJKYUXESLKMAK-INIZCTEOSA-N 1 2 293.363 1.782 20 10 CDCDLO CCOCCOC1C[NH+](Cc2c(O)cccc2OC)C1 ZINC000838991916 783555338 /nfs/dbraw/zinc/55/53/38/783555338.db2.gz YZZHEMMCVXTPNM-UHFFFAOYSA-N 1 2 281.352 1.638 20 10 CDCDLO COC(=O)C1(O)CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137841554 936420552 /nfs/dbraw/zinc/42/05/52/936420552.db2.gz JMTKBYRWAMOYNY-UHFFFAOYSA-N 1 2 283.299 1.031 20 10 CDCDLO CC[N@H+](CCN1CCOCC1)Cc1cccc(F)c1O ZINC001138128477 936475399 /nfs/dbraw/zinc/47/53/99/936475399.db2.gz MOXQPUNGCQRNJH-UHFFFAOYSA-N 1 2 282.359 1.685 20 10 CDCDLO CC[N@@H+](CCN1CCOCC1)Cc1cccc(F)c1O ZINC001138128477 936475402 /nfs/dbraw/zinc/47/54/02/936475402.db2.gz MOXQPUNGCQRNJH-UHFFFAOYSA-N 1 2 282.359 1.685 20 10 CDCDLO C[C@@H]1CN(C2C[NH+](Cc3cccc(F)c3O)C2)C[C@H](C)O1 ZINC001138130570 936475579 /nfs/dbraw/zinc/47/55/79/936475579.db2.gz CTGMSABKUVTYJR-TXEJJXNPSA-N 1 2 294.370 1.825 20 10 CDCDLO Nc1ccc(CCC(=O)N2CCc3cccc(O)c3C2)c[nH+]1 ZINC001183933163 918750698 /nfs/dbraw/zinc/75/06/98/918750698.db2.gz ILYKNGIBQCRZGC-UHFFFAOYSA-N 1 2 297.358 1.887 20 10 CDCDLO CC[N@@H+]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1C ZINC000827311183 936586523 /nfs/dbraw/zinc/58/65/23/936586523.db2.gz WPAGCIFNLPAPMJ-VIFPVBQESA-N 1 2 282.315 1.403 20 10 CDCDLO CC[N@H+]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1C ZINC000827311183 936586525 /nfs/dbraw/zinc/58/65/25/936586525.db2.gz WPAGCIFNLPAPMJ-VIFPVBQESA-N 1 2 282.315 1.403 20 10 CDCDLO COc1cc(O)c(C[N@H+](C)C2COC2)c(OC)c1 ZINC001141028132 936794042 /nfs/dbraw/zinc/79/40/42/936794042.db2.gz CBYXWRWQQDLSSN-UHFFFAOYSA-N 1 2 253.298 1.240 20 10 CDCDLO COc1cc(O)c(C[N@@H+](C)C2COC2)c(OC)c1 ZINC001141028132 936794043 /nfs/dbraw/zinc/79/40/43/936794043.db2.gz CBYXWRWQQDLSSN-UHFFFAOYSA-N 1 2 253.298 1.240 20 10 CDCDLO COc1cc(C(=O)NCCc2[nH]cc(C)[nH+]2)cc(O)c1O ZINC001193114530 923461960 /nfs/dbraw/zinc/46/19/60/923461960.db2.gz UQFVLSDAXYKLLC-UHFFFAOYSA-N 1 2 291.307 1.110 20 10 CDCDLO O=C(NCCn1cc[nH+]c1)c1ccc(O)c(O)c1Cl ZINC001193210199 923532477 /nfs/dbraw/zinc/53/24/77/923532477.db2.gz WDFSXXVGCCXGQR-UHFFFAOYSA-N 1 2 281.699 1.378 20 10 CDCDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001203874851 925111211 /nfs/dbraw/zinc/11/12/11/925111211.db2.gz DHXXTECCNQWJGU-ZOWXZIJZSA-N 1 2 279.336 1.070 20 10 CDCDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001203874851 925111215 /nfs/dbraw/zinc/11/12/15/925111215.db2.gz DHXXTECCNQWJGU-ZOWXZIJZSA-N 1 2 279.336 1.070 20 10 CDCDLO Oc1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1O ZINC001203878465 925149678 /nfs/dbraw/zinc/14/96/78/925149678.db2.gz AFCBDLUQRZIFFZ-NSHDSACASA-N 1 2 284.306 1.623 20 10 CDCDLO Oc1ccc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1O ZINC001203878465 925149685 /nfs/dbraw/zinc/14/96/85/925149685.db2.gz AFCBDLUQRZIFFZ-NSHDSACASA-N 1 2 284.306 1.623 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC3(CCN3C)C2)c(OC)c1 ZINC001276193747 932627627 /nfs/dbraw/zinc/62/76/27/932627627.db2.gz IHKIIGNPMZPJOT-UHFFFAOYSA-N 1 2 278.352 1.299 20 10 CDCDLO Oc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1O ZINC001203875826 939710237 /nfs/dbraw/zinc/71/02/37/939710237.db2.gz WOQONDHWTJGKDZ-CQSZACIVSA-N 1 2 265.309 1.089 20 10 CDCDLO Oc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1O ZINC001203875826 939710238 /nfs/dbraw/zinc/71/02/38/939710238.db2.gz WOQONDHWTJGKDZ-CQSZACIVSA-N 1 2 265.309 1.089 20 10 CDCDLO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(F)c(F)c1O ZINC001276856646 941650378 /nfs/dbraw/zinc/65/03/78/941650378.db2.gz FNUONEVMNYBPBI-PHIMTYICSA-N 1 2 284.306 1.185 20 10 CDCDLO C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(F)c(F)c1O ZINC001276856646 941650379 /nfs/dbraw/zinc/65/03/79/941650379.db2.gz FNUONEVMNYBPBI-PHIMTYICSA-N 1 2 284.306 1.185 20 10 CDCDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(O)cc1O ZINC001231637345 942954136 /nfs/dbraw/zinc/95/41/36/942954136.db2.gz JPUZQAFBLBJZQG-NSHDSACASA-N 1 2 295.335 1.634 20 10 CDCDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)c(O)cc1O ZINC001231637345 942954141 /nfs/dbraw/zinc/95/41/41/942954141.db2.gz JPUZQAFBLBJZQG-NSHDSACASA-N 1 2 295.335 1.634 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001233332792 943546561 /nfs/dbraw/zinc/54/65/61/943546561.db2.gz XSSABJSNUQTBSE-JTQLQIEISA-N 1 2 284.306 1.187 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001233332792 943546565 /nfs/dbraw/zinc/54/65/65/943546565.db2.gz XSSABJSNUQTBSE-JTQLQIEISA-N 1 2 284.306 1.187 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)C[C@H]2C)cc1OC ZINC001236750643 944557308 /nfs/dbraw/zinc/55/73/08/944557308.db2.gz VOYLQOLVUDDLIE-SNVBAGLBSA-N 1 2 279.336 1.963 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCC(=O)C[C@H]2C)cc1OC ZINC001236750643 944557315 /nfs/dbraw/zinc/55/73/15/944557315.db2.gz VOYLQOLVUDDLIE-SNVBAGLBSA-N 1 2 279.336 1.963 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1ccc(CC)cc1O ZINC001236786901 944559545 /nfs/dbraw/zinc/55/95/45/944559545.db2.gz RXHRGSZJIVOQAZ-UHFFFAOYSA-N 1 2 251.326 1.950 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1ccc(CC)cc1O ZINC001236786901 944559554 /nfs/dbraw/zinc/55/95/54/944559554.db2.gz RXHRGSZJIVOQAZ-UHFFFAOYSA-N 1 2 251.326 1.950 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC3(COC3)C2)c(Cl)c1 ZINC001236798332 944570086 /nfs/dbraw/zinc/57/00/86/944570086.db2.gz NILALXWUOBKNFC-UHFFFAOYSA-N 1 2 269.728 1.886 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1O ZINC001237935186 945011065 /nfs/dbraw/zinc/01/10/65/945011065.db2.gz RAOLDPFPELUUKD-JOYOIKCWSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1O ZINC001237935186 945011075 /nfs/dbraw/zinc/01/10/75/945011075.db2.gz RAOLDPFPELUUKD-JOYOIKCWSA-N 1 2 289.734 1.360 20 10 CDCDLO CCOc1ccc(C[NH+]2CC(NC(=O)OC)C2)c(O)c1 ZINC001328218916 955230367 /nfs/dbraw/zinc/23/03/67/955230367.db2.gz DFDNPAUQAZXERK-UHFFFAOYSA-N 1 2 280.324 1.331 20 10 CDCDLO CN(C)[C@@H](C(=O)Nc1ccc(N)cc1)c1c[nH+]cn1C ZINC001356608621 969440994 /nfs/dbraw/zinc/44/09/94/969440994.db2.gz QRPKQEWAKQRUIP-CYBMUJFWSA-N 1 2 273.340 1.244 20 10 CDCDLO COC[C@@H](O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000224933729 359538114 /nfs/dbraw/zinc/53/81/14/359538114.db2.gz LMHFYNNZNZFJEA-JTQLQIEISA-N 1 2 259.733 1.533 20 10 CDCDLO CNC(=O)N1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271205389 364974504 /nfs/dbraw/zinc/97/45/04/364974504.db2.gz ZNZXBTFYBDDTMH-UHFFFAOYSA-N 1 2 294.374 1.349 20 10 CDCDLO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276988431 293100725 /nfs/dbraw/zinc/10/07/25/293100725.db2.gz XCRDUVJADNAJFA-IUCAKERBSA-N 1 2 275.295 1.718 20 10 CDCDLO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000276885446 328219848 /nfs/dbraw/zinc/21/98/48/328219848.db2.gz GQENYVDEKDBZGY-PRHODGIISA-N 1 2 297.305 1.788 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](CO)O1 ZINC000787417112 1162052145 /nfs/dbraw/zinc/05/21/45/1162052145.db2.gz IXWOVEGNEAZELJ-DGCLKSJQSA-N 1 2 282.359 1.473 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](CO)O1 ZINC000787417112 1162052148 /nfs/dbraw/zinc/05/21/48/1162052148.db2.gz IXWOVEGNEAZELJ-DGCLKSJQSA-N 1 2 282.359 1.473 20 10 CDCDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCO1 ZINC000278591113 522361242 /nfs/dbraw/zinc/36/12/42/522361242.db2.gz GYEMRFQJSCGUCX-OCCSQVGLSA-N 1 2 296.323 1.584 20 10 CDCDLO COCC(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000128702765 522748976 /nfs/dbraw/zinc/74/89/76/522748976.db2.gz OCZRRHVXFHBKBP-UHFFFAOYSA-N 1 2 298.770 1.336 20 10 CDCDLO COC(=O)[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000276258260 523632402 /nfs/dbraw/zinc/63/24/02/523632402.db2.gz AQALJKZIJWIGGH-ZDUSSCGKSA-N 1 2 295.310 1.775 20 10 CDCDLO Cc1nc(C(C)(C)[NH2+]Cc2cc3c(cc2O)OCO3)no1 ZINC000264360038 526663790 /nfs/dbraw/zinc/66/37/90/526663790.db2.gz GAWBJAHTNRXCLM-UHFFFAOYSA-N 1 2 291.307 1.837 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](C(=O)OC)C2)c1O ZINC000769333140 576346595 /nfs/dbraw/zinc/34/65/95/576346595.db2.gz QOVZPHHTPRCWOG-CYBMUJFWSA-N 1 2 295.335 1.165 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCO[C@@H](C(=O)OC)C2)c1O ZINC000769333140 576346597 /nfs/dbraw/zinc/34/65/97/576346597.db2.gz QOVZPHHTPRCWOG-CYBMUJFWSA-N 1 2 295.335 1.165 20 10 CDCDLO COc1ccc(C[NH+]2CCN(C(C)=O)CC2)c(O)c1OC ZINC000891445713 617399129 /nfs/dbraw/zinc/39/91/29/617399129.db2.gz UDRJVJQZARLBBU-UHFFFAOYSA-N 1 2 294.351 1.074 20 10 CDCDLO COc1c(O)c(C[NH2+]C(CF)CF)ccc1[N+](=O)[O-] ZINC000824555076 618580748 /nfs/dbraw/zinc/58/07/48/618580748.db2.gz PUOOBVGQAWERNH-UHFFFAOYSA-N 1 2 276.239 1.706 20 10 CDCDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894536529 618954754 /nfs/dbraw/zinc/95/47/54/618954754.db2.gz AFIPUCDRUGJVKE-DYLAAIIWSA-N 1 2 296.317 1.756 20 10 CDCDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894536529 618954757 /nfs/dbraw/zinc/95/47/57/618954757.db2.gz AFIPUCDRUGJVKE-DYLAAIIWSA-N 1 2 296.317 1.756 20 10 CDCDLO Cn1nccc1[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000897562908 620997642 /nfs/dbraw/zinc/99/76/42/620997642.db2.gz HWMQYAPMJUMZRZ-OAHLLOKOSA-N 1 2 291.326 1.838 20 10 CDCDLO Cc1[nH]c(/C=C2\SC(N3CCOCC3)=NC2=O)[nH+]c1C ZINC000901441428 624252975 /nfs/dbraw/zinc/25/29/75/624252975.db2.gz BGKJQOVYWGBPPH-YFHOEESVSA-N 1 2 292.364 1.329 20 10 CDCDLO C[C@@H]1C[NH+](Cc2cc3c(cc2O)OCO3)C[C@@H](C)S1=O ZINC000792193248 1162267372 /nfs/dbraw/zinc/26/73/72/1162267372.db2.gz UJLVRKREZNDLSM-NXEZZACHSA-N 1 2 297.376 1.462 20 10 CDCDLO CC[C@H]([NH2+]CCOC)c1cccc(-c2nn[nH]n2)c1O ZINC001604052961 1175735176 /nfs/dbraw/zinc/73/51/76/1175735176.db2.gz ADXZAULXJDLGGT-NSHDSACASA-N 1 2 277.328 1.259 20 10 CDCDLO [NH3+]C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000164668547 898678544 /nfs/dbraw/zinc/67/85/44/898678544.db2.gz HUCUIVQPUZWVCW-JTQLQIEISA-N 1 2 291.178 1.859 20 10 CDCDLO COc1cc(Cl)cc(C[NH+]2CCN(C(C)=O)CC2)c1O ZINC000184672024 917683489 /nfs/dbraw/zinc/68/34/89/917683489.db2.gz XJYXONRAXVUKEP-UHFFFAOYSA-N 1 2 298.770 1.718 20 10 CDCDLO COc1cccc(C[N@@H+]2CCc3nn[nH]c3C2)c1O ZINC000827884363 936612392 /nfs/dbraw/zinc/61/23/92/936612392.db2.gz AMCUNNYTPKGXOZ-UHFFFAOYSA-N 1 2 260.297 1.077 20 10 CDCDLO COc1cccc(C[N@H+]2CCc3nn[nH]c3C2)c1O ZINC000827884363 936612393 /nfs/dbraw/zinc/61/23/93/936612393.db2.gz AMCUNNYTPKGXOZ-UHFFFAOYSA-N 1 2 260.297 1.077 20 10 CDCDLO COCC(COC)[NH2+]Cc1cccc(Cl)c1O ZINC000388422030 936643003 /nfs/dbraw/zinc/64/30/03/936643003.db2.gz IGWFGYFZBHIXQY-UHFFFAOYSA-N 1 2 259.733 1.797 20 10 CDCDLO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000391400473 936657877 /nfs/dbraw/zinc/65/78/77/936657877.db2.gz QUZUYOYREQOTEC-UHFFFAOYSA-N 1 2 291.800 1.958 20 10 CDCDLO COC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466217 936712814 /nfs/dbraw/zinc/71/28/14/936712814.db2.gz BNQWYEBOOKNGMY-UHFFFAOYSA-N 1 2 298.770 1.336 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC(N3CC(F)C3)C2)c(OC)c1 ZINC001141031451 936794985 /nfs/dbraw/zinc/79/49/85/936794985.db2.gz FEWPHDAIIFKWTP-UHFFFAOYSA-N 1 2 296.342 1.247 20 10 CDCDLO Oc1cccc(F)c1C[NH+]1CCN(CC(F)F)CC1 ZINC001137838746 923035975 /nfs/dbraw/zinc/03/59/75/923035975.db2.gz JPXQALPUQOLFTE-UHFFFAOYSA-N 1 2 274.286 1.914 20 10 CDCDLO O=C(C1CCC1)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159263 936822052 /nfs/dbraw/zinc/82/20/52/936822052.db2.gz BMJISMKLWFPZSE-UHFFFAOYSA-N 1 2 290.363 1.542 20 10 CDCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCNC1=O ZINC000775744491 924986663 /nfs/dbraw/zinc/98/66/63/924986663.db2.gz NLWYQTWHQNRDTA-JTQLQIEISA-N 1 2 272.707 1.505 20 10 CDCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCNC1=O ZINC000775744491 924986665 /nfs/dbraw/zinc/98/66/65/924986665.db2.gz NLWYQTWHQNRDTA-JTQLQIEISA-N 1 2 272.707 1.505 20 10 CDCDLO CC(C)(C)c1cccc(C[N@@H+]2CCNC(=O)C2)c1O ZINC001143104008 937120593 /nfs/dbraw/zinc/12/05/93/937120593.db2.gz OAPFPSMCLBYENE-UHFFFAOYSA-N 1 2 262.353 1.622 20 10 CDCDLO CC(C)(C)c1cccc(C[N@H+]2CCNC(=O)C2)c1O ZINC001143104008 937120595 /nfs/dbraw/zinc/12/05/95/937120595.db2.gz OAPFPSMCLBYENE-UHFFFAOYSA-N 1 2 262.353 1.622 20 10 CDCDLO Cc1cc(O)c(CN2CC[N@H+](CCO)C(C)(C)C2)cc1C ZINC000783714527 937278741 /nfs/dbraw/zinc/27/87/41/937278741.db2.gz RDWJBQBWLLNUCC-UHFFFAOYSA-N 1 2 292.423 1.898 20 10 CDCDLO Cc1cc(O)c(CN2CC[N@@H+](CCO)C(C)(C)C2)cc1C ZINC000783714527 937278743 /nfs/dbraw/zinc/27/87/43/937278743.db2.gz RDWJBQBWLLNUCC-UHFFFAOYSA-N 1 2 292.423 1.898 20 10 CDCDLO CCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883044879 930132752 /nfs/dbraw/zinc/13/27/52/930132752.db2.gz GSHLHALTNCBHTL-NSHDSACASA-N 1 2 284.306 1.771 20 10 CDCDLO O=C(Cc1[nH]cc[nH+]1)NCc1ccc(N2CCCC2)cc1 ZINC000816866307 930376090 /nfs/dbraw/zinc/37/60/90/930376090.db2.gz LNZMJPWGOLJJBR-UHFFFAOYSA-N 1 2 284.363 1.869 20 10 CDCDLO CN1CC[C@@]2(CCC[N@@H+]2Cc2c(O)ccc(F)c2F)C1=O ZINC001274149078 931201173 /nfs/dbraw/zinc/20/11/73/931201173.db2.gz JBFZQUSBMUEJFE-HNNXBMFYSA-N 1 2 296.317 1.867 20 10 CDCDLO CN1CC[C@@]2(CCC[N@H+]2Cc2c(O)ccc(F)c2F)C1=O ZINC001274149078 931201179 /nfs/dbraw/zinc/20/11/79/931201179.db2.gz JBFZQUSBMUEJFE-HNNXBMFYSA-N 1 2 296.317 1.867 20 10 CDCDLO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000825067840 931490414 /nfs/dbraw/zinc/49/04/14/931490414.db2.gz FWIDROFYMHIEDP-SSDOTTSWSA-N 1 2 274.723 1.799 20 10 CDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nnc(C)o2)cc1 ZINC000844400066 931595223 /nfs/dbraw/zinc/59/52/23/931595223.db2.gz UVLUQVHNLREGQT-UHFFFAOYSA-N 1 2 290.367 1.955 20 10 CDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nnc(C)o2)cc1 ZINC000844400066 931595227 /nfs/dbraw/zinc/59/52/27/931595227.db2.gz UVLUQVHNLREGQT-UHFFFAOYSA-N 1 2 290.367 1.955 20 10 CDCDLO O=C(NCCCNc1cccc[nH+]1)c1cccc(O)c1O ZINC000187553840 934337465 /nfs/dbraw/zinc/33/74/65/934337465.db2.gz BHAALIPWFREZDL-UHFFFAOYSA-N 1 2 287.319 1.725 20 10 CDCDLO COc1cc(C[N@H+](C)CCS(C)(=O)=O)c(O)cc1C ZINC000160124078 934417835 /nfs/dbraw/zinc/41/78/35/934417835.db2.gz SKMILOSTLAYIEV-UHFFFAOYSA-N 1 2 287.381 1.186 20 10 CDCDLO COc1cc(C[N@@H+](C)CCS(C)(=O)=O)c(O)cc1C ZINC000160124078 934417842 /nfs/dbraw/zinc/41/78/42/934417842.db2.gz SKMILOSTLAYIEV-UHFFFAOYSA-N 1 2 287.381 1.186 20 10 CDCDLO COCCOC1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000779432692 934566892 /nfs/dbraw/zinc/56/68/92/934566892.db2.gz ZTSQREREMBCUKD-UHFFFAOYSA-N 1 2 264.369 1.600 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CCO1 ZINC001204450465 939765034 /nfs/dbraw/zinc/76/50/34/939765034.db2.gz WGCSAIGNAQPAIP-CQSZACIVSA-N 1 2 295.335 1.083 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)CCO1 ZINC001204450465 939765037 /nfs/dbraw/zinc/76/50/37/939765037.db2.gz WGCSAIGNAQPAIP-CQSZACIVSA-N 1 2 295.335 1.083 20 10 CDCDLO C[N@H+]1C[C@H]2CN(Cc3cccc(F)c3O)C[C@@H](C1)O2 ZINC001276537935 940210194 /nfs/dbraw/zinc/21/01/94/940210194.db2.gz QWDGETYLORSJSM-TXEJJXNPSA-N 1 2 266.316 1.046 20 10 CDCDLO C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3O)C[C@@H](C1)O2 ZINC001276537935 940210197 /nfs/dbraw/zinc/21/01/97/940210197.db2.gz QWDGETYLORSJSM-TXEJJXNPSA-N 1 2 266.316 1.046 20 10 CDCDLO COc1ccc(C[NH2+]Cc2nnc(C3CC3)o2)c(O)c1 ZINC001217718876 941009905 /nfs/dbraw/zinc/00/99/05/941009905.db2.gz QSBLVHJHFJQEDA-UHFFFAOYSA-N 1 2 275.308 1.951 20 10 CDCDLO COc1cc(C[NH+]2CC3(C2)CCCCO3)c(O)cc1O ZINC001231633644 942949986 /nfs/dbraw/zinc/94/99/86/942949986.db2.gz RKIXIPUSVSTONT-UHFFFAOYSA-N 1 2 279.336 1.861 20 10 CDCDLO CC1(CO)C[NH+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259946 943193202 /nfs/dbraw/zinc/19/32/02/943193202.db2.gz NRKHPLMXHSVSOE-UHFFFAOYSA-N 1 2 257.717 1.565 20 10 CDCDLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010320 943460258 /nfs/dbraw/zinc/46/02/58/943460258.db2.gz OKNVYAYPVMZAKQ-WPRPVWTQSA-N 1 2 255.289 1.983 20 10 CDCDLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010320 943460262 /nfs/dbraw/zinc/46/02/62/943460262.db2.gz OKNVYAYPVMZAKQ-WPRPVWTQSA-N 1 2 255.289 1.983 20 10 CDCDLO Oc1c(C[N@@H+]2CCOC[C@@H](O)C2)cccc1C(F)(F)F ZINC001233415565 943579627 /nfs/dbraw/zinc/57/96/27/943579627.db2.gz AVVLTDXFLHKOMP-JTQLQIEISA-N 1 2 291.269 1.604 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1O ZINC001237076932 944652659 /nfs/dbraw/zinc/65/26/59/944652659.db2.gz AWSRWLDSGDUJJD-HQJQHLMTSA-N 1 2 292.162 1.484 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1O ZINC001237076932 944652666 /nfs/dbraw/zinc/65/26/66/944652666.db2.gz AWSRWLDSGDUJJD-HQJQHLMTSA-N 1 2 292.162 1.484 20 10 CDCDLO c1cc(N2CCCC2)ccc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC001327766829 955034936 /nfs/dbraw/zinc/03/49/36/955034936.db2.gz PYKIRWBOHAGJIV-UHFFFAOYSA-N 1 2 283.379 1.963 20 10 CDCDLO c1cc(N2CCCC2)ccc1C[N@H+]1CCc2nn[nH]c2C1 ZINC001327766829 955034948 /nfs/dbraw/zinc/03/49/48/955034948.db2.gz PYKIRWBOHAGJIV-UHFFFAOYSA-N 1 2 283.379 1.963 20 10 CDCDLO Cc1cccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c1O ZINC000848924259 969356277 /nfs/dbraw/zinc/35/62/77/969356277.db2.gz OVLWSOWDTLNYKM-LBPRGKRZSA-N 1 2 288.351 1.960 20 10 CDCDLO CCOc1cccc(C[N@H+]2CC(=O)N[C@H](C)C2)c1O ZINC000295099733 199344915 /nfs/dbraw/zinc/34/49/15/199344915.db2.gz USQNMOMJAWZRLD-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1O ZINC000295099733 199344917 /nfs/dbraw/zinc/34/49/17/199344917.db2.gz USQNMOMJAWZRLD-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO COC(=O)N1CC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000273528114 291181450 /nfs/dbraw/zinc/18/14/50/291181450.db2.gz VUMKLJYXCFZOLJ-QMMMGPOBSA-N 1 2 295.295 1.402 20 10 CDCDLO CCN(CC)c1ccc(C[NH+]2CC(O)(COC)C2)cc1 ZINC000297345703 200156406 /nfs/dbraw/zinc/15/64/06/200156406.db2.gz GAPWFZMNTRTLFU-UHFFFAOYSA-N 1 2 278.396 1.726 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000188993763 296142690 /nfs/dbraw/zinc/14/26/90/296142690.db2.gz ABQMPONYKFCXAU-SFYZADRCSA-N 1 2 272.295 1.798 20 10 CDCDLO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187925321 284280606 /nfs/dbraw/zinc/28/06/06/284280606.db2.gz BLWZNPSKFVBHLQ-QMMMGPOBSA-N 1 2 272.295 1.799 20 10 CDCDLO COCCc1noc(C[N@H+](C)Cc2cc(C)ccc2O)n1 ZINC000093587461 390903361 /nfs/dbraw/zinc/90/33/61/390903361.db2.gz BBBBNKOREUSJNS-UHFFFAOYSA-N 1 2 291.351 1.905 20 10 CDCDLO COCCc1noc(C[N@@H+](C)Cc2cc(C)ccc2O)n1 ZINC000093587461 390903362 /nfs/dbraw/zinc/90/33/62/390903362.db2.gz BBBBNKOREUSJNS-UHFFFAOYSA-N 1 2 291.351 1.905 20 10 CDCDLO CCOc1cccc(C[NH2+]CC(F)(F)CO)c1O ZINC000183889466 391273512 /nfs/dbraw/zinc/27/35/12/391273512.db2.gz ARUNAAZAXUWUDA-UHFFFAOYSA-N 1 2 261.268 1.508 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000195017381 391373931 /nfs/dbraw/zinc/37/39/31/391373931.db2.gz FCJQCGWGIRMEOZ-INIZCTEOSA-N 1 2 293.363 1.782 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000195017381 391373935 /nfs/dbraw/zinc/37/39/35/391373935.db2.gz FCJQCGWGIRMEOZ-INIZCTEOSA-N 1 2 293.363 1.782 20 10 CDCDLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276145048 285569828 /nfs/dbraw/zinc/56/98/28/285569828.db2.gz CXVJVJNPRVKORC-JGVFFNPUSA-N 1 2 272.295 1.846 20 10 CDCDLO O=C1NC[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000156064730 263044892 /nfs/dbraw/zinc/04/48/92/263044892.db2.gz RTUGGSBGXCEJCJ-SECBINFHSA-N 1 2 281.743 1.255 20 10 CDCDLO O=C1NC[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000156064730 263044893 /nfs/dbraw/zinc/04/48/93/263044893.db2.gz RTUGGSBGXCEJCJ-SECBINFHSA-N 1 2 281.743 1.255 20 10 CDCDLO CN(C)C(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000124753699 329573591 /nfs/dbraw/zinc/57/35/91/329573591.db2.gz FDSVXRNCRAWAJI-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1COCCN1 ZINC000530182027 333527413 /nfs/dbraw/zinc/52/74/13/333527413.db2.gz QCHLKZSBHRRUGL-SNVBAGLBSA-N 1 2 274.723 1.263 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1OC ZINC000703595328 1161516091 /nfs/dbraw/zinc/51/60/91/1161516091.db2.gz QBBZCPLAHJAIRJ-PHIMTYICSA-N 1 2 273.279 1.516 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1OC ZINC000703595328 1161516095 /nfs/dbraw/zinc/51/60/95/1161516095.db2.gz QBBZCPLAHJAIRJ-PHIMTYICSA-N 1 2 273.279 1.516 20 10 CDCDLO COc1ccc(O)c([C@@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC000728982239 574680996 /nfs/dbraw/zinc/68/09/96/574680996.db2.gz LBZWEQVLPYIOMO-LLVKDONJSA-N 1 2 289.335 1.865 20 10 CDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(F)(F)CO)c1 ZINC000768286742 576268240 /nfs/dbraw/zinc/26/82/40/576268240.db2.gz NVVAATKQALWUTH-MRVPVSSYSA-N 1 2 289.278 1.457 20 10 CDCDLO NC(=O)c1cc(C[NH2+]Cc2c(O)cccc2Cl)on1 ZINC000757904884 577059623 /nfs/dbraw/zinc/05/96/23/577059623.db2.gz AMAVARUCJHGPKI-UHFFFAOYSA-N 1 2 281.699 1.422 20 10 CDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000830467237 618628158 /nfs/dbraw/zinc/62/81/58/618628158.db2.gz JKESOBRDTGYOLP-CQSZACIVSA-N 1 2 293.386 1.755 20 10 CDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](F)C2)cc1 ZINC000830467237 618628159 /nfs/dbraw/zinc/62/81/59/618628159.db2.gz JKESOBRDTGYOLP-CQSZACIVSA-N 1 2 293.386 1.755 20 10 CDCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)N(C)C ZINC000792193730 1162267004 /nfs/dbraw/zinc/26/70/04/1162267004.db2.gz ZCTDNERUUDYVSY-ZETCQYMHSA-N 1 2 274.723 1.751 20 10 CDCDLO Nc1ccc(C[NH+]2CCN(CC(F)(F)F)CC2)cc1 ZINC000061940705 1167695430 /nfs/dbraw/zinc/69/54/30/1167695430.db2.gz RXQZRZRONIBKLE-UHFFFAOYSA-N 1 2 273.302 1.949 20 10 CDCDLO CC[C@H](COC)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604039106 1175729533 /nfs/dbraw/zinc/72/95/33/1175729533.db2.gz GFKQKSHILMREAU-NXEZZACHSA-N 1 2 291.355 1.648 20 10 CDCDLO COc1cccc(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)c1O ZINC000792193281 783612089 /nfs/dbraw/zinc/61/20/89/783612089.db2.gz UULCJJLWFNEPID-GHMZBOCLSA-N 1 2 283.393 1.742 20 10 CDCDLO C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccccc1O ZINC000827947000 783680595 /nfs/dbraw/zinc/68/05/95/783680595.db2.gz XYKDHRFSVVKKIV-LLPBQKLSSA-N 1 2 290.363 1.458 20 10 CDCDLO [NH3+]C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000164668440 783735274 /nfs/dbraw/zinc/73/52/74/783735274.db2.gz HUCUIVQPUZWVCW-SNVBAGLBSA-N 1 2 291.178 1.859 20 10 CDCDLO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000778929907 783795719 /nfs/dbraw/zinc/79/57/19/783795719.db2.gz OIMRCSQFZJTUJY-NSHDSACASA-N 1 2 287.319 1.173 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnn(C)n1)c1ccc(Cl)cc1O ZINC000841752176 784071313 /nfs/dbraw/zinc/07/13/13/784071313.db2.gz MUUCANXESWLMIL-SSDOTTSWSA-N 1 2 267.720 1.420 20 10 CDCDLO CN(C)c1ccc(CN(C)C(=O)Cc2c[nH+]cn2C)cc1 ZINC000186786778 784887129 /nfs/dbraw/zinc/88/71/29/784887129.db2.gz AZZFUAFNJBOTNH-UHFFFAOYSA-N 1 2 286.379 1.687 20 10 CDCDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000708422243 785058438 /nfs/dbraw/zinc/05/84/38/785058438.db2.gz LACSQRXJUBJOQT-ASCAZGACSA-N 1 2 277.336 1.869 20 10 CDCDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000708422243 785058446 /nfs/dbraw/zinc/05/84/46/785058446.db2.gz LACSQRXJUBJOQT-ASCAZGACSA-N 1 2 277.336 1.869 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824567705 786494056 /nfs/dbraw/zinc/49/40/56/786494056.db2.gz UJWVGNPVHSLNOH-UHFFFAOYSA-N 1 2 257.717 1.959 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824567705 786494087 /nfs/dbraw/zinc/49/40/87/786494087.db2.gz UJWVGNPVHSLNOH-UHFFFAOYSA-N 1 2 257.717 1.959 20 10 CDCDLO CC[C@H]([NH2+]Cc1nnn(C)n1)c1cc(Cl)ccc1O ZINC000787042978 787069557 /nfs/dbraw/zinc/06/95/57/787069557.db2.gz QSWNPYSPJIDFST-JTQLQIEISA-N 1 2 281.747 1.810 20 10 CDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840916424 787897164 /nfs/dbraw/zinc/89/71/64/787897164.db2.gz KMEOVGRPLPZUEB-UHFFFAOYSA-N 1 2 298.452 1.928 20 10 CDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840916424 787897165 /nfs/dbraw/zinc/89/71/65/787897165.db2.gz KMEOVGRPLPZUEB-UHFFFAOYSA-N 1 2 298.452 1.928 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000775711550 788264555 /nfs/dbraw/zinc/26/45/55/788264555.db2.gz DVISXUWJUFCLBW-AWEZNQCLSA-N 1 2 295.335 1.165 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000775711550 788264573 /nfs/dbraw/zinc/26/45/73/788264573.db2.gz DVISXUWJUFCLBW-AWEZNQCLSA-N 1 2 295.335 1.165 20 10 CDCDLO CN1CC[C@@H]([N@H+](C)Cc2c(O)ccc(Cl)c2F)C1=O ZINC000792166945 788896980 /nfs/dbraw/zinc/89/69/80/788896980.db2.gz WAJGOIQQKFDAIO-SNVBAGLBSA-N 1 2 286.734 1.847 20 10 CDCDLO CN1CC[C@@H]([N@@H+](C)Cc2c(O)ccc(Cl)c2F)C1=O ZINC000792166945 788896981 /nfs/dbraw/zinc/89/69/81/788896981.db2.gz WAJGOIQQKFDAIO-SNVBAGLBSA-N 1 2 286.734 1.847 20 10 CDCDLO O=C(C1CC1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778995286 789310353 /nfs/dbraw/zinc/31/03/53/789310353.db2.gz QBRYFVMMEWIBPW-UHFFFAOYSA-N 1 2 278.327 1.586 20 10 CDCDLO Oc1ccc(C[NH+]2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC001204278879 916572815 /nfs/dbraw/zinc/57/28/15/916572815.db2.gz LOJHPTHYIPOWSZ-UHFFFAOYSA-N 1 2 290.285 1.778 20 10 CDCDLO OC[C@H]1CCn2nccc2C[N@@H+]1Cc1cccc(F)c1O ZINC001138131124 936476977 /nfs/dbraw/zinc/47/69/77/936476977.db2.gz RBXAZOUYHXKKRJ-CYBMUJFWSA-N 1 2 291.326 1.495 20 10 CDCDLO OC[C@H]1CCn2nccc2C[N@H+]1Cc1cccc(F)c1O ZINC001138131124 936476978 /nfs/dbraw/zinc/47/69/78/936476978.db2.gz RBXAZOUYHXKKRJ-CYBMUJFWSA-N 1 2 291.326 1.495 20 10 CDCDLO C[N@H+](CCN1CC[NH+](C)CC1)Cc1c(F)ccc(F)c1[O-] ZINC001139686070 936635513 /nfs/dbraw/zinc/63/55/13/936635513.db2.gz MGULLVWQUAXHAP-UHFFFAOYSA-N 1 2 299.365 1.350 20 10 CDCDLO C[N@@H+](CCN1CC[NH+](C)CC1)Cc1c(F)ccc(F)c1[O-] ZINC001139686070 936635514 /nfs/dbraw/zinc/63/55/14/936635514.db2.gz MGULLVWQUAXHAP-UHFFFAOYSA-N 1 2 299.365 1.350 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1c(O)cccc1Cl ZINC001140337863 936703091 /nfs/dbraw/zinc/70/30/91/936703091.db2.gz JWXKMEZORMBHNH-BDAKNGLRSA-N 1 2 259.708 1.950 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1c(O)cccc1Cl ZINC001140337863 936703093 /nfs/dbraw/zinc/70/30/93/936703093.db2.gz JWXKMEZORMBHNH-BDAKNGLRSA-N 1 2 259.708 1.950 20 10 CDCDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466949 936712400 /nfs/dbraw/zinc/71/24/00/936712400.db2.gz NIRLFRHHOZDVHB-NSHDSACASA-N 1 2 289.784 1.665 20 10 CDCDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466949 936712401 /nfs/dbraw/zinc/71/24/01/936712401.db2.gz NIRLFRHHOZDVHB-NSHDSACASA-N 1 2 289.784 1.665 20 10 CDCDLO Oc1ccc(O)c(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC001141158826 936822568 /nfs/dbraw/zinc/82/25/68/936822568.db2.gz OICDSRBGJYVELW-HNNXBMFYSA-N 1 2 292.379 1.394 20 10 CDCDLO O=C(c1cc(O)c(O)c(Cl)c1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001193613055 923806306 /nfs/dbraw/zinc/80/63/06/923806306.db2.gz YQAPXSQVHRQAJV-VIFPVBQESA-N 1 2 282.727 1.281 20 10 CDCDLO O=C(c1cc(O)c(O)c(Cl)c1)N1CC[N@H+]2CC[C@H]2C1 ZINC001193613055 923806316 /nfs/dbraw/zinc/80/63/16/923806316.db2.gz YQAPXSQVHRQAJV-VIFPVBQESA-N 1 2 282.727 1.281 20 10 CDCDLO O=S1(=O)CCN(c2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC001242018495 927284640 /nfs/dbraw/zinc/28/46/40/927284640.db2.gz IZVWCGXRJYOJPS-UHFFFAOYSA-N 1 2 277.349 1.312 20 10 CDCDLO CC[C@H]([NH2+]CC[NH2+]CCOC)c1ccccc1O ZINC000817964792 930646093 /nfs/dbraw/zinc/64/60/93/930646093.db2.gz IYYCRTZDRMPIPG-ZDUSSCGKSA-N 1 2 252.358 1.669 20 10 CDCDLO Oc1ccc(Cl)cc1C[NH+]1CC(N2CCOCC2)C1 ZINC001203657036 939699832 /nfs/dbraw/zinc/69/98/32/939699832.db2.gz CCCHZKCYPZHDLW-UHFFFAOYSA-N 1 2 282.771 1.562 20 10 CDCDLO CN(C)c1ccc(C[NH+]2CC3(C2)CS(=O)C3)cc1 ZINC001203931501 939714689 /nfs/dbraw/zinc/71/46/89/939714689.db2.gz SDRFIWSFUQSHHK-UHFFFAOYSA-N 1 2 264.394 1.317 20 10 CDCDLO CCc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c(O)c1 ZINC001276804586 941340240 /nfs/dbraw/zinc/34/02/40/941340240.db2.gz HYUSQYYBDUNFEP-GASCZTMLSA-N 1 2 276.380 1.469 20 10 CDCDLO CCc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c(O)c1 ZINC001276804586 941340242 /nfs/dbraw/zinc/34/02/42/941340242.db2.gz HYUSQYYBDUNFEP-GASCZTMLSA-N 1 2 276.380 1.469 20 10 CDCDLO Oc1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc(O)c1O ZINC001233009806 943460339 /nfs/dbraw/zinc/46/03/39/943460339.db2.gz BRSLMISCVREHIC-NSHDSACASA-N 1 2 293.241 1.303 20 10 CDCDLO Oc1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc(O)c1O ZINC001233009806 943460340 /nfs/dbraw/zinc/46/03/40/943460340.db2.gz BRSLMISCVREHIC-NSHDSACASA-N 1 2 293.241 1.303 20 10 CDCDLO NC(=O)NC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233331627 943545589 /nfs/dbraw/zinc/54/55/89/943545589.db2.gz DPIVTVKCFJRUGH-UHFFFAOYSA-N 1 2 285.294 1.303 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001233331986 943546852 /nfs/dbraw/zinc/54/68/52/943546852.db2.gz SMBJMBOQJSXNKX-KCJUWKMLSA-N 1 2 261.243 1.575 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001233331986 943546854 /nfs/dbraw/zinc/54/68/54/943546854.db2.gz SMBJMBOQJSXNKX-KCJUWKMLSA-N 1 2 261.243 1.575 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236820882 944580859 /nfs/dbraw/zinc/58/08/59/944580859.db2.gz NZVXDXWQSCEZML-UHFFFAOYSA-N 1 2 253.298 1.314 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236820882 944580863 /nfs/dbraw/zinc/58/08/63/944580863.db2.gz NZVXDXWQSCEZML-UHFFFAOYSA-N 1 2 253.298 1.314 20 10 CDCDLO Cc1cc(F)cc(C[N@H+]2CCN(C)C(=O)[C@H]2C)c1O ZINC001238067817 945048453 /nfs/dbraw/zinc/04/84/53/945048453.db2.gz VCVBQOXNHKDHHO-SNVBAGLBSA-N 1 2 266.316 1.502 20 10 CDCDLO Cc1cc(F)cc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c1O ZINC001238067817 945048443 /nfs/dbraw/zinc/04/84/43/945048443.db2.gz VCVBQOXNHKDHHO-SNVBAGLBSA-N 1 2 266.316 1.502 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1c(O)cccc1F ZINC001331229584 956902670 /nfs/dbraw/zinc/90/26/70/956902670.db2.gz LTYVEKWSMJYGAB-SECBINFHSA-N 1 2 292.314 1.504 20 10 CDCDLO Cc1nnc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)n1C ZINC001337785464 961421839 /nfs/dbraw/zinc/42/18/39/961421839.db2.gz NJGCXDBKFKWIJM-ZETCQYMHSA-N 1 2 282.294 1.958 20 10 CDCDLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(N)cc1 ZINC001522215812 970409863 /nfs/dbraw/zinc/40/98/63/970409863.db2.gz GQWYKJNGIAVEOX-NSHDSACASA-N 1 2 270.336 1.691 20 10 CDCDLO c1ncn2c1C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000370667502 267336159 /nfs/dbraw/zinc/33/61/59/267336159.db2.gz NCNJLXJLCSLVJO-UHFFFAOYSA-N 1 2 298.390 1.736 20 10 CDCDLO c1ncn2c1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000370667502 267336162 /nfs/dbraw/zinc/33/61/62/267336162.db2.gz NCNJLXJLCSLVJO-UHFFFAOYSA-N 1 2 298.390 1.736 20 10 CDCDLO c1[nH+]cn2c1CN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000370667502 267336167 /nfs/dbraw/zinc/33/61/67/267336167.db2.gz NCNJLXJLCSLVJO-UHFFFAOYSA-N 1 2 298.390 1.736 20 10 CDCDLO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591323934 1173608836 /nfs/dbraw/zinc/60/88/36/1173608836.db2.gz GMKMCCCSFZLUIB-GUBZILKMSA-N 1 2 291.355 1.646 20 10 CDCDLO CCOc1cccc(C[NH2+][C@H](C)c2ncn(C)n2)c1O ZINC000275827476 326945554 /nfs/dbraw/zinc/94/55/54/326945554.db2.gz NSINDVRZWCVGEA-SNVBAGLBSA-N 1 2 276.340 1.770 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000377833429 329031150 /nfs/dbraw/zinc/03/11/50/329031150.db2.gz DPQBICMILMCFQE-LBPRGKRZSA-N 1 2 283.299 1.295 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC000377833429 329031151 /nfs/dbraw/zinc/03/11/51/329031151.db2.gz DPQBICMILMCFQE-LBPRGKRZSA-N 1 2 283.299 1.295 20 10 CDCDLO Cc1cc(Cl)cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1O ZINC000378440826 329050370 /nfs/dbraw/zinc/05/03/70/329050370.db2.gz CPGBKSAVYIUDEB-GFCCVEGCSA-N 1 2 296.754 1.990 20 10 CDCDLO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252738624 334388312 /nfs/dbraw/zinc/38/83/12/334388312.db2.gz FONGDJPMYXISOB-QWHCGFSZSA-N 1 2 296.798 1.998 20 10 CDCDLO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252738624 334388313 /nfs/dbraw/zinc/38/83/13/334388313.db2.gz FONGDJPMYXISOB-QWHCGFSZSA-N 1 2 296.798 1.998 20 10 CDCDLO CCOc1ccc(O)c(C[NH2+][C@@H](C(=O)OC)C2CC2)c1 ZINC000276498883 521155854 /nfs/dbraw/zinc/15/58/54/521155854.db2.gz RKWSKCFBGUTHHT-CQSZACIVSA-N 1 2 279.336 1.832 20 10 CDCDLO COCCOCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273442850 524010332 /nfs/dbraw/zinc/01/03/32/524010332.db2.gz YXLJQJRZJYNWEK-JTQLQIEISA-N 1 2 284.312 1.614 20 10 CDCDLO Cn1ncc2c1nc(C[N@H+](C)Cc1ccccc1O)[nH]c2=O ZINC000732203273 575083555 /nfs/dbraw/zinc/08/35/55/575083555.db2.gz UMTISQMNILPTBD-UHFFFAOYSA-N 1 2 299.334 1.407 20 10 CDCDLO Cn1ncc2c1nc(C[N@@H+](C)Cc1ccccc1O)[nH]c2=O ZINC000732203273 575083556 /nfs/dbraw/zinc/08/35/56/575083556.db2.gz UMTISQMNILPTBD-UHFFFAOYSA-N 1 2 299.334 1.407 20 10 CDCDLO COc1ccc(O)c(CNC(=O)NCc2[nH+]ccn2C)c1 ZINC000734071764 575155632 /nfs/dbraw/zinc/15/56/32/575155632.db2.gz XQEAOCCIBUUDKN-UHFFFAOYSA-N 1 2 290.323 1.134 20 10 CDCDLO COc1cc(N(C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000757920120 577061084 /nfs/dbraw/zinc/06/10/84/577061084.db2.gz IUMAQZXUKICJNH-UHFFFAOYSA-N 1 2 292.295 1.972 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1O ZINC000840975617 617968255 /nfs/dbraw/zinc/96/82/55/617968255.db2.gz PMCOQUXYTNTMIQ-BXKDBHETSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1O ZINC000840975617 617968266 /nfs/dbraw/zinc/96/82/66/617968266.db2.gz PMCOQUXYTNTMIQ-BXKDBHETSA-N 1 2 289.734 1.360 20 10 CDCDLO C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)[C@@H](C(N)=O)C1 ZINC000894500430 618926804 /nfs/dbraw/zinc/92/68/04/618926804.db2.gz NZTXTKRVQXLQKR-PRHODGIISA-N 1 2 284.306 1.756 20 10 CDCDLO C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)[C@@H](C(N)=O)C1 ZINC000894500430 618926808 /nfs/dbraw/zinc/92/68/08/618926808.db2.gz NZTXTKRVQXLQKR-PRHODGIISA-N 1 2 284.306 1.756 20 10 CDCDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895250995 619496053 /nfs/dbraw/zinc/49/60/53/619496053.db2.gz FJBUUAUNCJNELJ-LLVKDONJSA-N 1 2 298.289 1.697 20 10 CDCDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895250995 619496057 /nfs/dbraw/zinc/49/60/57/619496057.db2.gz FJBUUAUNCJNELJ-LLVKDONJSA-N 1 2 298.289 1.697 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1c(C)cccc1O ZINC000876738260 1165906150 /nfs/dbraw/zinc/90/61/50/1165906150.db2.gz ZUGHAGWUDXRHBZ-UHFFFAOYSA-N 1 2 267.325 1.322 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1c(C)cccc1O ZINC000876738260 1165906154 /nfs/dbraw/zinc/90/61/54/1165906154.db2.gz ZUGHAGWUDXRHBZ-UHFFFAOYSA-N 1 2 267.325 1.322 20 10 CDCDLO C[C@H]([NH2+]CCOCCF)c1cccc(-c2nn[nH]n2)c1O ZINC001589964105 1173213324 /nfs/dbraw/zinc/21/33/24/1173213324.db2.gz QRBNUHYIXXBKTD-VIFPVBQESA-N 1 2 295.318 1.209 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589973606 1173219690 /nfs/dbraw/zinc/21/96/90/1173219690.db2.gz HVMIMSFZJXPPBV-RKDXNWHRSA-N 1 2 275.312 1.012 20 10 CDCDLO CC[C@H]([NH2+][C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590467696 1173419297 /nfs/dbraw/zinc/41/92/97/1173419297.db2.gz SPZNRLRTMHBKIJ-SKDRFNHKSA-N 1 2 289.339 1.402 20 10 CDCDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862387738 790607852 /nfs/dbraw/zinc/60/78/52/790607852.db2.gz PMVPPVQGWIFKNW-SNVBAGLBSA-N 1 2 299.168 1.604 20 10 CDCDLO NC(=O)[C@H]1CCC[N@H+]1Cc1c(O)cccc1Br ZINC000862387738 790607864 /nfs/dbraw/zinc/60/78/64/790607864.db2.gz PMVPPVQGWIFKNW-SNVBAGLBSA-N 1 2 299.168 1.604 20 10 CDCDLO FC(F)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000136568729 790066679 /nfs/dbraw/zinc/06/66/79/790066679.db2.gz CYVJAKOJUXRPAF-UHFFFAOYSA-N 1 2 256.296 1.878 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000830141845 790190566 /nfs/dbraw/zinc/19/05/66/790190566.db2.gz ZHJAJRWQJNPRMT-CHWSQXEVSA-N 1 2 285.347 1.888 20 10 CDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779499490 791855123 /nfs/dbraw/zinc/85/51/23/791855123.db2.gz IBYIECNAWUNCPQ-TZNOJPMFSA-N 1 2 287.319 1.512 20 10 CDCDLO CC(=O)NCC[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000843428403 792052684 /nfs/dbraw/zinc/05/26/84/792052684.db2.gz WAAHVCLDFNFTLJ-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO CC(=O)NCC[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000843428403 792052700 /nfs/dbraw/zinc/05/27/00/792052700.db2.gz WAAHVCLDFNFTLJ-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO C[C@H]([NH2+]Cc1cn(C)nn1)c1c(O)cccc1F ZINC000886588709 793339100 /nfs/dbraw/zinc/33/91/00/793339100.db2.gz XTAWJZBPTZLNFS-QMMMGPOBSA-N 1 2 250.277 1.511 20 10 CDCDLO CC(C)(CO)[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000775702460 793847162 /nfs/dbraw/zinc/84/71/62/793847162.db2.gz AGXRLSPUHKGZSB-UHFFFAOYSA-N 1 2 298.814 1.934 20 10 CDCDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cccc(O)c1O ZINC000857947135 794191294 /nfs/dbraw/zinc/19/12/94/794191294.db2.gz LETRIXSJHMLLTB-VIFPVBQESA-N 1 2 273.292 1.039 20 10 CDCDLO CCc1cccc(CN2CC[N@H+](C)C[C@@H]2CO)c1O ZINC000877643190 794198366 /nfs/dbraw/zinc/19/83/66/794198366.db2.gz BYLXFEZIVYNOHM-CQSZACIVSA-N 1 2 264.369 1.063 20 10 CDCDLO CN1CC[N@H+](Cc2cc3c(cc2O)CCCC3)CC1=O ZINC000844729650 794944067 /nfs/dbraw/zinc/94/40/67/794944067.db2.gz GHQYBKJYHNDYSB-UHFFFAOYSA-N 1 2 274.364 1.545 20 10 CDCDLO CN1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)CC1=O ZINC000844729650 794944078 /nfs/dbraw/zinc/94/40/78/794944078.db2.gz GHQYBKJYHNDYSB-UHFFFAOYSA-N 1 2 274.364 1.545 20 10 CDCDLO CC[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001031464458 796157223 /nfs/dbraw/zinc/15/72/23/796157223.db2.gz SFXJWHLBQZTCLQ-UHFFFAOYSA-N 1 2 275.312 1.283 20 10 CDCDLO CC(C)(C)n1nnc(C[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000848561436 796306355 /nfs/dbraw/zinc/30/63/55/796306355.db2.gz WCYUTOJVDYHTSJ-NSHDSACASA-N 1 2 287.367 1.911 20 10 CDCDLO Cn1cnc2c1C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001140060047 894781871 /nfs/dbraw/zinc/78/18/71/894781871.db2.gz ILQTYTUXNFRABV-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Cn1cnc2c1C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC001140060047 894781885 /nfs/dbraw/zinc/78/18/85/894781885.db2.gz ILQTYTUXNFRABV-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO CN(CC(=O)NCc1ccccc1O)c1cccc[nH+]1 ZINC001177413474 914670754 /nfs/dbraw/zinc/67/07/54/914670754.db2.gz CTUSPRDURGWHMA-UHFFFAOYSA-N 1 2 271.320 1.540 20 10 CDCDLO C[NH+]1CC2(CN(Cc3c(F)ccc(F)c3O)C2)C1 ZINC001139690218 936636448 /nfs/dbraw/zinc/63/64/48/936636448.db2.gz SWLIRXZAJWRECY-UHFFFAOYSA-N 1 2 254.280 1.418 20 10 CDCDLO Cn1cc2c(n1)CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137837624 922983789 /nfs/dbraw/zinc/98/37/89/922983789.db2.gz OAYBBHWUGDXGLS-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Cn1cc2c(n1)CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001137837624 922983797 /nfs/dbraw/zinc/98/37/97/922983797.db2.gz OAYBBHWUGDXGLS-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO C[N@H+](C1CN(Cc2c(F)ccc(F)c2O)C1)[C@@H]1CCOC1 ZINC001139684079 937414145 /nfs/dbraw/zinc/41/41/45/937414145.db2.gz QFIDCXFRCHCOJS-SNVBAGLBSA-N 1 2 298.333 1.575 20 10 CDCDLO C[N@@H+](C1CN(Cc2c(F)ccc(F)c2O)C1)[C@@H]1CCOC1 ZINC001139684079 937414147 /nfs/dbraw/zinc/41/41/47/937414147.db2.gz QFIDCXFRCHCOJS-SNVBAGLBSA-N 1 2 298.333 1.575 20 10 CDCDLO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3ccc(O)c(O)c3)[C@H]2C1 ZINC001203874843 939710199 /nfs/dbraw/zinc/71/01/99/939710199.db2.gz DHXXTECCNQWJGU-HUBLWGQQSA-N 1 2 279.336 1.070 20 10 CDCDLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3ccc(O)c(O)c3)[C@H]2C1 ZINC001203874843 939710200 /nfs/dbraw/zinc/71/02/00/939710200.db2.gz DHXXTECCNQWJGU-HUBLWGQQSA-N 1 2 279.336 1.070 20 10 CDCDLO Oc1ccc(C[NH+]2CC3(C2)CC(F)(F)CO3)c(O)c1 ZINC001204281517 939751868 /nfs/dbraw/zinc/75/18/68/939751868.db2.gz TWIPIDZIYHJFDO-UHFFFAOYSA-N 1 2 271.263 1.708 20 10 CDCDLO CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C(=O)[O-])ccc1O ZINC001231566011 942930907 /nfs/dbraw/zinc/93/09/07/942930907.db2.gz HHWDBWAKKCMNCR-UHFFFAOYSA-N 1 2 289.335 1.809 20 10 CDCDLO CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C(=O)[O-])ccc1O ZINC001231566011 942930911 /nfs/dbraw/zinc/93/09/11/942930911.db2.gz HHWDBWAKKCMNCR-UHFFFAOYSA-N 1 2 289.335 1.809 20 10 CDCDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231914159 943054401 /nfs/dbraw/zinc/05/44/01/943054401.db2.gz ZISCBYRDDGIVAH-NSHDSACASA-N 1 2 297.786 1.939 20 10 CDCDLO NC(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000722179639 943968731 /nfs/dbraw/zinc/96/87/31/943968731.db2.gz JKJFCPARFFRNIF-UHFFFAOYSA-N 1 2 269.732 1.242 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@@H](C)C2)cc1OC ZINC001236750218 944556619 /nfs/dbraw/zinc/55/66/19/944556619.db2.gz JRTVHZCOSOVMEB-JTQLQIEISA-N 1 2 279.336 1.820 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@@H](C)C2)cc1OC ZINC001236750218 944556624 /nfs/dbraw/zinc/55/66/24/944556624.db2.gz JRTVHZCOSOVMEB-JTQLQIEISA-N 1 2 279.336 1.820 20 10 CDCDLO COc1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1Cl ZINC001236801190 944572614 /nfs/dbraw/zinc/57/26/14/944572614.db2.gz HEUBWIYBIVEGGB-VHSXEESVSA-N 1 2 289.734 1.959 20 10 CDCDLO COc1ccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1Cl ZINC001236801190 944572617 /nfs/dbraw/zinc/57/26/17/944572617.db2.gz HEUBWIYBIVEGGB-VHSXEESVSA-N 1 2 289.734 1.959 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CC(=O)N(CC)C[C@H]2C)c(O)c1 ZINC001237047164 944646599 /nfs/dbraw/zinc/64/65/99/944646599.db2.gz TVFBTBHBTHWFCY-GFCCVEGCSA-N 1 2 292.379 1.844 20 10 CDCDLO CCOc1ccc(C[N@H+]2CC(=O)N(CC)C[C@H]2C)c(O)c1 ZINC001237047164 944646605 /nfs/dbraw/zinc/64/66/05/944646605.db2.gz TVFBTBHBTHWFCY-GFCCVEGCSA-N 1 2 292.379 1.844 20 10 CDCDLO C[N@@H+](Cc1c(O)ccc(Cl)c1Cl)C[C@H](O)CO ZINC001237081583 944651731 /nfs/dbraw/zinc/65/17/31/944651731.db2.gz YRYJGJYLBBXFCM-ZETCQYMHSA-N 1 2 280.151 1.484 20 10 CDCDLO C[N@H+](Cc1c(O)ccc(Cl)c1Cl)C[C@H](O)CO ZINC001237081583 944651736 /nfs/dbraw/zinc/65/17/36/944651736.db2.gz YRYJGJYLBBXFCM-ZETCQYMHSA-N 1 2 280.151 1.484 20 10 CDCDLO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c1O ZINC001237680851 944923289 /nfs/dbraw/zinc/92/32/89/944923289.db2.gz JAAZNLNYKGWRSJ-WDEREUQCSA-N 1 2 259.708 1.869 20 10 CDCDLO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c1O ZINC001237680851 944923301 /nfs/dbraw/zinc/92/33/01/944923301.db2.gz JAAZNLNYKGWRSJ-WDEREUQCSA-N 1 2 259.708 1.869 20 10 CDCDLO Oc1ccc(Br)cc1C[NH+]1CCOCC1 ZINC000082318499 357068829 /nfs/dbraw/zinc/06/88/29/357068829.db2.gz JBUKGAGQXRBQIW-UHFFFAOYSA-N 1 2 272.142 1.987 20 10 CDCDLO COC(=O)[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000493188673 253393848 /nfs/dbraw/zinc/39/38/48/253393848.db2.gz MFOSZULPTIELTC-KTRBRXNASA-N 1 2 297.314 1.726 20 10 CDCDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncn(C)n2)c(O)c1C ZINC000273505281 391326668 /nfs/dbraw/zinc/32/66/68/391326668.db2.gz QYLKLYHZWBSOAL-LLVKDONJSA-N 1 2 260.341 1.988 20 10 CDCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278332718 286187082 /nfs/dbraw/zinc/18/70/82/286187082.db2.gz ZMSCFTYSRAHOOR-NXEZZACHSA-N 1 2 296.323 1.918 20 10 CDCDLO COc1c(O)c(C[N@H+]2CCO[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278332718 286187083 /nfs/dbraw/zinc/18/70/83/286187083.db2.gz ZMSCFTYSRAHOOR-NXEZZACHSA-N 1 2 296.323 1.918 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184679942 262026121 /nfs/dbraw/zinc/02/61/21/262026121.db2.gz LTWASQHPAMHKMU-UHFFFAOYSA-N 1 2 273.716 1.659 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184679942 262026122 /nfs/dbraw/zinc/02/61/22/262026122.db2.gz LTWASQHPAMHKMU-UHFFFAOYSA-N 1 2 273.716 1.659 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCNC(=O)C[C@@H]2C)c1O ZINC000378326733 329045985 /nfs/dbraw/zinc/04/59/85/329045985.db2.gz OZUPTRSIYOSPCR-VIFPVBQESA-N 1 2 294.326 1.444 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1O ZINC000378326733 329045988 /nfs/dbraw/zinc/04/59/88/329045988.db2.gz OZUPTRSIYOSPCR-VIFPVBQESA-N 1 2 294.326 1.444 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[S@](=O)C1 ZINC000277564701 524988103 /nfs/dbraw/zinc/98/81/03/524988103.db2.gz SDCZFIWAYYYFSV-SBKAZYGRSA-N 1 2 297.376 1.321 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[S@](=O)C1 ZINC000277564701 524988118 /nfs/dbraw/zinc/98/81/18/524988118.db2.gz SDCZFIWAYYYFSV-SBKAZYGRSA-N 1 2 297.376 1.321 20 10 CDCDLO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(F)c(F)c1O ZINC000278636930 525425343 /nfs/dbraw/zinc/42/53/43/525425343.db2.gz DDLYCFSKWRCKGO-ATEUNZGCSA-N 1 2 287.306 1.861 20 10 CDCDLO CCOC(=O)[C@@H](C)[NH2+]Cc1ccc(OCC)cc1O ZINC000763269012 576727941 /nfs/dbraw/zinc/72/79/41/576727941.db2.gz KZIBFSWORSOMCP-SNVBAGLBSA-N 1 2 267.325 1.832 20 10 CDCDLO COc1cccc(O)c1C[NH2+]Cc1nnnn1CC1CC1 ZINC000769936508 575398664 /nfs/dbraw/zinc/39/86/64/575398664.db2.gz LHVGFBLMMGCGKU-UHFFFAOYSA-N 1 2 289.339 1.087 20 10 CDCDLO COCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000765268661 576003167 /nfs/dbraw/zinc/00/31/67/576003167.db2.gz ALXWUYKSVOBYGV-UHFFFAOYSA-N 1 2 252.270 1.569 20 10 CDCDLO Nc1ccc(CC(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000746291531 576769340 /nfs/dbraw/zinc/76/93/40/576769340.db2.gz GPQGHXGSYSZIPC-UHFFFAOYSA-N 1 2 280.331 1.775 20 10 CDCDLO Cn1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000748098748 576895751 /nfs/dbraw/zinc/89/57/51/576895751.db2.gz MJAOBPSYZQYTML-UHFFFAOYSA-N 1 2 261.281 1.929 20 10 CDCDLO COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756777041 577003789 /nfs/dbraw/zinc/00/37/89/577003789.db2.gz GAPWWPMTFYPQPD-WPRPVWTQSA-N 1 2 275.295 1.718 20 10 CDCDLO COc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c(O)c1OC ZINC000893713071 617934203 /nfs/dbraw/zinc/93/42/03/617934203.db2.gz WVQSNTYROCXQMN-JTQLQIEISA-N 1 2 294.351 1.072 20 10 CDCDLO COc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c(O)c1OC ZINC000893713071 617934218 /nfs/dbraw/zinc/93/42/18/617934218.db2.gz WVQSNTYROCXQMN-JTQLQIEISA-N 1 2 294.351 1.072 20 10 CDCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H](O)C1 ZINC000893946184 618212177 /nfs/dbraw/zinc/21/21/77/618212177.db2.gz MFDIXVBHLANFII-VIFPVBQESA-N 1 2 290.132 1.860 20 10 CDCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000893946184 618212178 /nfs/dbraw/zinc/21/21/78/618212178.db2.gz MFDIXVBHLANFII-VIFPVBQESA-N 1 2 290.132 1.860 20 10 CDCDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894536530 618954815 /nfs/dbraw/zinc/95/48/15/618954815.db2.gz AFIPUCDRUGJVKE-KDDOJWQBSA-N 1 2 296.317 1.756 20 10 CDCDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894536530 618954819 /nfs/dbraw/zinc/95/48/19/618954819.db2.gz AFIPUCDRUGJVKE-KDDOJWQBSA-N 1 2 296.317 1.756 20 10 CDCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(N)cc1 ZINC000911782455 629499427 /nfs/dbraw/zinc/49/94/27/629499427.db2.gz JMVHEHXELGLTBU-LLVKDONJSA-N 1 2 272.352 1.529 20 10 CDCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(N)cc1 ZINC000911782455 629499429 /nfs/dbraw/zinc/49/94/29/629499429.db2.gz JMVHEHXELGLTBU-LLVKDONJSA-N 1 2 272.352 1.529 20 10 CDCDLO Cn1cnnc1C[NH2+]Cc1c(O)cccc1Br ZINC000706829856 796606258 /nfs/dbraw/zinc/60/62/58/796606258.db2.gz BTHCYOVOGXNVJE-UHFFFAOYSA-N 1 2 297.156 1.573 20 10 CDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000817413985 797856201 /nfs/dbraw/zinc/85/62/01/797856201.db2.gz BENOFWJMFPFBIW-NSHDSACASA-N 1 2 286.734 1.895 20 10 CDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000817413985 797856202 /nfs/dbraw/zinc/85/62/02/797856202.db2.gz BENOFWJMFPFBIW-NSHDSACASA-N 1 2 286.734 1.895 20 10 CDCDLO CCOC(=O)[C@@H]([NH2+]Cc1ccccc1O)[C@H]1CCCOC1 ZINC000789578886 797892788 /nfs/dbraw/zinc/89/27/88/797892788.db2.gz DBKIMFJNWNZIGM-ZFWWWQNUSA-N 1 2 293.363 1.840 20 10 CDCDLO CCNC(=O)C[N@H+](CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000050155096 797976763 /nfs/dbraw/zinc/97/67/63/797976763.db2.gz CEWDSLXZBDCWFJ-UHFFFAOYSA-N 1 2 296.342 1.692 20 10 CDCDLO CCNC(=O)C[N@@H+](CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000050155096 797976775 /nfs/dbraw/zinc/97/67/75/797976775.db2.gz CEWDSLXZBDCWFJ-UHFFFAOYSA-N 1 2 296.342 1.692 20 10 CDCDLO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708536027 798024146 /nfs/dbraw/zinc/02/41/46/798024146.db2.gz UCIYNYLPXQQHFQ-VIFPVBQESA-N 1 2 284.306 1.771 20 10 CDCDLO O=CN1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000827867851 798057016 /nfs/dbraw/zinc/05/70/16/798057016.db2.gz REMDPCGIDIGPDG-UHFFFAOYSA-N 1 2 286.734 1.849 20 10 CDCDLO O=CN1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000827867851 798057030 /nfs/dbraw/zinc/05/70/30/798057030.db2.gz REMDPCGIDIGPDG-UHFFFAOYSA-N 1 2 286.734 1.849 20 10 CDCDLO [NH3+][C@@]12CC[C@@H]1CN(Cc1c(O)cc(F)cc1F)C2 ZINC001235987093 914489561 /nfs/dbraw/zinc/48/95/61/914489561.db2.gz FOBDSRQPHSIBHO-AMIZOPFISA-N 1 2 254.280 1.594 20 10 CDCDLO CC[N@H+](Cc1cc(F)c(F)cc1O)C1CN(C)C1 ZINC001142530335 908876313 /nfs/dbraw/zinc/87/63/13/908876313.db2.gz DVFVWJOVRJLVMB-UHFFFAOYSA-N 1 2 256.296 1.806 20 10 CDCDLO CC[N@@H+](Cc1cc(F)c(F)cc1O)C1CN(C)C1 ZINC001142530335 908876326 /nfs/dbraw/zinc/87/63/26/908876326.db2.gz DVFVWJOVRJLVMB-UHFFFAOYSA-N 1 2 256.296 1.806 20 10 CDCDLO Oc1c(F)ccc(F)c1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001139689758 936636232 /nfs/dbraw/zinc/63/62/32/936636232.db2.gz LTPABTXZBLUAGZ-SECBINFHSA-N 1 2 254.280 1.560 20 10 CDCDLO Oc1c(F)ccc(F)c1CN1CC[N@H+]2CC[C@@H]2C1 ZINC001139689758 936636234 /nfs/dbraw/zinc/63/62/34/936636234.db2.gz LTPABTXZBLUAGZ-SECBINFHSA-N 1 2 254.280 1.560 20 10 CDCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001140582980 936727090 /nfs/dbraw/zinc/72/70/90/936727090.db2.gz RQUMPGIDFWNAEL-JQWIXIFHSA-N 1 2 275.270 1.965 20 10 CDCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001140582980 936727092 /nfs/dbraw/zinc/72/70/92/936727092.db2.gz RQUMPGIDFWNAEL-JQWIXIFHSA-N 1 2 275.270 1.965 20 10 CDCDLO O=C1NCC[C@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@@H]12 ZINC001140584249 936727706 /nfs/dbraw/zinc/72/77/06/936727706.db2.gz KLMRRIYYNMESLA-WCBMZHEXSA-N 1 2 282.290 1.238 20 10 CDCDLO O=C1NCC[C@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@@H]12 ZINC001140584249 936727707 /nfs/dbraw/zinc/72/77/07/936727707.db2.gz KLMRRIYYNMESLA-WCBMZHEXSA-N 1 2 282.290 1.238 20 10 CDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)CCO1 ZINC001140749021 936749899 /nfs/dbraw/zinc/74/98/99/936749899.db2.gz OOGNBUYTIUFBHX-CYBMUJFWSA-N 1 2 295.335 1.170 20 10 CDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)CCO1 ZINC001140749021 936749900 /nfs/dbraw/zinc/74/99/00/936749900.db2.gz OOGNBUYTIUFBHX-CYBMUJFWSA-N 1 2 295.335 1.170 20 10 CDCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)CC(C)(CO)CO ZINC000775706547 924867836 /nfs/dbraw/zinc/86/78/36/924867836.db2.gz ARISTFADDMWHFM-UHFFFAOYSA-N 1 2 291.750 1.607 20 10 CDCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)CC(C)(CO)CO ZINC000775706547 924867842 /nfs/dbraw/zinc/86/78/42/924867842.db2.gz ARISTFADDMWHFM-UHFFFAOYSA-N 1 2 291.750 1.607 20 10 CDCDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCNC1=O ZINC000775745224 924995868 /nfs/dbraw/zinc/99/58/68/924995868.db2.gz RVTZPZMMAJFMGP-JTQLQIEISA-N 1 2 254.717 1.366 20 10 CDCDLO C[N@@H+]1CCc2ncnc(NCc3ccc(O)c(O)c3)c2C1 ZINC001169992299 928872239 /nfs/dbraw/zinc/87/22/39/928872239.db2.gz BJUALLWLZHOUJL-UHFFFAOYSA-N 1 2 286.335 1.488 20 10 CDCDLO C[N@H+]1CCc2ncnc(NCc3ccc(O)c(O)c3)c2C1 ZINC001169992299 928872244 /nfs/dbraw/zinc/87/22/44/928872244.db2.gz BJUALLWLZHOUJL-UHFFFAOYSA-N 1 2 286.335 1.488 20 10 CDCDLO C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC001116430567 937447983 /nfs/dbraw/zinc/44/79/83/937447983.db2.gz DSHOHVJBJFUJLE-JTQLQIEISA-N 1 2 275.308 1.214 20 10 CDCDLO N[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001206667501 938697489 /nfs/dbraw/zinc/69/74/89/938697489.db2.gz JALZUWULUJSOET-LLVKDONJSA-N 1 2 260.259 1.700 20 10 CDCDLO N[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001206667501 938697490 /nfs/dbraw/zinc/69/74/90/938697490.db2.gz JALZUWULUJSOET-LLVKDONJSA-N 1 2 260.259 1.700 20 10 CDCDLO [NH3+][C@@H]1CN(Cc2cc(F)ccc2O)CCC1(F)F ZINC001206667501 938697492 /nfs/dbraw/zinc/69/74/92/938697492.db2.gz JALZUWULUJSOET-LLVKDONJSA-N 1 2 260.259 1.700 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874910 939710211 /nfs/dbraw/zinc/71/02/11/939710211.db2.gz FAPVMBNTWOCSMV-GHMZBOCLSA-N 1 2 255.289 1.250 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874910 939710212 /nfs/dbraw/zinc/71/02/12/939710212.db2.gz FAPVMBNTWOCSMV-GHMZBOCLSA-N 1 2 255.289 1.250 20 10 CDCDLO C[N@H+](Cc1nnc2ccccn21)Cc1ccc(O)cc1O ZINC001204276985 939751765 /nfs/dbraw/zinc/75/17/65/939751765.db2.gz UZBANXWGOPESNX-UHFFFAOYSA-N 1 2 284.319 1.773 20 10 CDCDLO C[N@@H+](Cc1nnc2ccccn21)Cc1ccc(O)cc1O ZINC001204276985 939751768 /nfs/dbraw/zinc/75/17/68/939751768.db2.gz UZBANXWGOPESNX-UHFFFAOYSA-N 1 2 284.319 1.773 20 10 CDCDLO C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001205830248 939942067 /nfs/dbraw/zinc/94/20/67/939942067.db2.gz SJNBNGAZTQJKDN-GWCFXTLKSA-N 1 2 278.352 1.650 20 10 CDCDLO C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001205830248 939942072 /nfs/dbraw/zinc/94/20/72/939942072.db2.gz SJNBNGAZTQJKDN-GWCFXTLKSA-N 1 2 278.352 1.650 20 10 CDCDLO COc1cc(N(C)C)ccc1C[NH+]1CC(C)(OC)C1 ZINC001231848022 943028909 /nfs/dbraw/zinc/02/89/09/943028909.db2.gz DRUWGWBEURIQRN-UHFFFAOYSA-N 1 2 264.369 1.982 20 10 CDCDLO COC(=O)CC1C[NH+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232267547 943197298 /nfs/dbraw/zinc/19/72/98/943197298.db2.gz IVKIXBDXDPMXFS-UHFFFAOYSA-N 1 2 285.727 1.746 20 10 CDCDLO OCc1ncn2c1C[N@H+](Cc1ccccc1O)CC2 ZINC001235500664 944174045 /nfs/dbraw/zinc/17/40/45/944174045.db2.gz AQJOCVUHCKDVKK-UHFFFAOYSA-N 1 2 259.309 1.097 20 10 CDCDLO OCc1ncn2c1C[N@@H+](Cc1ccccc1O)CC2 ZINC001235500664 944174059 /nfs/dbraw/zinc/17/40/59/944174059.db2.gz AQJOCVUHCKDVKK-UHFFFAOYSA-N 1 2 259.309 1.097 20 10 CDCDLO NC(=O)C1C[NH+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237122769 944660348 /nfs/dbraw/zinc/66/03/48/944660348.db2.gz LIPONKZAELWAKP-UHFFFAOYSA-N 1 2 290.241 1.208 20 10 CDCDLO CCC[C@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001257305006 948568212 /nfs/dbraw/zinc/56/82/12/948568212.db2.gz UEDMZCJXLIVBFR-JQWIXIFHSA-N 1 2 281.352 1.960 20 10 CDCDLO C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[N@@H+]1C ZINC001324693843 953523930 /nfs/dbraw/zinc/52/39/30/953523930.db2.gz RUCRDIQNPWTGDK-MRVPVSSYSA-N 1 2 268.288 1.013 20 10 CDCDLO C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[N@H+]1C ZINC001324693843 953523937 /nfs/dbraw/zinc/52/39/37/953523937.db2.gz RUCRDIQNPWTGDK-MRVPVSSYSA-N 1 2 268.288 1.013 20 10 CDCDLO COc1ccc(N2CCCN(c3cc(N)nc[nH+]3)CC2)cc1 ZINC001321565879 959854242 /nfs/dbraw/zinc/85/42/42/959854242.db2.gz FBKGXZZIHWBJLK-UHFFFAOYSA-N 1 2 299.378 1.784 20 10 CDCDLO COc1ccc(CNC(=O)CCc2[nH+]ccn2C)c(O)c1 ZINC001521549895 970315187 /nfs/dbraw/zinc/31/51/87/970315187.db2.gz OCAZXBLECJLKCY-UHFFFAOYSA-N 1 2 289.335 1.383 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000079443297 342344647 /nfs/dbraw/zinc/34/46/47/342344647.db2.gz QSLFRBBKLKZMSX-CYBMUJFWSA-N 1 2 294.326 1.396 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000079443297 342344648 /nfs/dbraw/zinc/34/46/48/342344648.db2.gz QSLFRBBKLKZMSX-CYBMUJFWSA-N 1 2 294.326 1.396 20 10 CDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1ccccc1O ZINC000047028334 348804826 /nfs/dbraw/zinc/80/48/26/348804826.db2.gz IDDQKOGNNSSHIA-GFCCVEGCSA-N 1 2 288.351 1.819 20 10 CDCDLO Cn1ccnc1C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000016848978 357573840 /nfs/dbraw/zinc/57/38/40/357573840.db2.gz OIMJNMIXLUWRAK-UHFFFAOYSA-N 1 2 275.308 1.486 20 10 CDCDLO Cn1ccnc1C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000016848978 357573846 /nfs/dbraw/zinc/57/38/46/357573846.db2.gz OIMJNMIXLUWRAK-UHFFFAOYSA-N 1 2 275.308 1.486 20 10 CDCDLO COCCOCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191220120 358119667 /nfs/dbraw/zinc/11/96/67/358119667.db2.gz USLXBOWMQQDSGN-VIFPVBQESA-N 1 2 275.295 1.984 20 10 CDCDLO COC(=O)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000272865199 365425554 /nfs/dbraw/zinc/42/55/54/365425554.db2.gz FTQDOMLNKOWBPW-AWEZNQCLSA-N 1 2 261.321 1.663 20 10 CDCDLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273433951 365494840 /nfs/dbraw/zinc/49/48/40/365494840.db2.gz WMVBLMSQFMATJV-RKDXNWHRSA-N 1 2 281.312 1.476 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cc1F ZINC000282265213 367802619 /nfs/dbraw/zinc/80/26/19/367802619.db2.gz KDVDEEIRYWWBBI-MRXNPFEDSA-N 1 2 294.370 1.883 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCOC[C@]23CCOC3)cc1F ZINC000282265213 367802623 /nfs/dbraw/zinc/80/26/23/367802623.db2.gz KDVDEEIRYWWBBI-MRXNPFEDSA-N 1 2 294.370 1.883 20 10 CDCDLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000276698376 284302668 /nfs/dbraw/zinc/30/26/68/284302668.db2.gz VLCVFWWEPMFIGB-NXEZZACHSA-N 1 2 295.339 1.818 20 10 CDCDLO O=C1NC[C@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)CCN12 ZINC000191436958 373489185 /nfs/dbraw/zinc/48/91/85/373489185.db2.gz VRZJOJGNTBYODN-QMMMGPOBSA-N 1 2 299.733 1.394 20 10 CDCDLO O=C1NC[C@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)CCN12 ZINC000191436958 373489192 /nfs/dbraw/zinc/48/91/92/373489192.db2.gz VRZJOJGNTBYODN-QMMMGPOBSA-N 1 2 299.733 1.394 20 10 CDCDLO O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000365695502 391125335 /nfs/dbraw/zinc/12/53/35/391125335.db2.gz OSNXVWZTPPJPPS-SNVBAGLBSA-N 1 2 273.292 1.798 20 10 CDCDLO CN1CCN(C)[C@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124817338 391227946 /nfs/dbraw/zinc/22/79/46/391227946.db2.gz BIWOAIXNJZNAJX-GFCCVEGCSA-N 1 2 283.803 1.381 20 10 CDCDLO CC[N@H+](CCS(C)(=O)=O)Cc1c(O)cccc1Cl ZINC000271165016 391289566 /nfs/dbraw/zinc/28/95/66/391289566.db2.gz BJXLVMJQHPMLJY-UHFFFAOYSA-N 1 2 291.800 1.912 20 10 CDCDLO CC[N@@H+](CCS(C)(=O)=O)Cc1c(O)cccc1Cl ZINC000271165016 391289571 /nfs/dbraw/zinc/28/95/71/391289571.db2.gz BJXLVMJQHPMLJY-UHFFFAOYSA-N 1 2 291.800 1.912 20 10 CDCDLO COC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000042304248 523549901 /nfs/dbraw/zinc/54/99/01/523549901.db2.gz UWMPCXGOQCUURT-DTWKUNHWSA-N 1 2 253.298 1.613 20 10 CDCDLO C[C@H]([NH2+]CCC(=O)N(C)C)c1cc(F)cc(F)c1O ZINC000756517887 576993452 /nfs/dbraw/zinc/99/34/52/576993452.db2.gz PVXRLHMADLBXCJ-QMMMGPOBSA-N 1 2 272.295 1.799 20 10 CDCDLO NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775632831 617546719 /nfs/dbraw/zinc/54/67/19/617546719.db2.gz ABMQTJKTAJQOBO-QMMMGPOBSA-N 1 2 286.734 1.882 20 10 CDCDLO NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775632831 617546724 /nfs/dbraw/zinc/54/67/24/617546724.db2.gz ABMQTJKTAJQOBO-QMMMGPOBSA-N 1 2 286.734 1.882 20 10 CDCDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000893954906 618221080 /nfs/dbraw/zinc/22/10/80/618221080.db2.gz QKZPCWLEPQQUKW-ZDUSSCGKSA-N 1 2 296.317 1.913 20 10 CDCDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000893954906 618221089 /nfs/dbraw/zinc/22/10/89/618221089.db2.gz QKZPCWLEPQQUKW-ZDUSSCGKSA-N 1 2 296.317 1.913 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1OC ZINC000898186014 621379104 /nfs/dbraw/zinc/37/91/04/621379104.db2.gz AAPKIZOTZBQTIB-GHMZBOCLSA-N 1 2 285.315 1.314 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1OC ZINC000898186014 621379107 /nfs/dbraw/zinc/37/91/07/621379107.db2.gz AAPKIZOTZBQTIB-GHMZBOCLSA-N 1 2 285.315 1.314 20 10 CDCDLO COc1ccc(CNC(=O)CCn2cc[nH+]c2)c(O)c1 ZINC000794379063 1162469134 /nfs/dbraw/zinc/46/91/34/1162469134.db2.gz MSXGHRLIRRLKSZ-UHFFFAOYSA-N 1 2 275.308 1.304 20 10 CDCDLO O=C(c1cccc(O)c1O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000790634508 1162164487 /nfs/dbraw/zinc/16/44/87/1162164487.db2.gz LPQCSARGCDUCLZ-UHFFFAOYSA-N 1 2 286.287 1.396 20 10 CDCDLO C[C@@H]([NH2+]CCN1CCNC1=O)c1cc(F)cc(F)c1O ZINC000886745069 1166539187 /nfs/dbraw/zinc/53/91/87/1166539187.db2.gz NKFKEHJXYCDIPZ-MRVPVSSYSA-N 1 2 285.294 1.346 20 10 CDCDLO COc1ccc(O)c(CN2CCC(F)(F)[C@@H]([NH3+])C2)c1 ZINC001206655778 1167178733 /nfs/dbraw/zinc/17/87/33/1167178733.db2.gz IRYURKUHROTIFW-LBPRGKRZSA-N 1 2 272.295 1.569 20 10 CDCDLO O=C(/C=C/c1ccc(O)c(O)c1)NCCn1cc[nH+]c1 ZINC000204527175 1164514965 /nfs/dbraw/zinc/51/49/65/1164514965.db2.gz NAJHBCJKTHTLPV-DUXPYHPUSA-N 1 2 273.292 1.124 20 10 CDCDLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000862542635 811885128 /nfs/dbraw/zinc/88/51/28/811885128.db2.gz WBQZKCTWIDBENB-SSDOTTSWSA-N 1 2 290.722 1.683 20 10 CDCDLO Oc1c(Br)cccc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000825257097 814214372 /nfs/dbraw/zinc/21/43/72/814214372.db2.gz VNQRKLBNKBHCHO-DTORHVGOSA-N 1 2 272.142 1.768 20 10 CDCDLO CCC[N@H+](CC(N)=O)Cc1cc(F)c(N(C)C)cc1F ZINC000862375031 811539863 /nfs/dbraw/zinc/53/98/63/811539863.db2.gz VTQZRWCFYUUJDP-UHFFFAOYSA-N 1 2 285.338 1.728 20 10 CDCDLO CCC[N@@H+](CC(N)=O)Cc1cc(F)c(N(C)C)cc1F ZINC000862375031 811539916 /nfs/dbraw/zinc/53/99/16/811539916.db2.gz VTQZRWCFYUUJDP-UHFFFAOYSA-N 1 2 285.338 1.728 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC(C)(OC)C2)cc1OC ZINC000839101683 811819811 /nfs/dbraw/zinc/81/98/11/811819811.db2.gz ONYYYMQMRBFAFV-UHFFFAOYSA-N 1 2 267.325 1.630 20 10 CDCDLO O=C1NC(=S)S/C1=C/c1cccc2[nH+]ccn21 ZINC000255137839 811848187 /nfs/dbraw/zinc/84/81/87/811848187.db2.gz PZDQVYHQKRPADC-SOFGYWHQSA-N 1 2 261.331 1.823 20 10 CDCDLO CC(=O)NCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000308251732 812031761 /nfs/dbraw/zinc/03/17/61/812031761.db2.gz BOOVWSJXJLZSGS-UHFFFAOYSA-N 1 2 298.770 1.816 20 10 CDCDLO CC(=O)NCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000308251732 812031769 /nfs/dbraw/zinc/03/17/69/812031769.db2.gz BOOVWSJXJLZSGS-UHFFFAOYSA-N 1 2 298.770 1.816 20 10 CDCDLO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000825067842 812124045 /nfs/dbraw/zinc/12/40/45/812124045.db2.gz FWIDROFYMHIEDP-ZETCQYMHSA-N 1 2 274.723 1.799 20 10 CDCDLO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1c(O)cccc1F ZINC000886639421 812176147 /nfs/dbraw/zinc/17/61/47/812176147.db2.gz CZCCARMDQKSTKG-GXSJLCMTSA-N 1 2 279.315 1.649 20 10 CDCDLO C[N@@H+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1(C)C ZINC000857213213 812834358 /nfs/dbraw/zinc/83/43/58/812834358.db2.gz HSSQFYMQLDALAA-UHFFFAOYSA-N 1 2 282.315 1.403 20 10 CDCDLO C[N@H+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1(C)C ZINC000857213213 812834359 /nfs/dbraw/zinc/83/43/59/812834359.db2.gz HSSQFYMQLDALAA-UHFFFAOYSA-N 1 2 282.315 1.403 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817944520 813808088 /nfs/dbraw/zinc/80/80/88/813808088.db2.gz FRXICLUAGLVURJ-DTWKUNHWSA-N 1 2 251.286 1.313 20 10 CDCDLO C[N@H+](Cc1cnc[nH]1)Cc1cc2c(cc1O)OCO2 ZINC000826770255 813851740 /nfs/dbraw/zinc/85/17/40/813851740.db2.gz WAKXUGOZGPOEDC-UHFFFAOYSA-N 1 2 261.281 1.476 20 10 CDCDLO C[N@@H+](Cc1cnc[nH]1)Cc1cc2c(cc1O)OCO2 ZINC000826770255 813851741 /nfs/dbraw/zinc/85/17/41/813851741.db2.gz WAKXUGOZGPOEDC-UHFFFAOYSA-N 1 2 261.281 1.476 20 10 CDCDLO COc1ccc(N2CC[NH+](Cn3cnnc3)CC2)cc1F ZINC000182603772 817040102 /nfs/dbraw/zinc/04/01/02/817040102.db2.gz FXWRHFWMRSPQOZ-UHFFFAOYSA-N 1 2 291.330 1.206 20 10 CDCDLO C[N@H+](Cc1nnnn1-c1ccccc1)Cc1ccccc1O ZINC000109772832 817398278 /nfs/dbraw/zinc/39/82/78/817398278.db2.gz MLBMOOYSAQKDLA-UHFFFAOYSA-N 1 2 295.346 2.000 20 10 CDCDLO C[N@@H+](Cc1nnnn1-c1ccccc1)Cc1ccccc1O ZINC000109772832 817398286 /nfs/dbraw/zinc/39/82/86/817398286.db2.gz MLBMOOYSAQKDLA-UHFFFAOYSA-N 1 2 295.346 2.000 20 10 CDCDLO Nc1cc(CC(=O)N2CCc3cccc(O)c3C2)cc[nH+]1 ZINC001181256407 916980512 /nfs/dbraw/zinc/98/05/12/916980512.db2.gz PBHKGBAYVALGRT-UHFFFAOYSA-N 1 2 283.331 1.497 20 10 CDCDLO OC[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C[C@H]1O ZINC001237808629 917630975 /nfs/dbraw/zinc/63/09/75/917630975.db2.gz VBYZNDRYBOMYFI-QPUJVOFHSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C[C@H]1O ZINC001237808629 917630981 /nfs/dbraw/zinc/63/09/81/917630981.db2.gz VBYZNDRYBOMYFI-QPUJVOFHSA-N 1 2 289.734 1.360 20 10 CDCDLO c1cc2n(n1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138499970 936542758 /nfs/dbraw/zinc/54/27/58/936542758.db2.gz QJFGDRVIPOCTDP-UHFFFAOYSA-N 1 2 298.390 1.736 20 10 CDCDLO c1cc2n(n1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138499970 936542760 /nfs/dbraw/zinc/54/27/60/936542760.db2.gz QJFGDRVIPOCTDP-UHFFFAOYSA-N 1 2 298.390 1.736 20 10 CDCDLO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001140461375 936712457 /nfs/dbraw/zinc/71/24/57/936712457.db2.gz JUJUXDGNPKLQBZ-GHMZBOCLSA-N 1 2 259.708 1.950 20 10 CDCDLO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001140461375 936712458 /nfs/dbraw/zinc/71/24/58/936712458.db2.gz JUJUXDGNPKLQBZ-GHMZBOCLSA-N 1 2 259.708 1.950 20 10 CDCDLO O=C1OC[C@H]2C[N@H+](Cc3c(O)cccc3F)CCN12 ZINC001137838455 923023772 /nfs/dbraw/zinc/02/37/72/923023772.db2.gz AIUWQAONNPIRNV-SECBINFHSA-N 1 2 266.272 1.168 20 10 CDCDLO O=C1OC[C@H]2C[N@@H+](Cc3c(O)cccc3F)CCN12 ZINC001137838455 923023787 /nfs/dbraw/zinc/02/37/87/923023787.db2.gz AIUWQAONNPIRNV-SECBINFHSA-N 1 2 266.272 1.168 20 10 CDCDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142521016 937026411 /nfs/dbraw/zinc/02/64/11/937026411.db2.gz UOIKGOXHRSNKAZ-NSHDSACASA-N 1 2 270.279 1.510 20 10 CDCDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142521016 937026414 /nfs/dbraw/zinc/02/64/14/937026414.db2.gz UOIKGOXHRSNKAZ-NSHDSACASA-N 1 2 270.279 1.510 20 10 CDCDLO C[C@@]1(CO)C[N@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1O ZINC001142508869 937024601 /nfs/dbraw/zinc/02/46/01/937024601.db2.gz OLULNTWXSYMYSA-KGLIPLIRSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@@]1(CO)C[N@@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1O ZINC001142508869 937024602 /nfs/dbraw/zinc/02/46/02/937024602.db2.gz OLULNTWXSYMYSA-KGLIPLIRSA-N 1 2 287.306 1.236 20 10 CDCDLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508557 937024926 /nfs/dbraw/zinc/02/49/26/937024926.db2.gz CRVDNQROZHCOQI-WCBMZHEXSA-N 1 2 275.270 1.823 20 10 CDCDLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508557 937024929 /nfs/dbraw/zinc/02/49/29/937024929.db2.gz CRVDNQROZHCOQI-WCBMZHEXSA-N 1 2 275.270 1.823 20 10 CDCDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c(F)ccc(F)c1O ZINC001139684575 937420888 /nfs/dbraw/zinc/42/08/88/937420888.db2.gz ZOBGSAFEWRUTQF-AOOOYVTPSA-N 1 2 268.307 1.949 20 10 CDCDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c(F)ccc(F)c1O ZINC001139684575 937420890 /nfs/dbraw/zinc/42/08/90/937420890.db2.gz ZOBGSAFEWRUTQF-AOOOYVTPSA-N 1 2 268.307 1.949 20 10 CDCDLO CN1CC[C@]2(CCC[N@@H+]2Cc2c(O)ccc(F)c2F)C1=O ZINC001274149079 931201009 /nfs/dbraw/zinc/20/10/09/931201009.db2.gz JBFZQUSBMUEJFE-OAHLLOKOSA-N 1 2 296.317 1.867 20 10 CDCDLO CN1CC[C@]2(CCC[N@H+]2Cc2c(O)ccc(F)c2F)C1=O ZINC001274149079 931201017 /nfs/dbraw/zinc/20/10/17/931201017.db2.gz JBFZQUSBMUEJFE-OAHLLOKOSA-N 1 2 296.317 1.867 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2C[C@H](CO)OC[C@@H]2C)cc1Cl ZINC000824934032 931486862 /nfs/dbraw/zinc/48/68/62/931486862.db2.gz OEVYFTBVTHBKEW-CMPLNLGQSA-N 1 2 285.771 1.936 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)cc1Cl ZINC000824934032 931486863 /nfs/dbraw/zinc/48/68/63/931486863.db2.gz OEVYFTBVTHBKEW-CMPLNLGQSA-N 1 2 285.771 1.936 20 10 CDCDLO O=C1C[N@H+](Cc2c(O)cc(O)cc2O)CCC[C@@H]1F ZINC001144500599 931860380 /nfs/dbraw/zinc/86/03/80/931860380.db2.gz WKCCJGGPOMAGCU-JTQLQIEISA-N 1 2 269.272 1.306 20 10 CDCDLO O=C1C[N@@H+](Cc2c(O)cc(O)cc2O)CCC[C@@H]1F ZINC001144500599 931860383 /nfs/dbraw/zinc/86/03/83/931860383.db2.gz WKCCJGGPOMAGCU-JTQLQIEISA-N 1 2 269.272 1.306 20 10 CDCDLO COc1cccc([C@@H](C)[NH2+]Cc2ncn(C)n2)c1O ZINC000846160759 931982659 /nfs/dbraw/zinc/98/26/59/931982659.db2.gz YPCQTPVRWVBRRJ-SECBINFHSA-N 1 2 262.313 1.380 20 10 CDCDLO O=C(NCCOc1cc[nH+]cc1)c1cc(O)c(O)c(O)c1 ZINC001148590230 932754402 /nfs/dbraw/zinc/75/44/02/932754402.db2.gz FGTGPFXVTKTZPB-UHFFFAOYSA-N 1 2 290.275 1.007 20 10 CDCDLO Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(O)c1O ZINC000779214730 934479629 /nfs/dbraw/zinc/47/96/29/934479629.db2.gz UFHBINYZGRJINV-JTQLQIEISA-N 1 2 287.319 1.348 20 10 CDCDLO COc1cc(C[NH+]2CC3(CSC3)C2)cc(O)c1O ZINC001204349771 939759495 /nfs/dbraw/zinc/75/94/95/939759495.db2.gz XMUVXCJUWPCTLW-UHFFFAOYSA-N 1 2 267.350 1.655 20 10 CDCDLO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(F)c(F)c1O ZINC001276857102 941650322 /nfs/dbraw/zinc/65/03/22/941650322.db2.gz VQGFYJDSGCHLAX-RYUDHWBXSA-N 1 2 268.307 1.949 20 10 CDCDLO C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(F)c(F)c1O ZINC001276857102 941650323 /nfs/dbraw/zinc/65/03/23/941650323.db2.gz VQGFYJDSGCHLAX-RYUDHWBXSA-N 1 2 268.307 1.949 20 10 CDCDLO CS(=O)(=O)C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000389126739 944166856 /nfs/dbraw/zinc/16/68/56/944166856.db2.gz SGVOTVBAKFCNHY-UHFFFAOYSA-N 1 2 287.356 1.540 20 10 CDCDLO OCC1C[NH+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236776341 944564896 /nfs/dbraw/zinc/56/48/96/944564896.db2.gz VQZMMMSCBZMQEH-UHFFFAOYSA-N 1 2 288.141 1.284 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@H]1O ZINC001237119734 944661378 /nfs/dbraw/zinc/66/13/78/944661378.db2.gz FEDNSYGZTNYBAU-KWQFWETISA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@H]1O ZINC001237119734 944661386 /nfs/dbraw/zinc/66/13/86/944661386.db2.gz FEDNSYGZTNYBAU-KWQFWETISA-N 1 2 289.734 1.360 20 10 CDCDLO CN1CCC2(C[NH+](Cc3cc(F)c(Cl)cc3O)C2)C1=O ZINC001237943908 945009793 /nfs/dbraw/zinc/00/97/93/945009793.db2.gz QPMACEYSUISIOJ-UHFFFAOYSA-N 1 2 298.745 1.849 20 10 CDCDLO CN(C)c1ccc(C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC001333185447 958139649 /nfs/dbraw/zinc/13/96/49/958139649.db2.gz JSSRCFWPRNNUAU-CQSZACIVSA-N 1 2 288.351 1.261 20 10 CDCDLO CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001596499065 984247199 /nfs/dbraw/zinc/24/71/99/984247199.db2.gz FVPVJNYQVAOVFC-NXEZZACHSA-N 1 2 266.341 1.739 20 10 CDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000188785574 357937310 /nfs/dbraw/zinc/93/73/10/357937310.db2.gz UDIHKEIHLODYRR-RYUDHWBXSA-N 1 2 299.754 1.544 20 10 CDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000188785574 357937311 /nfs/dbraw/zinc/93/73/11/357937311.db2.gz UDIHKEIHLODYRR-RYUDHWBXSA-N 1 2 299.754 1.544 20 10 CDCDLO Cc1nnc2n1CC[N@@H+](Cc1cccc(C)c1O)C2 ZINC000374994638 370778460 /nfs/dbraw/zinc/77/84/60/370778460.db2.gz AYANOCGKUSKUIY-UHFFFAOYSA-N 1 2 258.325 1.616 20 10 CDCDLO Cc1nnc2n1CC[N@H+](Cc1cccc(C)c1O)C2 ZINC000374994638 370778466 /nfs/dbraw/zinc/77/84/66/370778466.db2.gz AYANOCGKUSKUIY-UHFFFAOYSA-N 1 2 258.325 1.616 20 10 CDCDLO C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)NCCF ZINC000282864646 368075297 /nfs/dbraw/zinc/07/52/97/368075297.db2.gz UUQFQUXTZLIHBW-RKDXNWHRSA-N 1 2 299.302 1.425 20 10 CDCDLO CC1(C)C(=O)NCC[N@H+]1Cc1cccc(F)c1O ZINC000272284474 328199611 /nfs/dbraw/zinc/19/96/11/328199611.db2.gz NDHFDBAWQYFDIE-UHFFFAOYSA-N 1 2 252.289 1.242 20 10 CDCDLO CC1(C)C(=O)NCC[N@@H+]1Cc1cccc(F)c1O ZINC000272284474 328199613 /nfs/dbraw/zinc/19/96/13/328199613.db2.gz NDHFDBAWQYFDIE-UHFFFAOYSA-N 1 2 252.289 1.242 20 10 CDCDLO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])Cn1cc[nH+]c1 ZINC000101595675 524486867 /nfs/dbraw/zinc/48/68/67/524486867.db2.gz QCZFXHKLKMKBQM-LLVKDONJSA-N 1 2 290.323 1.923 20 10 CDCDLO O=C(Cc1cn2ccccc2[nH+]1)NCc1ccccc1O ZINC000728211369 574622787 /nfs/dbraw/zinc/62/27/87/574622787.db2.gz UKSJLLZCJRXHSJ-UHFFFAOYSA-N 1 2 281.315 1.899 20 10 CDCDLO CC[C@@H](CO)Nc1cc(NCc2ccccc2O)[nH+]cn1 ZINC000892160661 617516025 /nfs/dbraw/zinc/51/60/25/617516025.db2.gz BOGIIVCBKXNDDR-LBPRGKRZSA-N 1 2 288.351 1.977 20 10 CDCDLO CC[C@@H](CO)Nc1cc(NCc2ccccc2O)nc[nH+]1 ZINC000892160661 617516029 /nfs/dbraw/zinc/51/60/29/617516029.db2.gz BOGIIVCBKXNDDR-LBPRGKRZSA-N 1 2 288.351 1.977 20 10 CDCDLO CCOC1C[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894820521 619073386 /nfs/dbraw/zinc/07/33/86/619073386.db2.gz WATDLARGKMNDKV-UHFFFAOYSA-N 1 2 267.325 1.630 20 10 CDCDLO Nc1ccc(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000911781882 629498594 /nfs/dbraw/zinc/49/85/94/629498594.db2.gz DBGVLMQCXLSRQE-ZDUSSCGKSA-N 1 2 284.363 1.387 20 10 CDCDLO C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC000917355566 632201254 /nfs/dbraw/zinc/20/12/54/632201254.db2.gz IWWMGTNVLZJLCT-LLVKDONJSA-N 1 2 289.335 1.604 20 10 CDCDLO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(C(=O)[O-])ccc1O ZINC001604357455 1163162675 /nfs/dbraw/zinc/16/26/75/1163162675.db2.gz KQXCZEKGBNQZDC-YPWHJJHSSA-N 1 2 276.336 1.634 20 10 CDCDLO C[C@H]([NH2+]CC1(C)COC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589976457 1173219798 /nfs/dbraw/zinc/21/97/98/1173219798.db2.gz FUZXRINAXKWHRO-VIFPVBQESA-N 1 2 289.339 1.259 20 10 CDCDLO C[C@@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715714645 818223629 /nfs/dbraw/zinc/22/36/29/818223629.db2.gz WTNKMKZIUXJSRR-ZCFIWIBFSA-N 1 2 278.121 1.764 20 10 CDCDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cccc(O)c1O ZINC000790590798 818329993 /nfs/dbraw/zinc/32/99/93/818329993.db2.gz SUMYPPVEBSIHDK-UHFFFAOYSA-N 1 2 298.342 1.843 20 10 CDCDLO CCNC(=O)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000133182220 819134559 /nfs/dbraw/zinc/13/45/59/819134559.db2.gz LQSYBLMZAATPCL-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO CCNC(=O)C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000133182220 819134563 /nfs/dbraw/zinc/13/45/63/819134563.db2.gz LQSYBLMZAATPCL-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1c(O)cccc1F ZINC000886639422 819671244 /nfs/dbraw/zinc/67/12/44/819671244.db2.gz CZCCARMDQKSTKG-KOLCDFICSA-N 1 2 279.315 1.649 20 10 CDCDLO CCn1ncnc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000794843738 820547458 /nfs/dbraw/zinc/54/74/58/820547458.db2.gz XRBQHGGVRLKLQV-SECBINFHSA-N 1 2 264.304 1.994 20 10 CDCDLO CC(C)[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)[NH+](C)C ZINC000803493643 820873186 /nfs/dbraw/zinc/87/31/86/820873186.db2.gz PMVHWSQQSQSXAH-AWEZNQCLSA-N 1 2 295.335 1.410 20 10 CDCDLO O=C(Cc1[nH]cc[nH+]1)NCc1c(O)ccc2c1CCCC2 ZINC000816938511 821307828 /nfs/dbraw/zinc/30/78/28/821307828.db2.gz CKQAOVIHMZESKC-UHFFFAOYSA-N 1 2 285.347 1.853 20 10 CDCDLO Cc1ccc(O)c(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c1 ZINC000848563428 822448453 /nfs/dbraw/zinc/44/84/53/822448453.db2.gz VDXIRUJNJXULRI-CYBMUJFWSA-N 1 2 288.351 1.960 20 10 CDCDLO Cc1cc(C)c(CNC(=O)CCn2cc[nH+]c2)c(O)c1 ZINC001176884178 914336376 /nfs/dbraw/zinc/33/63/76/914336376.db2.gz WYPQBKVUOXZRNT-UHFFFAOYSA-N 1 2 273.336 1.912 20 10 CDCDLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1O ZINC000827930642 936615358 /nfs/dbraw/zinc/61/53/58/936615358.db2.gz OCGQTYHMCUBHRQ-LLVKDONJSA-N 1 2 259.309 1.856 20 10 CDCDLO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cc(F)cc1F ZINC001140581244 936727236 /nfs/dbraw/zinc/72/72/36/936727236.db2.gz SKHYOYDAFNZPAP-CHWSQXEVSA-N 1 2 296.317 1.866 20 10 CDCDLO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(O)cc(F)cc1F ZINC001140581244 936727237 /nfs/dbraw/zinc/72/72/37/936727237.db2.gz SKHYOYDAFNZPAP-CHWSQXEVSA-N 1 2 296.317 1.866 20 10 CDCDLO CC(=O)[C@@H]1C[N@H+](Cc2ccc(O)c(C)c2O)CCO1 ZINC001140751405 936750181 /nfs/dbraw/zinc/75/01/81/936750181.db2.gz VKGCUUOORNUROS-ZDUSSCGKSA-N 1 2 265.309 1.196 20 10 CDCDLO CC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)CCO1 ZINC001140751405 936750182 /nfs/dbraw/zinc/75/01/82/936750182.db2.gz VKGCUUOORNUROS-ZDUSSCGKSA-N 1 2 265.309 1.196 20 10 CDCDLO COc1cc(O)c(C[N@H+](C)C2(C)COC2)c(OC)c1 ZINC001141029303 936794756 /nfs/dbraw/zinc/79/47/56/936794756.db2.gz OTJLHRAEQQHMPW-UHFFFAOYSA-N 1 2 267.325 1.630 20 10 CDCDLO COc1cc(O)c(C[N@@H+](C)C2(C)COC2)c(OC)c1 ZINC001141029303 936794757 /nfs/dbraw/zinc/79/47/57/936794757.db2.gz OTJLHRAEQQHMPW-UHFFFAOYSA-N 1 2 267.325 1.630 20 10 CDCDLO Oc1cccc(F)c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001137837503 922978106 /nfs/dbraw/zinc/97/81/06/922978106.db2.gz JLHGHDWRJXEHHJ-ZDUSSCGKSA-N 1 2 294.370 1.828 20 10 CDCDLO COc1cc(C[N@H+](C)Cc2cn(C)nn2)c(O)cc1C ZINC000853567198 928048167 /nfs/dbraw/zinc/04/81/67/928048167.db2.gz FHYNUUPVSUDAKO-UHFFFAOYSA-N 1 2 276.340 1.470 20 10 CDCDLO COc1cc(C[N@@H+](C)Cc2cn(C)nn2)c(O)cc1C ZINC000853567198 928048181 /nfs/dbraw/zinc/04/81/81/928048181.db2.gz FHYNUUPVSUDAKO-UHFFFAOYSA-N 1 2 276.340 1.470 20 10 CDCDLO CN(C)c1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1F ZINC000193006987 934655373 /nfs/dbraw/zinc/65/53/73/934655373.db2.gz MZMAHSKLUZUIBN-UHFFFAOYSA-N 1 2 290.342 1.864 20 10 CDCDLO CN(C)c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1F ZINC000193006987 934655376 /nfs/dbraw/zinc/65/53/76/934655376.db2.gz MZMAHSKLUZUIBN-UHFFFAOYSA-N 1 2 290.342 1.864 20 10 CDCDLO CN1CC[N@H+](Cc2ccc(O)c(O)c2)Cc2cccnc21 ZINC001203879466 939710755 /nfs/dbraw/zinc/71/07/55/939710755.db2.gz RESKUDHUPAFRPX-UHFFFAOYSA-N 1 2 285.347 1.945 20 10 CDCDLO CN1CC[N@@H+](Cc2ccc(O)c(O)c2)Cc2cccnc21 ZINC001203879466 939710757 /nfs/dbraw/zinc/71/07/57/939710757.db2.gz RESKUDHUPAFRPX-UHFFFAOYSA-N 1 2 285.347 1.945 20 10 CDCDLO Cc1cc(F)cc(C[NH+]2CC3(CCN3C)C2)c1O ZINC001277519075 942890831 /nfs/dbraw/zinc/89/08/31/942890831.db2.gz KDCKIOICNVHGJC-UHFFFAOYSA-N 1 2 250.317 1.730 20 10 CDCDLO CC[N@H+](CC(=O)OC)Cc1cc(Cl)c(O)cc1O ZINC001232265000 943195562 /nfs/dbraw/zinc/19/55/62/943195562.db2.gz MYPIAFWXBYQDDP-UHFFFAOYSA-N 1 2 273.716 1.746 20 10 CDCDLO CC[N@@H+](CC(=O)OC)Cc1cc(Cl)c(O)cc1O ZINC001232265000 943195566 /nfs/dbraw/zinc/19/55/66/943195566.db2.gz MYPIAFWXBYQDDP-UHFFFAOYSA-N 1 2 273.716 1.746 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232269126 943196188 /nfs/dbraw/zinc/19/61/88/943196188.db2.gz WJMQMXIUONCQSO-SSDOTTSWSA-N 1 2 273.716 1.745 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232269126 943196195 /nfs/dbraw/zinc/19/61/95/943196195.db2.gz WJMQMXIUONCQSO-SSDOTTSWSA-N 1 2 273.716 1.745 20 10 CDCDLO Cc1cccc(O)c1C[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001237488019 944813336 /nfs/dbraw/zinc/81/33/36/944813336.db2.gz PFLRCMCKWJSUGG-ONGXEEELSA-N 1 2 252.289 1.098 20 10 CDCDLO Cc1cccc(O)c1C[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001237488019 944813338 /nfs/dbraw/zinc/81/33/38/944813338.db2.gz PFLRCMCKWJSUGG-ONGXEEELSA-N 1 2 252.289 1.098 20 10 CDCDLO Oc1cc(F)c(F)cc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001308783988 956576941 /nfs/dbraw/zinc/57/69/41/956576941.db2.gz BTMMFGPVQRPNGR-UHFFFAOYSA-N 1 2 280.278 1.956 20 10 CDCDLO C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001598665808 994674041 /nfs/dbraw/zinc/67/40/41/994674041.db2.gz CFABVDUILUUYDH-IUCAKERBSA-N 1 2 252.314 1.349 20 10 CDCDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000076682387 342323239 /nfs/dbraw/zinc/32/32/39/342323239.db2.gz OHNCEXLXYUDQNC-ODXZIHIVSA-N 1 2 297.376 1.462 20 10 CDCDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000076682387 342323240 /nfs/dbraw/zinc/32/32/40/342323240.db2.gz OHNCEXLXYUDQNC-ODXZIHIVSA-N 1 2 297.376 1.462 20 10 CDCDLO CS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000037740532 356921879 /nfs/dbraw/zinc/92/18/79/356921879.db2.gz OMXFKQZWTZLLGS-UHFFFAOYSA-N 1 2 298.191 1.833 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1cc(F)ccc1O ZINC000180157628 357247409 /nfs/dbraw/zinc/24/74/09/357247409.db2.gz VXLACCYOERGDJM-UHFFFAOYSA-N 1 2 271.288 1.153 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1cc(F)ccc1O ZINC000180157628 357247412 /nfs/dbraw/zinc/24/74/12/357247412.db2.gz VXLACCYOERGDJM-UHFFFAOYSA-N 1 2 271.288 1.153 20 10 CDCDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000180157965 357247426 /nfs/dbraw/zinc/24/74/26/357247426.db2.gz QTTUROQKOSBFIS-JTQLQIEISA-N 1 2 289.372 1.786 20 10 CDCDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180157965 357247430 /nfs/dbraw/zinc/24/74/30/357247430.db2.gz QTTUROQKOSBFIS-JTQLQIEISA-N 1 2 289.372 1.786 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC000123516362 360293187 /nfs/dbraw/zinc/29/31/87/360293187.db2.gz UJXAXPBPMKBKJR-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC000123516362 360293196 /nfs/dbraw/zinc/29/31/96/360293196.db2.gz UJXAXPBPMKBKJR-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CCN(CC)C(=O)C2)c1 ZINC000273535722 365505221 /nfs/dbraw/zinc/50/52/21/365505221.db2.gz WEFWWHSQIOUMDM-UHFFFAOYSA-N 1 2 278.352 1.455 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CCN(CC)C(=O)C2)c1 ZINC000273535722 365505226 /nfs/dbraw/zinc/50/52/26/365505226.db2.gz WEFWWHSQIOUMDM-UHFFFAOYSA-N 1 2 278.352 1.455 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1nncn1C ZINC000273612481 296149654 /nfs/dbraw/zinc/14/96/54/296149654.db2.gz WLNLURZVVYJSKD-DTWKUNHWSA-N 1 2 291.311 1.841 20 10 CDCDLO COc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cc1C ZINC000275770915 371205634 /nfs/dbraw/zinc/20/56/34/371205634.db2.gz HAPZBTGTBUZEOR-LLVKDONJSA-N 1 2 260.341 1.983 20 10 CDCDLO CC(C)NC(=O)OC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000297485145 371995678 /nfs/dbraw/zinc/99/56/78/371995678.db2.gz UOKUJPPBLHBCKE-UHFFFAOYSA-N 1 2 282.315 1.850 20 10 CDCDLO CCOCC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590813293 1173520014 /nfs/dbraw/zinc/52/00/14/1173520014.db2.gz LGYGXLBVZBXKDH-SECBINFHSA-N 1 2 277.328 1.259 20 10 CDCDLO Oc1cc2c(cc1C[NH+]1CC(O)(c3ccccc3)C1)OCO2 ZINC000291532712 328264685 /nfs/dbraw/zinc/26/46/85/328264685.db2.gz KMCDRZDOAPMUSM-UHFFFAOYSA-N 1 2 299.326 1.824 20 10 CDCDLO CCOC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000049368924 521023694 /nfs/dbraw/zinc/02/36/94/521023694.db2.gz FOZSXUGXZYWWEV-LLVKDONJSA-N 1 2 250.342 1.794 20 10 CDCDLO CCOCC[NH+]1CCN(Cc2cc(C)ccc2O)CC1 ZINC000127472975 519921596 /nfs/dbraw/zinc/92/15/96/519921596.db2.gz KEICDXVPUIVEMX-UHFFFAOYSA-N 1 2 278.396 1.855 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000127213535 523353432 /nfs/dbraw/zinc/35/34/32/523353432.db2.gz JVBYRAZONWMEDA-JTQLQIEISA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000127213535 523353436 /nfs/dbraw/zinc/35/34/36/523353436.db2.gz JVBYRAZONWMEDA-JTQLQIEISA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000037073980 523885248 /nfs/dbraw/zinc/88/52/48/523885248.db2.gz UWMPCXGOQCUURT-IUCAKERBSA-N 1 2 253.298 1.613 20 10 CDCDLO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ncnn1C ZINC000276761564 525444121 /nfs/dbraw/zinc/44/41/21/525444121.db2.gz UVYSBOVUCPFBEO-JTQLQIEISA-N 1 2 277.347 1.871 20 10 CDCDLO Nc1ccc(CC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000020506024 527476706 /nfs/dbraw/zinc/47/67/06/527476706.db2.gz FOCWPAZTKKRENB-UHFFFAOYSA-N 1 2 258.325 1.214 20 10 CDCDLO OC[C@H](C[NH2+]Cc1cccc(Cl)c1O)[C@H]1CCOC1 ZINC000280793324 527607155 /nfs/dbraw/zinc/60/71/55/527607155.db2.gz HQNPIQHTYVEJLB-RYUDHWBXSA-N 1 2 285.771 1.780 20 10 CDCDLO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000760041248 576453943 /nfs/dbraw/zinc/45/39/43/576453943.db2.gz XIETWLFTAWTHJL-SFYZADRCSA-N 1 2 290.266 1.967 20 10 CDCDLO COC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000743472807 576641724 /nfs/dbraw/zinc/64/17/24/576641724.db2.gz KHEQTYZTHMNKET-CHWSQXEVSA-N 1 2 292.379 1.735 20 10 CDCDLO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(F)cc(F)c1O ZINC000756781430 577004171 /nfs/dbraw/zinc/00/41/71/577004171.db2.gz FEFDPMGAPCZCMY-SSDOTTSWSA-N 1 2 272.295 1.833 20 10 CDCDLO COc1ccc(C[NH2+][C@H](C)c2nc(C)no2)c(O)c1OC ZINC000893972683 618230597 /nfs/dbraw/zinc/23/05/97/618230597.db2.gz LNIZLFYAZYILPO-MRVPVSSYSA-N 1 2 293.323 1.952 20 10 CDCDLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000895328907 619567648 /nfs/dbraw/zinc/56/76/48/619567648.db2.gz HLFXFETWLAVVRW-MFKMUULPSA-N 1 2 289.734 1.502 20 10 CDCDLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000895328907 619567650 /nfs/dbraw/zinc/56/76/50/619567650.db2.gz HLFXFETWLAVVRW-MFKMUULPSA-N 1 2 289.734 1.502 20 10 CDCDLO O=C1NCCC12CC[NH+](Cc1cc(F)cc(F)c1O)CC2 ZINC000895471479 619690495 /nfs/dbraw/zinc/69/04/95/619690495.db2.gz XEYLJCXCUZRODS-UHFFFAOYSA-N 1 2 296.317 1.773 20 10 CDCDLO CC[C@@H]([NH2+][C@@H](CC)CO)c1cccc(-c2nn[nH]n2)c1O ZINC001590472273 1173425889 /nfs/dbraw/zinc/42/58/89/1173425889.db2.gz RFRORQAZZKMDEK-JOYOIKCWSA-N 1 2 291.355 1.384 20 10 CDCDLO CN(C)S(=O)(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000230992807 823750655 /nfs/dbraw/zinc/75/06/55/823750655.db2.gz QHZCNKVQEAQMID-UHFFFAOYSA-N 1 2 292.788 1.027 20 10 CDCDLO CN1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1=O ZINC000704314438 823803135 /nfs/dbraw/zinc/80/31/35/823803135.db2.gz CWZCSHBNQXDKJG-LLVKDONJSA-N 1 2 268.744 1.756 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1cccc(OC)c1O ZINC000128584704 824491370 /nfs/dbraw/zinc/49/13/70/824491370.db2.gz ZZAONGVOHVUBJP-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1cccc(OC)c1O ZINC000128584704 824491375 /nfs/dbraw/zinc/49/13/75/824491375.db2.gz ZZAONGVOHVUBJP-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO CON(C)C(=O)C[NH2+]Cc1cccc(Cl)c1O ZINC000397535334 825032657 /nfs/dbraw/zinc/03/26/57/825032657.db2.gz PAKJJFFFGDRRJT-UHFFFAOYSA-N 1 2 258.705 1.155 20 10 CDCDLO C[C@H]([NH2+]Cc1nnn(C)n1)c1ccc(Cl)cc1O ZINC000841752177 825174129 /nfs/dbraw/zinc/17/41/29/825174129.db2.gz MUUCANXESWLMIL-ZETCQYMHSA-N 1 2 267.720 1.420 20 10 CDCDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cc(F)ccc1O ZINC000779034167 825180070 /nfs/dbraw/zinc/18/00/70/825180070.db2.gz PLBNUSKYTILRCJ-SKDRFNHKSA-N 1 2 255.289 1.113 20 10 CDCDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cc(F)ccc1O ZINC000779034167 825180087 /nfs/dbraw/zinc/18/00/87/825180087.db2.gz PLBNUSKYTILRCJ-SKDRFNHKSA-N 1 2 255.289 1.113 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718152447 825984543 /nfs/dbraw/zinc/98/45/43/825984543.db2.gz GVOGQOAYUFFLKV-AOOOYVTPSA-N 1 2 255.264 1.749 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718152447 825984566 /nfs/dbraw/zinc/98/45/66/825984566.db2.gz GVOGQOAYUFFLKV-AOOOYVTPSA-N 1 2 255.264 1.749 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817944522 826245869 /nfs/dbraw/zinc/24/58/69/826245869.db2.gz FRXICLUAGLVURJ-RKDXNWHRSA-N 1 2 251.286 1.313 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@H](C)O1 ZINC000846059881 826268807 /nfs/dbraw/zinc/26/88/07/826268807.db2.gz MONHDTAIFIVRJA-HZMBPMFUSA-N 1 2 295.335 1.163 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)C[C@H](C)O1 ZINC000846059881 826268826 /nfs/dbraw/zinc/26/88/26/826268826.db2.gz MONHDTAIFIVRJA-HZMBPMFUSA-N 1 2 295.335 1.163 20 10 CDCDLO CN(C)c1ccc(CN(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000816822824 826388656 /nfs/dbraw/zinc/38/86/56/826388656.db2.gz XDGNOVQRXAYDEB-UHFFFAOYSA-N 1 2 272.352 1.677 20 10 CDCDLO Cn1cc([C@H](CO)[NH2+]Cc2c(O)ccc(Cl)c2F)cn1 ZINC000790980828 826851523 /nfs/dbraw/zinc/85/15/23/826851523.db2.gz PZTXOBKSBDPCGL-NSHDSACASA-N 1 2 299.733 1.741 20 10 CDCDLO CCOC(=O)[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1CCCOC1 ZINC000789578878 826855557 /nfs/dbraw/zinc/85/55/57/826855557.db2.gz DBKIMFJNWNZIGM-HIFRSBDPSA-N 1 2 293.363 1.840 20 10 CDCDLO CCOc1ccc(C[NH+]2CC(OCCOC)C2)c(O)c1 ZINC000838988062 826895452 /nfs/dbraw/zinc/89/54/52/826895452.db2.gz RVPWPNNWYQRAES-UHFFFAOYSA-N 1 2 281.352 1.638 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1c(O)cccc1F ZINC000886549780 827083633 /nfs/dbraw/zinc/08/36/33/827083633.db2.gz NJZJVKAKXCEGJO-MRVPVSSYSA-N 1 2 277.303 1.704 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1COCCO1 ZINC000124719674 827864314 /nfs/dbraw/zinc/86/43/14/827864314.db2.gz ZKRRXIKQQHFEGV-SNVBAGLBSA-N 1 2 257.717 1.551 20 10 CDCDLO COCC[NH2+]CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964851 827876864 /nfs/dbraw/zinc/87/68/64/827876864.db2.gz LELSJZMDNFHOJJ-JTQLQIEISA-N 1 2 283.328 1.187 20 10 CDCDLO O=C(OCCCn1cc[nH+]c1)C1=CC(=O)CS1 ZINC000783607699 828055767 /nfs/dbraw/zinc/05/57/67/828055767.db2.gz JRMATLFMHZEYIR-UHFFFAOYSA-N 1 2 252.295 1.897 20 10 CDCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000883139307 828072673 /nfs/dbraw/zinc/07/26/73/828072673.db2.gz IQPAMMJZIYEMJV-DTORHVGOSA-N 1 2 290.132 1.907 20 10 CDCDLO CN1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC1=O ZINC001143103367 921256642 /nfs/dbraw/zinc/25/66/42/921256642.db2.gz ATNKRZUEPBBULV-UHFFFAOYSA-N 1 2 276.380 1.964 20 10 CDCDLO CN1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC1=O ZINC001143103367 921256646 /nfs/dbraw/zinc/25/66/46/921256646.db2.gz ATNKRZUEPBBULV-UHFFFAOYSA-N 1 2 276.380 1.964 20 10 CDCDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCc2cccc(O)c2C1 ZINC001178105107 915175193 /nfs/dbraw/zinc/17/51/93/915175193.db2.gz LUUHURSOHIYEAT-CYBMUJFWSA-N 1 2 297.358 1.736 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC2(COC2)C1 ZINC001139126241 936599558 /nfs/dbraw/zinc/59/95/58/936599558.db2.gz CIRWJEGEKLONMX-UHFFFAOYSA-N 1 2 287.315 1.639 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCN1C ZINC001203664731 920594443 /nfs/dbraw/zinc/59/44/43/920594443.db2.gz SNQKYOSMOXLISC-LBPRGKRZSA-N 1 2 298.770 1.335 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCN1C ZINC001203664731 920594457 /nfs/dbraw/zinc/59/44/57/920594457.db2.gz SNQKYOSMOXLISC-LBPRGKRZSA-N 1 2 298.770 1.335 20 10 CDCDLO CN1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139397 936818832 /nfs/dbraw/zinc/81/88/32/936818832.db2.gz REBLWADOVZFJAX-UHFFFAOYSA-N 1 2 261.369 1.263 20 10 CDCDLO C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(O)cc2O)C1 ZINC001205807292 925163721 /nfs/dbraw/zinc/16/37/21/925163721.db2.gz ZQEQQMVEPUBYQH-JQWIXIFHSA-N 1 2 250.342 1.657 20 10 CDCDLO C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001205807292 925163727 /nfs/dbraw/zinc/16/37/27/925163727.db2.gz ZQEQQMVEPUBYQH-JQWIXIFHSA-N 1 2 250.342 1.657 20 10 CDCDLO O=C(NCc1cccc(O)c1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001123978211 936259852 /nfs/dbraw/zinc/25/98/52/936259852.db2.gz RKWHOKAVKLEZLQ-LLVKDONJSA-N 1 2 287.319 1.173 20 10 CDCDLO N[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001206667503 938697899 /nfs/dbraw/zinc/69/78/99/938697899.db2.gz JALZUWULUJSOET-NSHDSACASA-N 1 2 260.259 1.700 20 10 CDCDLO N[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001206667503 938697900 /nfs/dbraw/zinc/69/79/00/938697900.db2.gz JALZUWULUJSOET-NSHDSACASA-N 1 2 260.259 1.700 20 10 CDCDLO [NH3+][C@H]1CN(Cc2cc(F)ccc2O)CCC1(F)F ZINC001206667503 938697901 /nfs/dbraw/zinc/69/79/01/938697901.db2.gz JALZUWULUJSOET-NSHDSACASA-N 1 2 260.259 1.700 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCO[C@H](C(C)=O)C2)c1O ZINC001203617200 939696802 /nfs/dbraw/zinc/69/68/02/939696802.db2.gz LRBOUEZAKQFJJV-AWEZNQCLSA-N 1 2 279.336 1.581 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCO[C@H](C(C)=O)C2)c1O ZINC001203617200 939696803 /nfs/dbraw/zinc/69/68/03/939696803.db2.gz LRBOUEZAKQFJJV-AWEZNQCLSA-N 1 2 279.336 1.581 20 10 CDCDLO COCCOC1C[NH+](Cc2ccc(OC)cc2O)C1 ZINC001203635512 939697958 /nfs/dbraw/zinc/69/79/58/939697958.db2.gz ZKHXBCWJRFISCN-UHFFFAOYSA-N 1 2 267.325 1.248 20 10 CDCDLO O=c1cc2[nH]cnc(O[C@H]3CC[NH2+]CC3(F)F)c-2cc1O ZINC001218012317 941035377 /nfs/dbraw/zinc/03/53/77/941035377.db2.gz OTMPZAWXJUBIEO-NSHDSACASA-N 1 2 297.261 1.417 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC3(CCN3C)C2)cc1OC ZINC001276788896 941230979 /nfs/dbraw/zinc/23/09/79/941230979.db2.gz BYUDFVLJAABPCQ-UHFFFAOYSA-N 1 2 278.352 1.299 20 10 CDCDLO Oc1cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)cc(O)c1O ZINC001233016818 943464341 /nfs/dbraw/zinc/46/43/41/943464341.db2.gz PLDLDVPMQWOGAD-SECBINFHSA-N 1 2 285.340 1.833 20 10 CDCDLO C[NH+]1CC2(C1)CCN(Cc1c(O)ccc(F)c1F)C2 ZINC001233335679 943549214 /nfs/dbraw/zinc/54/92/14/943549214.db2.gz GRZSNLLZJQUTKY-UHFFFAOYSA-N 1 2 268.307 1.808 20 10 CDCDLO CN1CC2(C1)CC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233335679 943549216 /nfs/dbraw/zinc/54/92/16/943549216.db2.gz GRZSNLLZJQUTKY-UHFFFAOYSA-N 1 2 268.307 1.808 20 10 CDCDLO CN1CC2(C1)CC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233335679 943549218 /nfs/dbraw/zinc/54/92/18/943549218.db2.gz GRZSNLLZJQUTKY-UHFFFAOYSA-N 1 2 268.307 1.808 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236807634 944575021 /nfs/dbraw/zinc/57/50/21/944575021.db2.gz HGNJWGAOKMLYKZ-UHFFFAOYSA-N 1 2 267.325 1.704 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236807634 944575029 /nfs/dbraw/zinc/57/50/29/944575029.db2.gz HGNJWGAOKMLYKZ-UHFFFAOYSA-N 1 2 267.325 1.704 20 10 CDCDLO C[N@@H+](Cc1c(O)ccc(Cl)c1Cl)C[C@@H](O)CO ZINC001237081581 944653046 /nfs/dbraw/zinc/65/30/46/944653046.db2.gz YRYJGJYLBBXFCM-SSDOTTSWSA-N 1 2 280.151 1.484 20 10 CDCDLO C[N@H+](Cc1c(O)ccc(Cl)c1Cl)C[C@@H](O)CO ZINC001237081581 944653051 /nfs/dbraw/zinc/65/30/51/944653051.db2.gz YRYJGJYLBBXFCM-SSDOTTSWSA-N 1 2 280.151 1.484 20 10 CDCDLO O=C1NCC[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]12 ZINC001237622660 944891884 /nfs/dbraw/zinc/89/18/84/944891884.db2.gz WKIXIGYCQLCCCN-GZMMTYOYSA-N 1 2 298.745 1.753 20 10 CDCDLO O=C1NCC[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]12 ZINC001237622660 944891888 /nfs/dbraw/zinc/89/18/88/944891888.db2.gz WKIXIGYCQLCCCN-GZMMTYOYSA-N 1 2 298.745 1.753 20 10 CDCDLO CN(C)C(=O)C1C[NH+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237798284 944954122 /nfs/dbraw/zinc/95/41/22/944954122.db2.gz CZNSAGJVCJPICS-UHFFFAOYSA-N 1 2 286.734 1.705 20 10 CDCDLO Cc1cc(F)cc(C[N@@H+]2CCNC(=O)C2(C)C)c1O ZINC001238063596 945046080 /nfs/dbraw/zinc/04/60/80/945046080.db2.gz ZKRMMXRZSUREFO-UHFFFAOYSA-N 1 2 266.316 1.550 20 10 CDCDLO Cc1cc(F)cc(C[N@H+]2CCNC(=O)C2(C)C)c1O ZINC001238063596 945046091 /nfs/dbraw/zinc/04/60/91/945046091.db2.gz ZKRMMXRZSUREFO-UHFFFAOYSA-N 1 2 266.316 1.550 20 10 CDCDLO C[C@@H](C(=O)N(C)Cc1ccccc1O)n1cc[nH+]c1 ZINC001324415126 953380386 /nfs/dbraw/zinc/38/03/86/953380386.db2.gz YUBBISWAXMCYSA-NSHDSACASA-N 1 2 259.309 1.808 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000272257884 365157782 /nfs/dbraw/zinc/15/77/82/365157782.db2.gz JNTNIXKYPFXQSH-UHFFFAOYSA-N 1 2 288.326 1.644 20 10 CDCDLO CCN1CC[N@H+](Cc2cc(F)ccc2O)CC1=O ZINC000273554040 365506622 /nfs/dbraw/zinc/50/66/22/365506622.db2.gz ZFUPMAOKJRMKRM-UHFFFAOYSA-N 1 2 252.289 1.195 20 10 CDCDLO CCN1CC[N@@H+](Cc2cc(F)ccc2O)CC1=O ZINC000273554040 365506624 /nfs/dbraw/zinc/50/66/24/365506624.db2.gz ZFUPMAOKJRMKRM-UHFFFAOYSA-N 1 2 252.289 1.195 20 10 CDCDLO COCC1(O)C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000297330852 378811536 /nfs/dbraw/zinc/81/15/36/378811536.db2.gz DXTZMAHBDLTWLH-UHFFFAOYSA-N 1 2 290.407 1.870 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160158675 261206618 /nfs/dbraw/zinc/20/66/18/261206618.db2.gz ZJXGTFFXHICGGG-NSHDSACASA-N 1 2 294.351 1.120 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160158675 261206619 /nfs/dbraw/zinc/20/66/19/261206619.db2.gz ZJXGTFFXHICGGG-NSHDSACASA-N 1 2 294.351 1.120 20 10 CDCDLO C/C=C/C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000185811244 327846063 /nfs/dbraw/zinc/84/60/63/327846063.db2.gz FTNPYPGWRMUFDC-VUDBWIFFSA-N 1 2 266.297 1.717 20 10 CDCDLO NC(=O)[C@@H]1Cc2ccccc2N(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492765268 332412487 /nfs/dbraw/zinc/41/24/87/332412487.db2.gz LPKXWUUVBUZRCK-FOQNGQEVSA-N 1 2 296.330 1.114 20 10 CDCDLO CCOC(=O)[C@@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000049368825 521023731 /nfs/dbraw/zinc/02/37/31/521023731.db2.gz OGIZCPKJELKHNH-SNVBAGLBSA-N 1 2 267.325 1.832 20 10 CDCDLO CCC[N@H+](Cc1nnnn1C)Cc1ccccc1O ZINC000727830675 574600549 /nfs/dbraw/zinc/60/05/49/574600549.db2.gz GPIKPPZBYNPBOP-UHFFFAOYSA-N 1 2 261.329 1.328 20 10 CDCDLO CCC[N@@H+](Cc1nnnn1C)Cc1ccccc1O ZINC000727830675 574600550 /nfs/dbraw/zinc/60/05/50/574600550.db2.gz GPIKPPZBYNPBOP-UHFFFAOYSA-N 1 2 261.329 1.328 20 10 CDCDLO CN(C)c1ccc(CN2CCn3cc[nH+]c3C2)cc1 ZINC000769259111 576340702 /nfs/dbraw/zinc/34/07/02/576340702.db2.gz XWVHPBANKQSELD-UHFFFAOYSA-N 1 2 256.353 1.965 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CCc3nn[nH]c3C2)c1O ZINC000895355056 619597911 /nfs/dbraw/zinc/59/79/11/619597911.db2.gz XCJXSTFKBAKNOM-UHFFFAOYSA-N 1 2 274.324 1.386 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CCc3nn[nH]c3C2)c1O ZINC000895355056 619597914 /nfs/dbraw/zinc/59/79/14/619597914.db2.gz XCJXSTFKBAKNOM-UHFFFAOYSA-N 1 2 274.324 1.386 20 10 CDCDLO Nc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000911661523 629381523 /nfs/dbraw/zinc/38/15/23/629381523.db2.gz WEQZXBHIOSYDDA-SNVBAGLBSA-N 1 2 256.309 1.666 20 10 CDCDLO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001605005316 1163412111 /nfs/dbraw/zinc/41/21/11/1163412111.db2.gz GMKMCCCSFZLUIB-KXUCPTDWSA-N 1 2 291.355 1.646 20 10 CDCDLO C[C@H]([NH2+]CCC(C)(C)O)c1cccc(-c2nn[nH]n2)c1O ZINC001589960875 1173213858 /nfs/dbraw/zinc/21/38/58/1173213858.db2.gz HUFCYNYLPIMKRE-VIFPVBQESA-N 1 2 291.355 1.384 20 10 CDCDLO C[C@H]([NH2+]Cc1cncn1C)c1cccc(-c2nn[nH]n2)c1O ZINC001603670350 1175592420 /nfs/dbraw/zinc/59/24/20/1175592420.db2.gz FICYKYLEEBQKBW-VIFPVBQESA-N 1 2 299.338 1.157 20 10 CDCDLO CC[N@@H+]1CCN(C(=O)C2=CC(=O)CS2)[C@@H](C)C1 ZINC000807689420 828933744 /nfs/dbraw/zinc/93/37/44/828933744.db2.gz RALXGWOSCIMEGG-VIFPVBQESA-N 1 2 254.355 1.620 20 10 CDCDLO CC[N@H+]1CCN(C(=O)C2=CC(=O)CS2)[C@@H](C)C1 ZINC000807689420 828933760 /nfs/dbraw/zinc/93/37/60/828933760.db2.gz RALXGWOSCIMEGG-VIFPVBQESA-N 1 2 254.355 1.620 20 10 CDCDLO C[C@H]([NH2+]Cc1cnon1)c1ccc(N2CCOCC2)cc1 ZINC000851899149 829846421 /nfs/dbraw/zinc/84/64/21/829846421.db2.gz YPOUWZVIASOMNZ-LBPRGKRZSA-N 1 2 288.351 1.757 20 10 CDCDLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ncnn1C ZINC000883101705 830021538 /nfs/dbraw/zinc/02/15/38/830021538.db2.gz RKVCHXZUVHLXHO-ZETCQYMHSA-N 1 2 268.267 1.650 20 10 CDCDLO COc1ccc(C[NH2+]Cc2nnn(C(C)(C)C)n2)c(O)c1 ZINC000848564456 830071341 /nfs/dbraw/zinc/07/13/41/830071341.db2.gz GAYODURHTSTSFZ-UHFFFAOYSA-N 1 2 291.355 1.432 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)NCc1c[nH+]cn1C ZINC000292342918 830611088 /nfs/dbraw/zinc/61/10/88/830611088.db2.gz NSUQJRSAQOACLM-UHFFFAOYSA-N 1 2 274.324 1.467 20 10 CDCDLO COc1cccc([C@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1O ZINC000846166210 832309566 /nfs/dbraw/zinc/30/95/66/832309566.db2.gz UIVJFVLBOBLSPN-VHSXEESVSA-N 1 2 276.340 1.941 20 10 CDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ncccn2)c1 ZINC000850553422 832899562 /nfs/dbraw/zinc/89/95/62/832899562.db2.gz YQKLOQXPTGERTF-JTQLQIEISA-N 1 2 287.319 1.820 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000869412114 834765992 /nfs/dbraw/zinc/76/59/92/834765992.db2.gz ZDZSLUUGXUGPEU-NSCUHMNNSA-N 1 2 290.363 1.205 20 10 CDCDLO CN(C)c1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000130410146 834887131 /nfs/dbraw/zinc/88/71/31/834887131.db2.gz IMPLBPSMTVEODM-CQSZACIVSA-N 1 2 298.390 1.828 20 10 CDCDLO Oc1c(F)ccc(F)c1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235076085 914011371 /nfs/dbraw/zinc/01/13/71/914011371.db2.gz FEMAJTNRYRCGOV-VXGBXAGGSA-N 1 2 254.280 1.607 20 10 CDCDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(O)c(O)c1Cl ZINC001193220338 923541036 /nfs/dbraw/zinc/54/10/36/923541036.db2.gz SMQFNDKFDXVCPH-DTWKUNHWSA-N 1 2 298.770 1.916 20 10 CDCDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(O)c(O)c1Cl ZINC001193220338 923541048 /nfs/dbraw/zinc/54/10/48/923541048.db2.gz SMQFNDKFDXVCPH-DTWKUNHWSA-N 1 2 298.770 1.916 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1OC ZINC000234881015 932626862 /nfs/dbraw/zinc/62/68/62/932626862.db2.gz CHXIJKMBJCINFP-TXEJJXNPSA-N 1 2 271.744 1.891 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1OC ZINC000234881015 932626865 /nfs/dbraw/zinc/62/68/65/932626865.db2.gz CHXIJKMBJCINFP-TXEJJXNPSA-N 1 2 271.744 1.891 20 10 CDCDLO CCOc1ccc(CN2CCC(F)(F)[C@H]([NH3+])C2)c(O)c1 ZINC001206682428 939332919 /nfs/dbraw/zinc/33/29/19/939332919.db2.gz BECNQKJECCUDQA-CYBMUJFWSA-N 1 2 286.322 1.959 20 10 CDCDLO Oc1ccc(C[NH+]2CCN(c3ccncn3)CC2)cc1O ZINC001203880389 939711140 /nfs/dbraw/zinc/71/11/40/939711140.db2.gz QVHKIHYXBWXVPL-UHFFFAOYSA-N 1 2 286.335 1.210 20 10 CDCDLO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001277488854 942792949 /nfs/dbraw/zinc/79/29/49/942792949.db2.gz KUQKKXUELPUFFQ-ZUZCIYMTSA-N 1 2 278.327 1.584 20 10 CDCDLO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001277488854 942792951 /nfs/dbraw/zinc/79/29/51/942792951.db2.gz KUQKKXUELPUFFQ-ZUZCIYMTSA-N 1 2 278.327 1.584 20 10 CDCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(C)CC1 ZINC001231848042 943029827 /nfs/dbraw/zinc/02/98/27/943029827.db2.gz FPZSOKKVCGLVNS-UHFFFAOYSA-N 1 2 263.385 1.509 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233415620 943580170 /nfs/dbraw/zinc/58/01/70/943580170.db2.gz CQRSZGAPBFGPPI-JTQLQIEISA-N 1 2 288.269 1.861 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233415620 943580174 /nfs/dbraw/zinc/58/01/74/943580174.db2.gz CQRSZGAPBFGPPI-JTQLQIEISA-N 1 2 288.269 1.861 20 10 CDCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233487680 943596246 /nfs/dbraw/zinc/59/62/46/943596246.db2.gz NYPZHTOIUXBOFH-YACGNSKGSA-N 1 2 293.319 1.329 20 10 CDCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233487680 943596250 /nfs/dbraw/zinc/59/62/50/943596250.db2.gz NYPZHTOIUXBOFH-YACGNSKGSA-N 1 2 293.319 1.329 20 10 CDCDLO Oc1c(C[NH+]2CC(O)C2)cccc1OC(F)(F)F ZINC001233727321 943646324 /nfs/dbraw/zinc/64/63/24/943646324.db2.gz MHUWIRZAINGZLU-UHFFFAOYSA-N 1 2 263.215 1.467 20 10 CDCDLO O=C([O-])c1ccc(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001235121597 944060538 /nfs/dbraw/zinc/06/05/38/944060538.db2.gz QXPGZQBLOMCZPT-INIZCTEOSA-N 1 2 290.363 1.808 20 10 CDCDLO O=C([O-])c1ccc(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001235121597 944060545 /nfs/dbraw/zinc/06/05/45/944060545.db2.gz QXPGZQBLOMCZPT-INIZCTEOSA-N 1 2 290.363 1.808 20 10 CDCDLO CC1(CO)C[NH+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935688 945011280 /nfs/dbraw/zinc/01/12/80/945011280.db2.gz XMANZCLKGFACET-UHFFFAOYSA-N 1 2 259.708 1.999 20 10 CDCDLO Oc1ccccc1C[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC001329114072 955697834 /nfs/dbraw/zinc/69/78/34/955697834.db2.gz NITFFJJSRYBVAV-GFCCVEGCSA-N 1 2 274.324 1.652 20 10 CDCDLO OC1CCN(c2ccc(C[NH2+]Cc3nnc[nH]3)cc2)CC1 ZINC001308558577 956547028 /nfs/dbraw/zinc/54/70/28/956547028.db2.gz NATJDUAMLFLIAS-UHFFFAOYSA-N 1 2 287.367 1.056 20 10 CDCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000158029082 362188612 /nfs/dbraw/zinc/18/86/12/362188612.db2.gz TZMNXZJXBRXODI-CYBMUJFWSA-N 1 2 296.798 1.952 20 10 CDCDLO COc1ccc2c(c1)CCCC[N@H+]2CCCS(N)(=O)=O ZINC000270918131 364823544 /nfs/dbraw/zinc/82/35/44/364823544.db2.gz UTDKNDVAIMZLFK-UHFFFAOYSA-N 1 2 298.408 1.517 20 10 CDCDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCS(N)(=O)=O ZINC000270918131 364823549 /nfs/dbraw/zinc/82/35/49/364823549.db2.gz UTDKNDVAIMZLFK-UHFFFAOYSA-N 1 2 298.408 1.517 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000272246386 365150443 /nfs/dbraw/zinc/15/04/43/365150443.db2.gz HOFZPPTWVFXVRR-UHFFFAOYSA-N 1 2 288.326 1.644 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](CO)C2)c1O ZINC000273739697 365520364 /nfs/dbraw/zinc/52/03/64/365520364.db2.gz LSMSWHNOXKSKBQ-NSHDSACASA-N 1 2 287.743 1.247 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](CO)C2)c1O ZINC000273739697 365520372 /nfs/dbraw/zinc/52/03/72/365520372.db2.gz LSMSWHNOXKSKBQ-NSHDSACASA-N 1 2 287.743 1.247 20 10 CDCDLO CC(C)[N@H+](Cc1nnn(C)n1)Cc1ccc(N(C)C)cc1 ZINC000281430830 367636888 /nfs/dbraw/zinc/63/68/88/367636888.db2.gz JDKWTJMDRJSATE-UHFFFAOYSA-N 1 2 288.399 1.687 20 10 CDCDLO CC(C)[N@@H+](Cc1nnn(C)n1)Cc1ccc(N(C)C)cc1 ZINC000281430830 367636891 /nfs/dbraw/zinc/63/68/91/367636891.db2.gz JDKWTJMDRJSATE-UHFFFAOYSA-N 1 2 288.399 1.687 20 10 CDCDLO COCC[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000281797539 367688761 /nfs/dbraw/zinc/68/87/61/367688761.db2.gz YECDCEUIRSOAJK-VHSXEESVSA-N 1 2 284.312 1.348 20 10 CDCDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000282660992 367979640 /nfs/dbraw/zinc/97/96/40/367979640.db2.gz GRMLOMDTZRMPPQ-JTQLQIEISA-N 1 2 289.784 1.665 20 10 CDCDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000282660992 367979642 /nfs/dbraw/zinc/97/96/42/367979642.db2.gz GRMLOMDTZRMPPQ-JTQLQIEISA-N 1 2 289.784 1.665 20 10 CDCDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000282667124 367981980 /nfs/dbraw/zinc/98/19/80/367981980.db2.gz HGGAJTSTFWFBSX-NSHDSACASA-N 1 2 273.329 1.150 20 10 CDCDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000282667124 367981988 /nfs/dbraw/zinc/98/19/88/367981988.db2.gz HGGAJTSTFWFBSX-NSHDSACASA-N 1 2 273.329 1.150 20 10 CDCDLO COc1ccc(N2CC[NH+](CC(=O)N3CCC3)CC2)cc1 ZINC000298304309 372077171 /nfs/dbraw/zinc/07/71/71/372077171.db2.gz WYTAMEPQGPBDGW-UHFFFAOYSA-N 1 2 289.379 1.050 20 10 CDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccccc1O ZINC000118399015 390832468 /nfs/dbraw/zinc/83/24/68/390832468.db2.gz VHPPCNJIUWNMKA-UHFFFAOYSA-N 1 2 257.355 1.259 20 10 CDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000118399015 390832471 /nfs/dbraw/zinc/83/24/71/390832471.db2.gz VHPPCNJIUWNMKA-UHFFFAOYSA-N 1 2 257.355 1.259 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1cc(C)c(C)cc1O ZINC000093416215 390902347 /nfs/dbraw/zinc/90/23/47/390902347.db2.gz AUIUTAVNCODMMA-UHFFFAOYSA-N 1 2 281.352 1.630 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1cc(C)c(C)cc1O ZINC000093416215 390902348 /nfs/dbraw/zinc/90/23/48/390902348.db2.gz AUIUTAVNCODMMA-UHFFFAOYSA-N 1 2 281.352 1.630 20 10 CDCDLO COCCN1CC[N@H+](Cc2ccc(N(C)C)cc2)CC1=O ZINC000181571896 391224633 /nfs/dbraw/zinc/22/46/33/391224633.db2.gz BEYDLUMPYHTQCK-UHFFFAOYSA-N 1 2 291.395 1.043 20 10 CDCDLO COCCN1CC[N@@H+](Cc2ccc(N(C)C)cc2)CC1=O ZINC000181571896 391224637 /nfs/dbraw/zinc/22/46/37/391224637.db2.gz BEYDLUMPYHTQCK-UHFFFAOYSA-N 1 2 291.395 1.043 20 10 CDCDLO COc1ccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000493610092 393215936 /nfs/dbraw/zinc/21/59/36/393215936.db2.gz JIKNENDWXHGDAY-ZZXKWVIFSA-N 1 2 258.281 1.490 20 10 CDCDLO COC[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)OC ZINC000273423957 293107083 /nfs/dbraw/zinc/10/70/83/293107083.db2.gz JWWCMUKNBGIESB-ONGXEEELSA-N 1 2 284.312 1.612 20 10 CDCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278281529 521870146 /nfs/dbraw/zinc/87/01/46/521870146.db2.gz SXYGLCNQDDJNMU-VIFPVBQESA-N 1 2 282.296 1.530 20 10 CDCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278281529 521870156 /nfs/dbraw/zinc/87/01/56/521870156.db2.gz SXYGLCNQDDJNMU-VIFPVBQESA-N 1 2 282.296 1.530 20 10 CDCDLO COc1c(O)c(CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278223540 521870167 /nfs/dbraw/zinc/87/01/67/521870167.db2.gz LXWNROMDKVWBQT-UHFFFAOYSA-N 1 2 281.312 1.056 20 10 CDCDLO CC(C)[NH+]1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000731868543 575068710 /nfs/dbraw/zinc/06/87/10/575068710.db2.gz JBSXJQRQEVIXFI-UHFFFAOYSA-N 1 2 254.355 1.620 20 10 CDCDLO Fc1cc(C[NH2+]Cc2ccon2)ccc1N1CCOCC1 ZINC000747621846 576877472 /nfs/dbraw/zinc/87/74/72/576877472.db2.gz BDZARCRRRXGUIO-UHFFFAOYSA-N 1 2 291.326 1.940 20 10 CDCDLO C[C@@H]([NH2+]C[C@H]1COCCO1)c1cc(F)cc(F)c1O ZINC000756433165 576990236 /nfs/dbraw/zinc/99/02/36/576990236.db2.gz AFYSJTDYSCALEC-SCZZXKLOSA-N 1 2 273.279 1.736 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000756433768 576990380 /nfs/dbraw/zinc/99/03/80/576990380.db2.gz HIKSJZHZZBCVHZ-MWLCHTKSSA-N 1 2 282.296 1.366 20 10 CDCDLO CNC(=O)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756483755 576991626 /nfs/dbraw/zinc/99/16/26/576991626.db2.gz PQIYOXQWIFQGCN-MRVPVSSYSA-N 1 2 272.295 1.847 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000756770820 577003779 /nfs/dbraw/zinc/00/37/79/577003779.db2.gz XMJLQOFYOWYACO-BDAKNGLRSA-N 1 2 252.270 1.740 20 10 CDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](F)C2)cc1 ZINC000830467236 618628351 /nfs/dbraw/zinc/62/83/51/618628351.db2.gz JKESOBRDTGYOLP-AWEZNQCLSA-N 1 2 293.386 1.755 20 10 CDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](F)C2)cc1 ZINC000830467236 618628354 /nfs/dbraw/zinc/62/83/54/618628354.db2.gz JKESOBRDTGYOLP-AWEZNQCLSA-N 1 2 293.386 1.755 20 10 CDCDLO O=C1CC[C@H]2C[N@H+](Cc3cc(F)cc(F)c3O)CC[C@H]2N1 ZINC000895258300 619501938 /nfs/dbraw/zinc/50/19/38/619501938.db2.gz BYOWZGUFJOJEPU-TVQRCGJNSA-N 1 2 296.317 1.771 20 10 CDCDLO O=C1CC[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)CC[C@H]2N1 ZINC000895258300 619501941 /nfs/dbraw/zinc/50/19/41/619501941.db2.gz BYOWZGUFJOJEPU-TVQRCGJNSA-N 1 2 296.317 1.771 20 10 CDCDLO C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC000917355568 632201435 /nfs/dbraw/zinc/20/14/35/632201435.db2.gz IWWMGTNVLZJLCT-NSHDSACASA-N 1 2 289.335 1.604 20 10 CDCDLO O=C1NC[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]12 ZINC001237621836 1167397264 /nfs/dbraw/zinc/39/72/64/1167397264.db2.gz GFACXHGTEUYLDW-KWQFWETISA-N 1 2 298.745 1.753 20 10 CDCDLO O=C1NC[C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]12 ZINC001237621836 1167397267 /nfs/dbraw/zinc/39/72/67/1167397267.db2.gz GFACXHGTEUYLDW-KWQFWETISA-N 1 2 298.745 1.753 20 10 CDCDLO C[C@H](CCCO)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589821881 1173188796 /nfs/dbraw/zinc/18/87/96/1173188796.db2.gz YTRZJMQZHGQANS-NXEZZACHSA-N 1 2 291.355 1.384 20 10 CDCDLO C[C@H](CCO)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603495180 1175558709 /nfs/dbraw/zinc/55/87/09/1175558709.db2.gz IJKJFOQDLSQTMI-NXEZZACHSA-N 1 2 291.355 1.241 20 10 CDCDLO CCc1cccc(C[N@H+](C)Cc2cn(C)nn2)c1O ZINC000827305502 837789608 /nfs/dbraw/zinc/78/96/08/837789608.db2.gz UDTIUFPABBDJBT-UHFFFAOYSA-N 1 2 260.341 1.715 20 10 CDCDLO CCc1cccc(C[N@@H+](C)Cc2cn(C)nn2)c1O ZINC000827305502 837789633 /nfs/dbraw/zinc/78/96/33/837789633.db2.gz UDTIUFPABBDJBT-UHFFFAOYSA-N 1 2 260.341 1.715 20 10 CDCDLO CN(C)c1cc(F)c(C[N@@H+]2CCCN(C=O)CC2)cc1F ZINC000862417635 837832561 /nfs/dbraw/zinc/83/25/61/837832561.db2.gz FFRRVJSWHKKLTE-UHFFFAOYSA-N 1 2 297.349 1.695 20 10 CDCDLO CN(C)c1cc(F)c(C[N@H+]2CCCN(C=O)CC2)cc1F ZINC000862417635 837832562 /nfs/dbraw/zinc/83/25/62/837832562.db2.gz FFRRVJSWHKKLTE-UHFFFAOYSA-N 1 2 297.349 1.695 20 10 CDCDLO CCNC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000708384295 837338079 /nfs/dbraw/zinc/33/80/79/837338079.db2.gz OWYLJXJAYMTGEA-UHFFFAOYSA-N 1 2 258.268 1.238 20 10 CDCDLO CCNC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000708384295 837338094 /nfs/dbraw/zinc/33/80/94/837338094.db2.gz OWYLJXJAYMTGEA-UHFFFAOYSA-N 1 2 258.268 1.238 20 10 CDCDLO C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N)cc1 ZINC000863558402 838114890 /nfs/dbraw/zinc/11/48/90/838114890.db2.gz HDSDOLYFHVBDIO-NSHDSACASA-N 1 2 268.382 1.530 20 10 CDCDLO C[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N)cc1 ZINC000863558402 838114902 /nfs/dbraw/zinc/11/49/02/838114902.db2.gz HDSDOLYFHVBDIO-NSHDSACASA-N 1 2 268.382 1.530 20 10 CDCDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000783733171 838216865 /nfs/dbraw/zinc/21/68/65/838216865.db2.gz KAQLHKIVRZVLOS-LBPRGKRZSA-N 1 2 261.369 1.415 20 10 CDCDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000783733171 838216897 /nfs/dbraw/zinc/21/68/97/838216897.db2.gz KAQLHKIVRZVLOS-LBPRGKRZSA-N 1 2 261.369 1.415 20 10 CDCDLO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(F)cc1O ZINC000702652491 839084546 /nfs/dbraw/zinc/08/45/46/839084546.db2.gz LISNYEKQHCAJRX-HZMBPMFUSA-N 1 2 268.332 1.249 20 10 CDCDLO CNC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970828 839171839 /nfs/dbraw/zinc/17/18/39/839171839.db2.gz LZQLJFDJUHQEBL-UHFFFAOYSA-N 1 2 274.320 1.733 20 10 CDCDLO CNC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970828 839171852 /nfs/dbraw/zinc/17/18/52/839171852.db2.gz LZQLJFDJUHQEBL-UHFFFAOYSA-N 1 2 274.320 1.733 20 10 CDCDLO C[C@H]([NH2+]CCN1CCCC1=O)c1cc(F)cc(F)c1O ZINC000846204637 839382699 /nfs/dbraw/zinc/38/26/99/839382699.db2.gz AFNMQOPSOMUHQZ-VIFPVBQESA-N 1 2 284.306 1.943 20 10 CDCDLO COc1cc(O)c(C[N@H+](C)Cc2cn(C)nn2)cc1OC ZINC000853568395 840495093 /nfs/dbraw/zinc/49/50/93/840495093.db2.gz UJUHYTYDWCOFBY-UHFFFAOYSA-N 1 2 292.339 1.170 20 10 CDCDLO COc1cc(O)c(C[N@@H+](C)Cc2cn(C)nn2)cc1OC ZINC000853568395 840495100 /nfs/dbraw/zinc/49/51/00/840495100.db2.gz UJUHYTYDWCOFBY-UHFFFAOYSA-N 1 2 292.339 1.170 20 10 CDCDLO COc1cccc(O)c1CNCC1([NH+](C)C)CCC1 ZINC000782535099 841009542 /nfs/dbraw/zinc/00/95/42/841009542.db2.gz BCXZUXDHIMBEAF-UHFFFAOYSA-N 1 2 264.369 1.975 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000862755750 841843903 /nfs/dbraw/zinc/84/39/03/841843903.db2.gz XJCGQNCIRBONCK-GFCCVEGCSA-N 1 2 285.347 1.776 20 10 CDCDLO COC(=O)[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000793182577 842189991 /nfs/dbraw/zinc/18/99/91/842189991.db2.gz LIFGBKCKFPCUAU-LBPRGKRZSA-N 1 2 292.379 1.815 20 10 CDCDLO OCCC[NH+]1CCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140582922 936727163 /nfs/dbraw/zinc/72/71/63/936727163.db2.gz PQXNTSLLCLLKSK-UHFFFAOYSA-N 1 2 286.322 1.170 20 10 CDCDLO C[N@H+](C1CN(Cc2c(O)cc(F)cc2F)C1)[C@@H]1CCOC1 ZINC001140583305 936727600 /nfs/dbraw/zinc/72/76/00/936727600.db2.gz DLGLRSYVQAHBRM-LLVKDONJSA-N 1 2 298.333 1.575 20 10 CDCDLO C[N@@H+](C1CN(Cc2c(O)cc(F)cc2F)C1)[C@@H]1CCOC1 ZINC001140583305 936727602 /nfs/dbraw/zinc/72/76/02/936727602.db2.gz DLGLRSYVQAHBRM-LLVKDONJSA-N 1 2 298.333 1.575 20 10 CDCDLO [NH3+][C@@H]1CN(Cc2cc(Cl)c(O)cc2O)CCC1(F)F ZINC001206673998 938769314 /nfs/dbraw/zinc/76/93/14/938769314.db2.gz CFEZWZLLWVDMLP-LLVKDONJSA-N 1 2 292.713 1.920 20 10 CDCDLO [NH3+][C@H]1CN(Cc2cc(F)c(F)cc2O)CCC1(F)F ZINC001206673918 938769398 /nfs/dbraw/zinc/76/93/98/938769398.db2.gz AIQBTPOEXMCYFA-NSHDSACASA-N 1 2 278.249 1.839 20 10 CDCDLO COc1cccc(C[NH+]2CC(N(C)[C@@H]3CCOC3)C2)c1O ZINC001203596587 939695615 /nfs/dbraw/zinc/69/56/15/939695615.db2.gz KKETXMVQEKROOG-CYBMUJFWSA-N 1 2 292.379 1.306 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC000316455115 941486023 /nfs/dbraw/zinc/48/60/23/941486023.db2.gz OTAWPCURNPWMGP-MFKMUULPSA-N 1 2 299.754 1.033 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC000316455115 941486025 /nfs/dbraw/zinc/48/60/25/941486025.db2.gz OTAWPCURNPWMGP-MFKMUULPSA-N 1 2 299.754 1.033 20 10 CDCDLO COC(=O)CC1C[NH+](Cc2c(O)ccc(F)c2F)C1 ZINC001233334401 943546626 /nfs/dbraw/zinc/54/66/26/943546626.db2.gz FEXSSAHPVBUKGR-UHFFFAOYSA-N 1 2 271.263 1.665 20 10 CDCDLO CCc1ccc(C[N@@H+]2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235506862 944178382 /nfs/dbraw/zinc/17/83/82/944178382.db2.gz ACTAYVCHUISSPV-UHFFFAOYSA-N 1 2 287.363 1.659 20 10 CDCDLO CCc1ccc(C[N@H+]2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235506862 944178386 /nfs/dbraw/zinc/17/83/86/944178386.db2.gz ACTAYVCHUISSPV-UHFFFAOYSA-N 1 2 287.363 1.659 20 10 CDCDLO Cc1c(O)ccc(C[N@@H+]2C[C@@H](C)N[C@@H](C)C2)c1O ZINC001236575973 944513200 /nfs/dbraw/zinc/51/32/00/944513200.db2.gz FTJPRFWLPKHORH-AOOOYVTPSA-N 1 2 250.342 1.588 20 10 CDCDLO Cc1c(O)ccc(C[N@H+]2C[C@@H](C)N[C@@H](C)C2)c1O ZINC001236575973 944513204 /nfs/dbraw/zinc/51/32/04/944513204.db2.gz FTJPRFWLPKHORH-AOOOYVTPSA-N 1 2 250.342 1.588 20 10 CDCDLO COc1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(O)c1Cl ZINC001236801187 944572658 /nfs/dbraw/zinc/57/26/58/944572658.db2.gz HEUBWIYBIVEGGB-NXEZZACHSA-N 1 2 289.734 1.959 20 10 CDCDLO COc1ccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c(O)c1Cl ZINC001236801187 944572660 /nfs/dbraw/zinc/57/26/60/944572660.db2.gz HEUBWIYBIVEGGB-NXEZZACHSA-N 1 2 289.734 1.959 20 10 CDCDLO CCN1CC[N@H+](Cc2c(C)cc(OC)cc2O)CC1=O ZINC001236810189 944575948 /nfs/dbraw/zinc/57/59/48/944575948.db2.gz CUBMPGMEMMZMFP-UHFFFAOYSA-N 1 2 278.352 1.373 20 10 CDCDLO CCN1CC[N@@H+](Cc2c(C)cc(OC)cc2O)CC1=O ZINC001236810189 944575955 /nfs/dbraw/zinc/57/59/55/944575955.db2.gz CUBMPGMEMMZMFP-UHFFFAOYSA-N 1 2 278.352 1.373 20 10 CDCDLO CN1CCC2(C[NH+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001237799634 944954045 /nfs/dbraw/zinc/95/40/45/944954045.db2.gz FCCQPOWCNHDRPM-UHFFFAOYSA-N 1 2 298.745 1.849 20 10 CDCDLO CCC(=O)N1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238057821 945045275 /nfs/dbraw/zinc/04/52/75/945045275.db2.gz NZVZUUUGSPHWLH-UHFFFAOYSA-N 1 2 280.343 1.894 20 10 CDCDLO C[C@H](C(=O)NCc1cc(O)ccc1O)n1cc[nH+]c1 ZINC001303223163 956067517 /nfs/dbraw/zinc/06/75/17/956067517.db2.gz CSUJBJRCSIRBFQ-SECBINFHSA-N 1 2 261.281 1.172 20 10 CDCDLO CN1CCO[C@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@H]21 ZINC000775717270 970101812 /nfs/dbraw/zinc/10/18/12/970101812.db2.gz NXROFECCCZTXOH-OLZOCXBDSA-N 1 2 282.771 1.560 20 10 CDCDLO CN1CCO[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]21 ZINC000775717270 970101817 /nfs/dbraw/zinc/10/18/17/970101817.db2.gz NXROFECCCZTXOH-OLZOCXBDSA-N 1 2 282.771 1.560 20 10 CDCDLO C[N@H+](CC(=O)NC1CC1)Cc1cccc(Cl)c1O ZINC000179606974 357216247 /nfs/dbraw/zinc/21/62/47/357216247.db2.gz HUCAOXPKMMSFRL-UHFFFAOYSA-N 1 2 268.744 1.756 20 10 CDCDLO C[N@@H+](CC(=O)NC1CC1)Cc1cccc(Cl)c1O ZINC000179606974 357216252 /nfs/dbraw/zinc/21/62/52/357216252.db2.gz HUCAOXPKMMSFRL-UHFFFAOYSA-N 1 2 268.744 1.756 20 10 CDCDLO COC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000193099286 358264430 /nfs/dbraw/zinc/26/44/30/358264430.db2.gz BKPIRZTZVDYSAF-SSDOTTSWSA-N 1 2 273.716 1.705 20 10 CDCDLO COC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000271154919 364947172 /nfs/dbraw/zinc/94/71/72/364947172.db2.gz AUBPGKYMNWZLSE-CYBMUJFWSA-N 1 2 282.359 1.739 20 10 CDCDLO COC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000271154919 364947181 /nfs/dbraw/zinc/94/71/81/364947181.db2.gz AUBPGKYMNWZLSE-CYBMUJFWSA-N 1 2 282.359 1.739 20 10 CDCDLO COC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000271184369 364965669 /nfs/dbraw/zinc/96/56/69/364965669.db2.gz MMJWSQUZEBISNN-JTQLQIEISA-N 1 2 271.744 1.893 20 10 CDCDLO COC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000271184369 364965672 /nfs/dbraw/zinc/96/56/72/364965672.db2.gz MMJWSQUZEBISNN-JTQLQIEISA-N 1 2 271.744 1.893 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1F ZINC000271307654 364979206 /nfs/dbraw/zinc/97/92/06/364979206.db2.gz WAHGQFOQHAAFMT-GFCCVEGCSA-N 1 2 292.358 1.101 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1F ZINC000271307654 364979215 /nfs/dbraw/zinc/97/92/15/364979215.db2.gz WAHGQFOQHAAFMT-GFCCVEGCSA-N 1 2 292.358 1.101 20 10 CDCDLO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000276698393 279027546 /nfs/dbraw/zinc/02/75/46/279027546.db2.gz VLCVFWWEPMFIGB-ZJUUUORDSA-N 1 2 295.339 1.818 20 10 CDCDLO CN1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000127317708 290047697 /nfs/dbraw/zinc/04/76/97/290047697.db2.gz ROVAZJRBHCYOEC-UHFFFAOYSA-N 1 2 287.407 1.951 20 10 CDCDLO CN1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000127317708 290047699 /nfs/dbraw/zinc/04/76/99/290047699.db2.gz ROVAZJRBHCYOEC-UHFFFAOYSA-N 1 2 287.407 1.951 20 10 CDCDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[S@](=O)C1 ZINC000277636359 300269551 /nfs/dbraw/zinc/26/95/51/300269551.db2.gz YDUQVNRROUAJDB-YPMLDQLKSA-N 1 2 271.357 1.732 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[S@](=O)C1 ZINC000277636359 300269555 /nfs/dbraw/zinc/26/95/55/300269555.db2.gz YDUQVNRROUAJDB-YPMLDQLKSA-N 1 2 271.357 1.732 20 10 CDCDLO c1snnc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000398371768 1160103415 /nfs/dbraw/zinc/10/34/15/1160103415.db2.gz JMTRBCULNHIVSS-UHFFFAOYSA-N 1 2 290.392 1.665 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1O ZINC000840975627 617969332 /nfs/dbraw/zinc/96/93/32/617969332.db2.gz PMCOQUXYTNTMIQ-JOYOIKCWSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1O ZINC000840975627 617969334 /nfs/dbraw/zinc/96/93/34/617969334.db2.gz PMCOQUXYTNTMIQ-JOYOIKCWSA-N 1 2 289.734 1.360 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000897201771 620414201 /nfs/dbraw/zinc/41/42/01/620414201.db2.gz NHQZBSAXABGXTO-LLVKDONJSA-N 1 2 271.744 1.941 20 10 CDCDLO CCOCC[NH2+][C@H](CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590813523 1173520577 /nfs/dbraw/zinc/52/05/77/1173520577.db2.gz SCUHMPUITTZRHZ-GFCCVEGCSA-N 1 2 291.355 1.650 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000775714963 844226414 /nfs/dbraw/zinc/22/64/14/844226414.db2.gz YATIUCDKVKPPHH-UHFFFAOYSA-N 1 2 259.309 1.682 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000775714963 844226449 /nfs/dbraw/zinc/22/64/49/844226449.db2.gz YATIUCDKVKPPHH-UHFFFAOYSA-N 1 2 259.309 1.682 20 10 CDCDLO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000834899714 844334268 /nfs/dbraw/zinc/33/42/68/844334268.db2.gz JSXKHLGODXKSIL-HTQZYQBOSA-N 1 2 272.295 1.846 20 10 CDCDLO Cn1c[nH+]cc1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000806942899 844363777 /nfs/dbraw/zinc/36/37/77/844363777.db2.gz IXGCBEHICLFVFE-UHFFFAOYSA-N 1 2 299.374 1.863 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](CO)O1 ZINC000787417116 843004519 /nfs/dbraw/zinc/00/45/19/843004519.db2.gz IXWOVEGNEAZELJ-YPMHNXCESA-N 1 2 282.359 1.473 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](CO)O1 ZINC000787417116 843004531 /nfs/dbraw/zinc/00/45/31/843004531.db2.gz IXWOVEGNEAZELJ-YPMHNXCESA-N 1 2 282.359 1.473 20 10 CDCDLO OCCC[N@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000775692561 843087233 /nfs/dbraw/zinc/08/72/33/843087233.db2.gz LSLRGBYPDKMZIL-UHFFFAOYSA-N 1 2 277.723 1.361 20 10 CDCDLO OCCC[N@@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000775692561 843087255 /nfs/dbraw/zinc/08/72/55/843087255.db2.gz LSLRGBYPDKMZIL-UHFFFAOYSA-N 1 2 277.723 1.361 20 10 CDCDLO COc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)c(O)cc1C ZINC000840135203 843470881 /nfs/dbraw/zinc/47/08/81/843470881.db2.gz RQMFYKKQHGZMSE-JTQLQIEISA-N 1 2 264.325 1.030 20 10 CDCDLO COc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(O)cc1C ZINC000840135203 843470887 /nfs/dbraw/zinc/47/08/87/843470887.db2.gz RQMFYKKQHGZMSE-JTQLQIEISA-N 1 2 264.325 1.030 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)Cc2c[nH+]cn2C)c1 ZINC000862757320 843865112 /nfs/dbraw/zinc/86/51/12/843865112.db2.gz PAHPUJWCVORPIN-UHFFFAOYSA-N 1 2 259.309 1.293 20 10 CDCDLO Nc1cc(COC(=O)/C=C\c2ccc(O)c(O)c2)cc[nH+]1 ZINC000792042319 844895987 /nfs/dbraw/zinc/89/59/87/844895987.db2.gz SHDRWJCDGTWLTF-RQOWECAXSA-N 1 2 286.287 1.832 20 10 CDCDLO C[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)c2c1c(F)ccc2O ZINC000787031560 845299810 /nfs/dbraw/zinc/29/98/10/845299810.db2.gz OBDUHYWZTJIEHI-CBAPKCEASA-N 1 2 277.303 1.393 20 10 CDCDLO O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000778190203 845422715 /nfs/dbraw/zinc/42/27/15/845422715.db2.gz VTXWCQHTMVUYMK-NSHDSACASA-N 1 2 288.307 1.602 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+](C)Cc2cn(C)nn2)c1O ZINC000827304804 845550344 /nfs/dbraw/zinc/55/03/44/845550344.db2.gz GETJWXIXJKBSBM-UHFFFAOYSA-N 1 2 296.758 1.815 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+](C)Cc2cn(C)nn2)c1O ZINC000827304804 845550353 /nfs/dbraw/zinc/55/03/53/845550353.db2.gz GETJWXIXJKBSBM-UHFFFAOYSA-N 1 2 296.758 1.815 20 10 CDCDLO C[N@@H+]1CCCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000703565865 846026780 /nfs/dbraw/zinc/02/67/80/846026780.db2.gz SVLAVLACSJOALO-UHFFFAOYSA-N 1 2 256.296 1.808 20 10 CDCDLO C[N@H+]1CCCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000703565865 846026788 /nfs/dbraw/zinc/02/67/88/846026788.db2.gz SVLAVLACSJOALO-UHFFFAOYSA-N 1 2 256.296 1.808 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](O)CC ZINC000823576798 846474134 /nfs/dbraw/zinc/47/41/34/846474134.db2.gz ZNBFCUGODHGANC-ZDUSSCGKSA-N 1 2 281.352 1.528 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](O)CC ZINC000823576798 846474145 /nfs/dbraw/zinc/47/41/45/846474145.db2.gz ZNBFCUGODHGANC-ZDUSSCGKSA-N 1 2 281.352 1.528 20 10 CDCDLO Cc1cc(O)c(C[NH+]2CCN(CCO)CC2)cc1Cl ZINC000824473477 846556137 /nfs/dbraw/zinc/55/61/37/846556137.db2.gz ANHOJDVVKSRDDJ-UHFFFAOYSA-N 1 2 284.787 1.464 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnn(C)n1)c1cc2c(cc1O)CCCC2 ZINC000787042990 847265481 /nfs/dbraw/zinc/26/54/81/847265481.db2.gz RFFDFMKHSGKLDX-SNVBAGLBSA-N 1 2 287.367 1.645 20 10 CDCDLO C[C@@H]1[C@H]([NH2+]Cc2cccc(Cl)c2O)CCS1(=O)=O ZINC000311169874 847548501 /nfs/dbraw/zinc/54/85/01/847548501.db2.gz PTYRKNUKHZZPBI-LDYMZIIASA-N 1 2 289.784 1.711 20 10 CDCDLO C[NH+](C)[C@H]1CCN(Cc2ccc(F)c(F)c2O)C1 ZINC000703565348 847599468 /nfs/dbraw/zinc/59/94/68/847599468.db2.gz SIDXMCUPUVXJPU-JTQLQIEISA-N 1 2 256.296 1.806 20 10 CDCDLO C[C@H]1CC[C@@H](C[NH3+])N1Cc1c(O)cc(F)cc1F ZINC001205068691 912571859 /nfs/dbraw/zinc/57/18/59/912571859.db2.gz MNGZAVSDQYWVNP-WPRPVWTQSA-N 1 2 256.296 1.982 20 10 CDCDLO Cc1ccc(O)c(C[N@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c1 ZINC001272622851 914201402 /nfs/dbraw/zinc/20/14/02/914201402.db2.gz SYOUVZPSZOVYGS-HUUCEWRRSA-N 1 2 296.317 1.405 20 10 CDCDLO Cc1ccc(O)c(C[N@@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c1 ZINC001272622851 914201415 /nfs/dbraw/zinc/20/14/15/914201415.db2.gz SYOUVZPSZOVYGS-HUUCEWRRSA-N 1 2 296.317 1.405 20 10 CDCDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC001138127273 936475087 /nfs/dbraw/zinc/47/50/87/936475087.db2.gz VKAHHTLCYSLYSL-FUNVUKJBSA-N 1 2 281.327 1.910 20 10 CDCDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC001138127273 936475088 /nfs/dbraw/zinc/47/50/88/936475088.db2.gz VKAHHTLCYSLYSL-FUNVUKJBSA-N 1 2 281.327 1.910 20 10 CDCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCO1 ZINC001140659982 936736339 /nfs/dbraw/zinc/73/63/39/936736339.db2.gz BFDNCCIEWLZGDY-ZDUSSCGKSA-N 1 2 294.370 1.883 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CCO1 ZINC001140659982 936736341 /nfs/dbraw/zinc/73/63/41/936736341.db2.gz BFDNCCIEWLZGDY-ZDUSSCGKSA-N 1 2 294.370 1.883 20 10 CDCDLO COc1cc(O)c(C[N@H+](C)Cc2cnccn2)c(OC)c1 ZINC001141028202 936794321 /nfs/dbraw/zinc/79/43/21/936794321.db2.gz FTJVHDIJXMGDGQ-UHFFFAOYSA-N 1 2 289.335 1.831 20 10 CDCDLO COc1cc(O)c(C[N@@H+](C)Cc2cnccn2)c(OC)c1 ZINC001141028202 936794323 /nfs/dbraw/zinc/79/43/23/936794323.db2.gz FTJVHDIJXMGDGQ-UHFFFAOYSA-N 1 2 289.335 1.831 20 10 CDCDLO COc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c(O)c1 ZINC001203634661 939698870 /nfs/dbraw/zinc/69/88/70/939698870.db2.gz QEJYTBKUTSTAOU-JTQLQIEISA-N 1 2 264.325 1.063 20 10 CDCDLO COc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c(O)c1 ZINC001203634661 939698871 /nfs/dbraw/zinc/69/88/71/939698871.db2.gz QEJYTBKUTSTAOU-JTQLQIEISA-N 1 2 264.325 1.063 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCN1C ZINC001203664730 939700560 /nfs/dbraw/zinc/70/05/60/939700560.db2.gz SNQKYOSMOXLISC-GFCCVEGCSA-N 1 2 298.770 1.335 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCN1C ZINC001203664730 939700561 /nfs/dbraw/zinc/70/05/61/939700561.db2.gz SNQKYOSMOXLISC-GFCCVEGCSA-N 1 2 298.770 1.335 20 10 CDCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203883727 939712082 /nfs/dbraw/zinc/71/20/82/939712082.db2.gz MNAJWDDSGMKBRZ-SUNKGSAMSA-N 1 2 277.320 1.624 20 10 CDCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203883727 939712084 /nfs/dbraw/zinc/71/20/84/939712084.db2.gz MNAJWDDSGMKBRZ-SUNKGSAMSA-N 1 2 277.320 1.624 20 10 CDCDLO C[C@@]1(O)COCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231910306 943039150 /nfs/dbraw/zinc/03/91/50/943039150.db2.gz LAMAAJYLCNRMPZ-ZDUSSCGKSA-N 1 2 271.744 1.629 20 10 CDCDLO C[C@@]1(O)COCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231910306 943039155 /nfs/dbraw/zinc/03/91/55/943039155.db2.gz LAMAAJYLCNRMPZ-ZDUSSCGKSA-N 1 2 271.744 1.629 20 10 CDCDLO COC(=O)Cc1ccc(C[N@H+](C)Cc2ccon2)c(O)c1 ZINC001249207920 949460127 /nfs/dbraw/zinc/46/01/27/949460127.db2.gz MJDOWNJLEVPFHN-UHFFFAOYSA-N 1 2 290.319 1.728 20 10 CDCDLO COC(=O)Cc1ccc(C[N@@H+](C)Cc2ccon2)c(O)c1 ZINC001249207920 949460136 /nfs/dbraw/zinc/46/01/36/949460136.db2.gz MJDOWNJLEVPFHN-UHFFFAOYSA-N 1 2 290.319 1.728 20 10 CDCDLO O=C([O-])C[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2O)CC1 ZINC001595079533 951667958 /nfs/dbraw/zinc/66/79/58/951667958.db2.gz NUBBKGAVXTWCCO-UHFFFAOYSA-N 1 2 298.770 1.684 20 10 CDCDLO O=C([O-])C[NH+]1CCC([NH2+]Cc2cccc(F)c2O)CC1 ZINC001329776295 956108108 /nfs/dbraw/zinc/10/81/08/956108108.db2.gz XOBKZXURHFZTPV-UHFFFAOYSA-N 1 2 282.315 1.170 20 10 CDCDLO CCc1[nH]c(CNC(=O)c2cccc(O)c2O)c[nH+]1 ZINC001303975337 956140373 /nfs/dbraw/zinc/14/03/73/956140373.db2.gz XVMVEOFTUXWZKS-UHFFFAOYSA-N 1 2 261.281 1.313 20 10 CDCDLO CCc1[nH]cc(CNC(=O)c2cccc(O)c2O)[nH+]1 ZINC001303975337 956140378 /nfs/dbraw/zinc/14/03/78/956140378.db2.gz XVMVEOFTUXWZKS-UHFFFAOYSA-N 1 2 261.281 1.313 20 10 CDCDLO Cc1ccc2c(n1)OCCN2C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904629 366184963 /nfs/dbraw/zinc/18/49/63/366184963.db2.gz XFDDNHGUQGUDOC-HWKANZROSA-N 1 2 270.292 1.552 20 10 CDCDLO CNC(=O)[C@H](C)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000180681931 357283176 /nfs/dbraw/zinc/28/31/76/357283176.db2.gz YNOIJUXTDXMGEU-SECBINFHSA-N 1 2 270.760 1.860 20 10 CDCDLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180681931 357283179 /nfs/dbraw/zinc/28/31/79/357283179.db2.gz YNOIJUXTDXMGEU-SECBINFHSA-N 1 2 270.760 1.860 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000123516139 360291934 /nfs/dbraw/zinc/29/19/34/360291934.db2.gz UJXAXPBPMKBKJR-JTQLQIEISA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000123516139 360291937 /nfs/dbraw/zinc/29/19/37/360291937.db2.gz UJXAXPBPMKBKJR-JTQLQIEISA-N 1 2 264.325 1.111 20 10 CDCDLO Nc1ccc(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269263411 364169204 /nfs/dbraw/zinc/16/92/04/364169204.db2.gz XCHNOUMFBTUULY-CYBMUJFWSA-N 1 2 284.363 1.941 20 10 CDCDLO C[C@@H]([NH2+]Cc1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273362509 365488822 /nfs/dbraw/zinc/48/88/22/365488822.db2.gz DFBRNAAZUXCSLO-SECBINFHSA-N 1 2 276.296 1.885 20 10 CDCDLO CC[N@H+](CCOCCO)Cc1cccc(Cl)c1O ZINC000282731704 368011774 /nfs/dbraw/zinc/01/17/74/368011774.db2.gz MJNDRZXEXBFIAY-UHFFFAOYSA-N 1 2 273.760 1.876 20 10 CDCDLO CC[N@@H+](CCOCCO)Cc1cccc(Cl)c1O ZINC000282731704 368011780 /nfs/dbraw/zinc/01/17/80/368011780.db2.gz MJNDRZXEXBFIAY-UHFFFAOYSA-N 1 2 273.760 1.876 20 10 CDCDLO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000158135619 392421630 /nfs/dbraw/zinc/42/16/30/392421630.db2.gz FONGDJPMYXISOB-OLZOCXBDSA-N 1 2 296.798 1.998 20 10 CDCDLO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000158135619 392421635 /nfs/dbraw/zinc/42/16/35/392421635.db2.gz FONGDJPMYXISOB-OLZOCXBDSA-N 1 2 296.798 1.998 20 10 CDCDLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276145045 285569566 /nfs/dbraw/zinc/56/95/66/285569566.db2.gz CXVJVJNPRVKORC-HTQZYQBOSA-N 1 2 272.295 1.846 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)CCCO)c1cccc(-c2nn[nH]n2)c1O ZINC001589821887 1173186825 /nfs/dbraw/zinc/18/68/25/1173186825.db2.gz YTRZJMQZHGQANS-VHSXEESVSA-N 1 2 291.355 1.384 20 10 CDCDLO CCn1cnnc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000230658828 333319873 /nfs/dbraw/zinc/31/98/73/333319873.db2.gz RECKMUOKLLKWKZ-SECBINFHSA-N 1 2 264.304 1.994 20 10 CDCDLO COc1cc(O)c(CNc2ccc(CO)c[nH+]2)cc1OC ZINC000291580431 522782159 /nfs/dbraw/zinc/78/21/59/522782159.db2.gz OUYWEKHXOKTMEM-UHFFFAOYSA-N 1 2 290.319 1.909 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)CCc1[nH]cc[nH+]1 ZINC000279294914 523379366 /nfs/dbraw/zinc/37/93/66/523379366.db2.gz ZDBAUTKSXQHWFE-UHFFFAOYSA-N 1 2 259.309 1.707 20 10 CDCDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000771418870 575578177 /nfs/dbraw/zinc/57/81/77/575578177.db2.gz OPWWZIPUYWZTDS-RKDXNWHRSA-N 1 2 254.355 1.618 20 10 CDCDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000771418870 575578180 /nfs/dbraw/zinc/57/81/80/575578180.db2.gz OPWWZIPUYWZTDS-RKDXNWHRSA-N 1 2 254.355 1.618 20 10 CDCDLO COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH+]c(C)[nH]2)c1 ZINC000732286872 575086909 /nfs/dbraw/zinc/08/69/09/575086909.db2.gz JOVARKHKZGYOGR-MRVPVSSYSA-N 1 2 275.308 1.923 20 10 CDCDLO Fc1cc(C[NH2+]Cc2c[nH]cn2)ccc1N1CCOCC1 ZINC000894193505 618680124 /nfs/dbraw/zinc/68/01/24/618680124.db2.gz QZFSTVHCHHHLFK-UHFFFAOYSA-N 1 2 290.342 1.675 20 10 CDCDLO CNC(=O)CC[NH2+]Cc1cccc(Br)c1O ZINC000044990698 630566467 /nfs/dbraw/zinc/56/64/67/630566467.db2.gz ZBBXULKSRYODBQ-UHFFFAOYSA-N 1 2 287.157 1.380 20 10 CDCDLO OC[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC001237617196 1167395362 /nfs/dbraw/zinc/39/53/62/1167395362.db2.gz MOVCJBBACTZCSN-PRHODGIISA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC001237617196 1167395368 /nfs/dbraw/zinc/39/53/68/1167395368.db2.gz MOVCJBBACTZCSN-PRHODGIISA-N 1 2 289.734 1.360 20 10 CDCDLO C[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1O ZINC001589965876 1173215975 /nfs/dbraw/zinc/21/59/75/1173215975.db2.gz RHNOSOBPHTUEEI-UWVGGRQHSA-N 1 2 289.339 1.402 20 10 CDCDLO COC(C)(C)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591314733 1173600993 /nfs/dbraw/zinc/60/09/93/1173600993.db2.gz REAJKJSWDVRIHT-SECBINFHSA-N 1 2 291.355 1.648 20 10 CDCDLO Oc1c(CN2CC[NH+](C3CC3)CC2)ccc(F)c1F ZINC000876566916 697667804 /nfs/dbraw/zinc/66/78/04/697667804.db2.gz XBTDMUQEHNEDDI-UHFFFAOYSA-N 1 2 268.307 1.950 20 10 CDCDLO CN(C)c1ccc(Cn2cc(Cn3cc[nH+]c3)nn2)cc1 ZINC000881272170 698046778 /nfs/dbraw/zinc/04/67/78/698046778.db2.gz PDCPXAYCDRWQEU-UHFFFAOYSA-N 1 2 282.351 1.637 20 10 CDCDLO Cn1cnnc1C[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000808214667 698421836 /nfs/dbraw/zinc/42/18/36/698421836.db2.gz PQOAMBRMUQOFKV-UHFFFAOYSA-N 1 2 283.335 1.701 20 10 CDCDLO COc1cccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)c1O ZINC000845832621 698641823 /nfs/dbraw/zinc/64/18/23/698641823.db2.gz FKJXYPOPFPTCPP-NSHDSACASA-N 1 2 289.335 1.865 20 10 CDCDLO Cn1cc([C@@H](CO)[NH2+]Cc2cc(F)cc(F)c2O)cn1 ZINC000883076443 705210943 /nfs/dbraw/zinc/21/09/43/705210943.db2.gz DDFNIHCMCADVMJ-GFCCVEGCSA-N 1 2 283.278 1.227 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000862757565 850037880 /nfs/dbraw/zinc/03/78/80/850037880.db2.gz YSNSQBCEDNDIJP-UHFFFAOYSA-N 1 2 259.309 1.673 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000862757565 850037894 /nfs/dbraw/zinc/03/78/94/850037894.db2.gz YSNSQBCEDNDIJP-UHFFFAOYSA-N 1 2 259.309 1.673 20 10 CDCDLO CCOC(=O)C1C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001142525091 908859674 /nfs/dbraw/zinc/85/96/74/908859674.db2.gz XCZNYUVZEWBOQC-UHFFFAOYSA-N 1 2 271.263 1.665 20 10 CDCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC001137832654 936417490 /nfs/dbraw/zinc/41/74/90/936417490.db2.gz CJCUXKXOFCGRHR-AWEZNQCLSA-N 1 2 267.300 1.523 20 10 CDCDLO CC(C)C(=O)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137841813 936420083 /nfs/dbraw/zinc/42/00/83/936420083.db2.gz WBMRVODMTJBEBF-UHFFFAOYSA-N 1 2 280.343 1.832 20 10 CDCDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138358992 936525741 /nfs/dbraw/zinc/52/57/41/936525741.db2.gz GPELWGQDVBEPRM-ZDUSSCGKSA-N 1 2 287.407 1.732 20 10 CDCDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138358992 936525744 /nfs/dbraw/zinc/52/57/44/936525744.db2.gz GPELWGQDVBEPRM-ZDUSSCGKSA-N 1 2 287.407 1.732 20 10 CDCDLO Oc1cc(F)cc(F)c1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001140585328 936728312 /nfs/dbraw/zinc/72/83/12/936728312.db2.gz FOXKHWQADWMBPD-SNVBAGLBSA-N 1 2 254.280 1.560 20 10 CDCDLO Oc1cc(F)cc(F)c1CN1CC[N@H+]2CC[C@@H]2C1 ZINC001140585328 936728314 /nfs/dbraw/zinc/72/83/14/936728314.db2.gz FOXKHWQADWMBPD-SNVBAGLBSA-N 1 2 254.280 1.560 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(O)c(C)c2O)CCO1 ZINC001140749022 936749733 /nfs/dbraw/zinc/74/97/33/936749733.db2.gz OOGNBUYTIUFBHX-ZDUSSCGKSA-N 1 2 295.335 1.170 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)CCO1 ZINC001140749022 936749735 /nfs/dbraw/zinc/74/97/35/936749735.db2.gz OOGNBUYTIUFBHX-ZDUSSCGKSA-N 1 2 295.335 1.170 20 10 CDCDLO Oc1ccc(O)c(C[NH+]2CC(N3CCC(F)(F)C3)C2)c1 ZINC001141160175 936821998 /nfs/dbraw/zinc/82/19/98/936821998.db2.gz SEIZKPQYUCBNLD-UHFFFAOYSA-N 1 2 284.306 1.623 20 10 CDCDLO C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2O)C[C@@H]1[NH3+] ZINC001205880533 925981156 /nfs/dbraw/zinc/98/11/56/925981156.db2.gz LSPDPBXHDAQRAP-SKDRFNHKSA-N 1 2 264.325 1.260 20 10 CDCDLO C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C[C@@H]1[NH3+] ZINC001205880533 925981161 /nfs/dbraw/zinc/98/11/61/925981161.db2.gz LSPDPBXHDAQRAP-SKDRFNHKSA-N 1 2 264.325 1.260 20 10 CDCDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C1=CC(=O)CS1 ZINC000782014186 937235749 /nfs/dbraw/zinc/23/57/49/937235749.db2.gz RIAGHNHLMUNUNK-SNVBAGLBSA-N 1 2 298.408 1.371 20 10 CDCDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C1=CC(=O)CS1 ZINC000782014186 937235751 /nfs/dbraw/zinc/23/57/51/937235751.db2.gz RIAGHNHLMUNUNK-SNVBAGLBSA-N 1 2 298.408 1.371 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2Cc3cncnc3C2)c(O)c1 ZINC001144500151 931858011 /nfs/dbraw/zinc/85/80/11/931858011.db2.gz PZUAYOGEBQBQMG-UHFFFAOYSA-N 1 2 259.265 1.109 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2Cc3cncnc3C2)c(O)c1 ZINC001144500151 931858012 /nfs/dbraw/zinc/85/80/12/931858012.db2.gz PZUAYOGEBQBQMG-UHFFFAOYSA-N 1 2 259.265 1.109 20 10 CDCDLO CC[N@H+](CC(=O)OC)Cc1ccc(OC)cc1O ZINC001203635485 939698832 /nfs/dbraw/zinc/69/88/32/939698832.db2.gz XMWCSZIOYDFYJR-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO CC[N@@H+](CC(=O)OC)Cc1ccc(OC)cc1O ZINC001203635485 939698833 /nfs/dbraw/zinc/69/88/33/939698833.db2.gz XMWCSZIOYDFYJR-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO C[C@@H]1C[N@H+](C2CN(Cc3ccc(O)c(O)c3)C2)C[C@H](C)O1 ZINC001203884150 939711803 /nfs/dbraw/zinc/71/18/03/939711803.db2.gz SXNSAOSMAJDWRJ-TXEJJXNPSA-N 1 2 292.379 1.391 20 10 CDCDLO C[C@@H]1C[N@@H+](C2CN(Cc3ccc(O)c(O)c3)C2)C[C@H](C)O1 ZINC001203884150 939711804 /nfs/dbraw/zinc/71/18/04/939711804.db2.gz SXNSAOSMAJDWRJ-TXEJJXNPSA-N 1 2 292.379 1.391 20 10 CDCDLO CN(C)c1ccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cc1 ZINC001203934366 939714700 /nfs/dbraw/zinc/71/47/00/939714700.db2.gz SOWVCDRXBFNMEU-AWEZNQCLSA-N 1 2 277.387 1.981 20 10 CDCDLO CN(C)c1ccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cc1 ZINC001203934366 939714701 /nfs/dbraw/zinc/71/47/01/939714701.db2.gz SOWVCDRXBFNMEU-AWEZNQCLSA-N 1 2 277.387 1.981 20 10 CDCDLO CCOc1ccc(CN2CC3(CC[N@@H+]3C)C2)c(O)c1 ZINC001276815479 941464084 /nfs/dbraw/zinc/46/40/84/941464084.db2.gz UHWLWTHNABJSSX-UHFFFAOYSA-N 1 2 262.353 1.681 20 10 CDCDLO CCOc1ccc(CN2CC3(CC[N@H+]3C)C2)c(O)c1 ZINC001276815479 941464085 /nfs/dbraw/zinc/46/40/85/941464085.db2.gz UHWLWTHNABJSSX-UHFFFAOYSA-N 1 2 262.353 1.681 20 10 CDCDLO OCCC[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC001231909663 943052480 /nfs/dbraw/zinc/05/24/80/943052480.db2.gz HJHRRVNIRYEKQJ-UHFFFAOYSA-N 1 2 284.787 1.546 20 10 CDCDLO COC(=O)C1C[NH+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261241 943192142 /nfs/dbraw/zinc/19/21/42/943192142.db2.gz XQIWUXGYAXSKSQ-UHFFFAOYSA-N 1 2 271.700 1.356 20 10 CDCDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233454502 943588607 /nfs/dbraw/zinc/58/86/07/943588607.db2.gz WXGVYCQEMYNKFK-MRVPVSSYSA-N 1 2 288.269 1.731 20 10 CDCDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233454502 943588609 /nfs/dbraw/zinc/58/86/09/943588609.db2.gz WXGVYCQEMYNKFK-MRVPVSSYSA-N 1 2 288.269 1.731 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CC[C@](F)(CO)C2)c(Cl)c1 ZINC001236798239 944571134 /nfs/dbraw/zinc/57/11/34/944571134.db2.gz MALWWDWLIGQHAD-CYBMUJFWSA-N 1 2 289.734 1.961 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CC[C@](F)(CO)C2)c(Cl)c1 ZINC001236798239 944571138 /nfs/dbraw/zinc/57/11/38/944571138.db2.gz MALWWDWLIGQHAD-CYBMUJFWSA-N 1 2 289.734 1.961 20 10 CDCDLO C[C@@]1(O)COCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237123653 944660573 /nfs/dbraw/zinc/66/05/73/944660573.db2.gz JWHVHSYQJFIIQR-ZDUSSCGKSA-N 1 2 289.734 1.768 20 10 CDCDLO C[C@@]1(O)COCC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237123653 944660576 /nfs/dbraw/zinc/66/05/76/944660576.db2.gz JWHVHSYQJFIIQR-ZDUSSCGKSA-N 1 2 289.734 1.768 20 10 CDCDLO C[C@]1(O)COCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237807898 944960894 /nfs/dbraw/zinc/96/08/94/944960894.db2.gz NWBBXRQWMZDWEO-CYBMUJFWSA-N 1 2 289.734 1.768 20 10 CDCDLO C[C@]1(O)COCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237807898 944960899 /nfs/dbraw/zinc/96/08/99/944960899.db2.gz NWBBXRQWMZDWEO-CYBMUJFWSA-N 1 2 289.734 1.768 20 10 CDCDLO CC1(C)C=Cc2c(O)c(C[NH+]3CC(O)C3)ccc2O1 ZINC001249224445 949466253 /nfs/dbraw/zinc/46/62/53/949466253.db2.gz ZGLNHQFFJDVNRS-UHFFFAOYSA-N 1 2 261.321 1.753 20 10 CDCDLO CCNC(=O)C[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001345029131 964540438 /nfs/dbraw/zinc/54/04/38/964540438.db2.gz FKWBHHOCFQURHD-UHFFFAOYSA-N 1 2 291.395 1.343 20 10 CDCDLO NC(=O)[C@@H]1Cc2ccccc2N(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492765266 366181169 /nfs/dbraw/zinc/18/11/69/366181169.db2.gz LPKXWUUVBUZRCK-BTDICHCPSA-N 1 2 296.330 1.114 20 10 CDCDLO C[C@H](O)CNc1cc(N(C)Cc2ccccc2O)nc[nH+]1 ZINC000298523616 356888286 /nfs/dbraw/zinc/88/82/86/356888286.db2.gz BYCHSLHPEWENRR-NSHDSACASA-N 1 2 288.351 1.611 20 10 CDCDLO C[C@H](O)CNc1cc(N(C)Cc2ccccc2O)[nH+]cn1 ZINC000298523616 356888291 /nfs/dbraw/zinc/88/82/91/356888291.db2.gz BYCHSLHPEWENRR-NSHDSACASA-N 1 2 288.351 1.611 20 10 CDCDLO NC(=O)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179944355 357232662 /nfs/dbraw/zinc/23/26/62/357232662.db2.gz NPJBOCHAQPCYRC-UHFFFAOYSA-N 1 2 283.759 1.632 20 10 CDCDLO NC(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179944355 357232663 /nfs/dbraw/zinc/23/26/63/357232663.db2.gz NPJBOCHAQPCYRC-UHFFFAOYSA-N 1 2 283.759 1.632 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1cccc(Cl)c1O ZINC000180254163 357255233 /nfs/dbraw/zinc/25/52/33/357255233.db2.gz UROFBIOMNMQDJR-UHFFFAOYSA-N 1 2 287.743 1.667 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1cccc(Cl)c1O ZINC000180254163 357255237 /nfs/dbraw/zinc/25/52/37/357255237.db2.gz UROFBIOMNMQDJR-UHFFFAOYSA-N 1 2 287.743 1.667 20 10 CDCDLO CCCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)c(O)c1 ZINC000123498166 360291026 /nfs/dbraw/zinc/29/10/26/360291026.db2.gz AXJUFHKTXOEPJK-LLVKDONJSA-N 1 2 278.352 1.501 20 10 CDCDLO CCCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)c(O)c1 ZINC000123498166 360291029 /nfs/dbraw/zinc/29/10/29/360291029.db2.gz AXJUFHKTXOEPJK-LLVKDONJSA-N 1 2 278.352 1.501 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H](C(N)=O)O1 ZINC000271247946 364978219 /nfs/dbraw/zinc/97/82/19/364978219.db2.gz CWJKXSRKSXVVSN-PELKAZGASA-N 1 2 284.743 1.120 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](C(N)=O)O1 ZINC000271247946 364978224 /nfs/dbraw/zinc/97/82/24/364978224.db2.gz CWJKXSRKSXVVSN-PELKAZGASA-N 1 2 284.743 1.120 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000271709442 364994688 /nfs/dbraw/zinc/99/46/88/364994688.db2.gz GMNPNOMKWJQHHK-NSHDSACASA-N 1 2 295.335 1.547 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000271709442 364994692 /nfs/dbraw/zinc/99/46/92/364994692.db2.gz GMNPNOMKWJQHHK-NSHDSACASA-N 1 2 295.335 1.547 20 10 CDCDLO C[N@H+](Cc1ncnn1CCF)Cc1ccccc1O ZINC000281688098 367674818 /nfs/dbraw/zinc/67/48/18/367674818.db2.gz RQAASAFAFAJPTO-UHFFFAOYSA-N 1 2 264.304 1.585 20 10 CDCDLO C[N@@H+](Cc1ncnn1CCF)Cc1ccccc1O ZINC000281688098 367674825 /nfs/dbraw/zinc/67/48/25/367674825.db2.gz RQAASAFAFAJPTO-UHFFFAOYSA-N 1 2 264.304 1.585 20 10 CDCDLO COc1ccc(O)c(C[NH+]2CC(OC(=O)NC(C)C)C2)c1 ZINC000297520795 371998642 /nfs/dbraw/zinc/99/86/42/371998642.db2.gz YDSHZUXHBPHGNZ-UHFFFAOYSA-N 1 2 294.351 1.720 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589973605 1173217996 /nfs/dbraw/zinc/21/79/96/1173217996.db2.gz HVMIMSFZJXPPBV-DTWKUNHWSA-N 1 2 275.312 1.012 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000131219795 280231435 /nfs/dbraw/zinc/23/14/35/280231435.db2.gz QDAMCNHJFLLSNL-CYBMUJFWSA-N 1 2 279.359 1.602 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000131219795 280231436 /nfs/dbraw/zinc/23/14/36/280231436.db2.gz QDAMCNHJFLLSNL-CYBMUJFWSA-N 1 2 279.359 1.602 20 10 CDCDLO CSCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591700286 1173688334 /nfs/dbraw/zinc/68/83/34/1173688334.db2.gz QZNBAUBGZHYQTC-QMMMGPOBSA-N 1 2 279.369 1.586 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(F)c(F)c1O ZINC000276935606 328220384 /nfs/dbraw/zinc/22/03/84/328220384.db2.gz OXWAGERGUNSWFR-JGVFFNPUSA-N 1 2 270.279 1.552 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071124118 523145984 /nfs/dbraw/zinc/14/59/84/523145984.db2.gz WQTGXIJYBSAJFO-UHFFFAOYSA-N 1 2 278.352 1.128 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071124118 523145999 /nfs/dbraw/zinc/14/59/99/523145999.db2.gz WQTGXIJYBSAJFO-UHFFFAOYSA-N 1 2 278.352 1.128 20 10 CDCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)N(C)C ZINC000127873280 525456139 /nfs/dbraw/zinc/45/61/39/525456139.db2.gz XFGUFCCVAIILGQ-QMMMGPOBSA-N 1 2 256.733 1.612 20 10 CDCDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ncnn1C ZINC000276761566 525525749 /nfs/dbraw/zinc/52/57/49/525525749.db2.gz UVYSBOVUCPFBEO-SNVBAGLBSA-N 1 2 277.347 1.871 20 10 CDCDLO COc1cccc(C[NH2+][C@@]2(C)CCOC2=O)c1O ZINC000289912563 526033218 /nfs/dbraw/zinc/03/32/18/526033218.db2.gz UWJHAWMQMLEFHB-ZDUSSCGKSA-N 1 2 251.282 1.196 20 10 CDCDLO O=C(/C=C\c1ccc(O)c(O)c1)OCCn1cc[nH+]c1 ZINC000759597311 576409411 /nfs/dbraw/zinc/40/94/11/576409411.db2.gz QMQPAQCXEOXRTM-RQOWECAXSA-N 1 2 274.276 1.551 20 10 CDCDLO OC[C@@]1([NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC000757978234 577064885 /nfs/dbraw/zinc/06/48/85/577064885.db2.gz LIJCGQPLVOPJFA-LBPRGKRZSA-N 1 2 275.707 1.426 20 10 CDCDLO CCN1CC[N@H+](Cc2ccc(N(C)C)cc2)CC1=O ZINC000758015876 577067636 /nfs/dbraw/zinc/06/76/36/577067636.db2.gz QDAHQPKGDBUJDA-UHFFFAOYSA-N 1 2 261.369 1.417 20 10 CDCDLO CCN1CC[N@@H+](Cc2ccc(N(C)C)cc2)CC1=O ZINC000758015876 577067638 /nfs/dbraw/zinc/06/76/38/577067638.db2.gz QDAHQPKGDBUJDA-UHFFFAOYSA-N 1 2 261.369 1.417 20 10 CDCDLO CCN1CC[N@H+](Cc2cc(C)cc(OC)c2O)CC1=O ZINC000758276581 577093388 /nfs/dbraw/zinc/09/33/88/577093388.db2.gz NHYFIWZCDSVXFE-UHFFFAOYSA-N 1 2 278.352 1.373 20 10 CDCDLO CCN1CC[N@@H+](Cc2cc(C)cc(OC)c2O)CC1=O ZINC000758276581 577093389 /nfs/dbraw/zinc/09/33/89/577093389.db2.gz NHYFIWZCDSVXFE-UHFFFAOYSA-N 1 2 278.352 1.373 20 10 CDCDLO CC[N@H+](CC(=O)OC)Cc1ccc(OC)c(OC)c1O ZINC000891924236 617780372 /nfs/dbraw/zinc/78/03/72/617780372.db2.gz VEXVTDVITGRLJA-UHFFFAOYSA-N 1 2 283.324 1.404 20 10 CDCDLO CC[N@@H+](CC(=O)OC)Cc1ccc(OC)c(OC)c1O ZINC000891924236 617780382 /nfs/dbraw/zinc/78/03/82/617780382.db2.gz VEXVTDVITGRLJA-UHFFFAOYSA-N 1 2 283.324 1.404 20 10 CDCDLO COc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)c(O)c1OC ZINC000894263243 618334670 /nfs/dbraw/zinc/33/46/70/618334670.db2.gz PFHHJLHPOZRXLU-UHFFFAOYSA-N 1 2 294.351 1.120 20 10 CDCDLO COc1ccc(C[N@H+]2CC(=O)NCC2(C)C)c(O)c1OC ZINC000894263243 618334676 /nfs/dbraw/zinc/33/46/76/618334676.db2.gz PFHHJLHPOZRXLU-UHFFFAOYSA-N 1 2 294.351 1.120 20 10 CDCDLO CC[C@H]([NH3+])CNCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841071701 618681743 /nfs/dbraw/zinc/68/17/43/618681743.db2.gz IXBIPKCNHROFRJ-VIFPVBQESA-N 1 2 269.301 1.136 20 10 CDCDLO O=C([O-])[C@H]1C[NH2+]CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC001601852332 1175036501 /nfs/dbraw/zinc/03/65/01/1175036501.db2.gz FHTUAYMUVJKRBO-LLVKDONJSA-N 1 2 284.743 1.294 20 10 CDCDLO O=C([O-])[C@H]1C[NH2+]CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC001601852332 1175036508 /nfs/dbraw/zinc/03/65/08/1175036508.db2.gz FHTUAYMUVJKRBO-LLVKDONJSA-N 1 2 284.743 1.294 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817976894 705689244 /nfs/dbraw/zinc/68/92/44/705689244.db2.gz WNOZAMKKJMDJIV-UTLUCORTSA-N 1 2 283.303 1.651 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000228301340 706241300 /nfs/dbraw/zinc/24/13/00/706241300.db2.gz PVVMVUQLJHNTLO-CYBMUJFWSA-N 1 2 294.326 1.444 20 10 CDCDLO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2nnn(C)n2)c1O ZINC000808716917 709949960 /nfs/dbraw/zinc/94/99/60/709949960.db2.gz ZILNKMUODUCTKF-QMMMGPOBSA-N 1 2 281.747 1.728 20 10 CDCDLO COCC1(O)C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000839142959 711396834 /nfs/dbraw/zinc/39/68/34/711396834.db2.gz MAOKVFWDQBLPAI-UHFFFAOYSA-N 1 2 257.717 1.239 20 10 CDCDLO C[C@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000091814873 711490763 /nfs/dbraw/zinc/49/07/63/711490763.db2.gz HBWRCZHOTPDBCM-ZDUSSCGKSA-N 1 2 294.370 1.883 20 10 CDCDLO C[C@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000091814873 711490765 /nfs/dbraw/zinc/49/07/65/711490765.db2.gz HBWRCZHOTPDBCM-ZDUSSCGKSA-N 1 2 294.370 1.883 20 10 CDCDLO COc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)c(O)c1 ZINC000807453728 711520349 /nfs/dbraw/zinc/52/03/49/711520349.db2.gz FLWYTBSLNXGSHD-UHFFFAOYSA-N 1 2 275.308 1.373 20 10 CDCDLO C[C@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@@H+]1CC(C)(C)O ZINC000782077790 711619740 /nfs/dbraw/zinc/61/97/40/711619740.db2.gz FRKFRHJYJQFSGT-JTQLQIEISA-N 1 2 298.408 1.371 20 10 CDCDLO C[C@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@H+]1CC(C)(C)O ZINC000782077790 711619742 /nfs/dbraw/zinc/61/97/42/711619742.db2.gz FRKFRHJYJQFSGT-JTQLQIEISA-N 1 2 298.408 1.371 20 10 CDCDLO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@@H+]1CC(C)(C)O ZINC000782077791 711776571 /nfs/dbraw/zinc/77/65/71/711776571.db2.gz FRKFRHJYJQFSGT-SNVBAGLBSA-N 1 2 298.408 1.371 20 10 CDCDLO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@H+]1CC(C)(C)O ZINC000782077791 711776572 /nfs/dbraw/zinc/77/65/72/711776572.db2.gz FRKFRHJYJQFSGT-SNVBAGLBSA-N 1 2 298.408 1.371 20 10 CDCDLO C[C@@]1(O)CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1F ZINC001233483462 912823603 /nfs/dbraw/zinc/82/36/03/912823603.db2.gz ZWZYNHNTRRQWFW-QWHCGFSZSA-N 1 2 271.288 1.098 20 10 CDCDLO C[C@@]1(O)CC[N@@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1F ZINC001233483462 912823615 /nfs/dbraw/zinc/82/36/15/912823615.db2.gz ZWZYNHNTRRQWFW-QWHCGFSZSA-N 1 2 271.288 1.098 20 10 CDCDLO [NH3+][C@]12CC[C@H]1CN(Cc1c(O)cc(F)cc1F)C2 ZINC001235987115 914489703 /nfs/dbraw/zinc/48/97/03/914489703.db2.gz FOBDSRQPHSIBHO-SDBXPKJASA-N 1 2 254.280 1.594 20 10 CDCDLO Cc1nc2c(o1)CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204283107 916686960 /nfs/dbraw/zinc/68/69/60/916686960.db2.gz ZDNMNJCFKDMDPQ-UHFFFAOYSA-N 1 2 260.293 1.953 20 10 CDCDLO Cc1nc2c(o1)CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204283107 916686965 /nfs/dbraw/zinc/68/69/65/916686965.db2.gz ZDNMNJCFKDMDPQ-UHFFFAOYSA-N 1 2 260.293 1.953 20 10 CDCDLO OC[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C[C@@H]1O ZINC001237120099 917322869 /nfs/dbraw/zinc/32/28/69/917322869.db2.gz JALCZFBSQPJVDU-UFBFGSQYSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C[C@@H]1O ZINC001237120099 917322880 /nfs/dbraw/zinc/32/28/80/917322880.db2.gz JALCZFBSQPJVDU-UFBFGSQYSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2cccc(F)c2O)C1 ZINC001138122402 936473693 /nfs/dbraw/zinc/47/36/93/936473693.db2.gz BZPZKBSQEUHYEP-GXSJLCMTSA-N 1 2 257.280 1.684 20 10 CDCDLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138122402 936473695 /nfs/dbraw/zinc/47/36/95/936473695.db2.gz BZPZKBSQEUHYEP-GXSJLCMTSA-N 1 2 257.280 1.684 20 10 CDCDLO C[N@@H+]1CC[C@H]2CN(Cc3c(F)ccc(F)c3O)C[C@H]21 ZINC001139686298 936635596 /nfs/dbraw/zinc/63/55/96/936635596.db2.gz SRKSDBHTADUJST-TVQRCGJNSA-N 1 2 268.307 1.806 20 10 CDCDLO C[N@H+]1CC[C@H]2CN(Cc3c(F)ccc(F)c3O)C[C@H]21 ZINC001139686298 936635598 /nfs/dbraw/zinc/63/55/98/936635598.db2.gz SRKSDBHTADUJST-TVQRCGJNSA-N 1 2 268.307 1.806 20 10 CDCDLO CN1CCC[N@H+](Cc2ccc(Cl)cc2O)CC1=O ZINC001140466396 936712294 /nfs/dbraw/zinc/71/22/94/936712294.db2.gz FFWSVJQQWXXBPW-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO CN1CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1=O ZINC001140466396 936712296 /nfs/dbraw/zinc/71/22/96/936712296.db2.gz FFWSVJQQWXXBPW-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO COC(=O)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461728 936712370 /nfs/dbraw/zinc/71/23/70/936712370.db2.gz SDBKFJQSVVUAHD-UHFFFAOYSA-N 1 2 284.743 1.930 20 10 CDCDLO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(Cl)cc1O ZINC001140464443 936712731 /nfs/dbraw/zinc/71/27/31/936712731.db2.gz QBDQSUQJJLMKGL-RYUDHWBXSA-N 1 2 252.745 1.934 20 10 CDCDLO CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(Cl)cc1O ZINC001140464443 936712733 /nfs/dbraw/zinc/71/27/33/936712733.db2.gz QBDQSUQJJLMKGL-RYUDHWBXSA-N 1 2 252.745 1.934 20 10 CDCDLO C[N@H+](C1CN(Cc2c(O)cc(F)cc2F)C1)[C@H]1CCOC1 ZINC001140583306 936727779 /nfs/dbraw/zinc/72/77/79/936727779.db2.gz DLGLRSYVQAHBRM-NSHDSACASA-N 1 2 298.333 1.575 20 10 CDCDLO C[N@@H+](C1CN(Cc2c(O)cc(F)cc2F)C1)[C@H]1CCOC1 ZINC001140583306 936727780 /nfs/dbraw/zinc/72/77/80/936727780.db2.gz DLGLRSYVQAHBRM-NSHDSACASA-N 1 2 298.333 1.575 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C)c(OC)c1 ZINC001141031502 936795465 /nfs/dbraw/zinc/79/54/65/936795465.db2.gz HEECIVAKNNHLLE-JTQLQIEISA-N 1 2 267.325 1.630 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCOC[C@@H]2C)c(OC)c1 ZINC001141031502 936795466 /nfs/dbraw/zinc/79/54/66/936795466.db2.gz HEECIVAKNNHLLE-JTQLQIEISA-N 1 2 267.325 1.630 20 10 CDCDLO Oc1cccc(F)c1C[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001137839136 923049056 /nfs/dbraw/zinc/04/90/56/923049056.db2.gz STWBIMRSTBRXQG-JTQLQIEISA-N 1 2 268.307 1.759 20 10 CDCDLO [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000708479971 923178524 /nfs/dbraw/zinc/17/85/24/923178524.db2.gz CFYYTTUIAWVNMC-AOOOYVTPSA-N 1 2 254.280 1.322 20 10 CDCDLO [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000708479971 923178535 /nfs/dbraw/zinc/17/85/35/923178535.db2.gz CFYYTTUIAWVNMC-AOOOYVTPSA-N 1 2 254.280 1.322 20 10 CDCDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160939 936823322 /nfs/dbraw/zinc/82/33/22/936823322.db2.gz KDEMFNPFGJPSKO-GFCCVEGCSA-N 1 2 285.365 1.107 20 10 CDCDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141160939 936823325 /nfs/dbraw/zinc/82/33/25/936823325.db2.gz KDEMFNPFGJPSKO-GFCCVEGCSA-N 1 2 285.365 1.107 20 10 CDCDLO O=C1CC[C@@H]2C[N@H+](Cc3cccc(F)c3O)CCN12 ZINC000160252938 925100246 /nfs/dbraw/zinc/10/02/46/925100246.db2.gz AWODZBZLZBSLEE-LLVKDONJSA-N 1 2 264.300 1.338 20 10 CDCDLO O=C1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3O)CCN12 ZINC000160252938 925100253 /nfs/dbraw/zinc/10/02/53/925100253.db2.gz AWODZBZLZBSLEE-LLVKDONJSA-N 1 2 264.300 1.338 20 10 CDCDLO O=C(N1CC[NH+](Cc2ccccc2O)CC1)C(F)(F)F ZINC001203550549 939692980 /nfs/dbraw/zinc/69/29/80/939692980.db2.gz YWMFWEVZQNFCDN-UHFFFAOYSA-N 1 2 288.269 1.599 20 10 CDCDLO COc1cccc(C[N@@H+]2CCN(C(C)(C)C)C(=O)C2)c1O ZINC001203596812 939695440 /nfs/dbraw/zinc/69/54/40/939695440.db2.gz NIZFYRHGXOTBHQ-UHFFFAOYSA-N 1 2 292.379 1.844 20 10 CDCDLO COc1cccc(C[N@H+]2CCN(C(C)(C)C)C(=O)C2)c1O ZINC001203596812 939695441 /nfs/dbraw/zinc/69/54/41/939695441.db2.gz NIZFYRHGXOTBHQ-UHFFFAOYSA-N 1 2 292.379 1.844 20 10 CDCDLO O=C1C[N@H+](Cc2ccc(O)cc2O)CCN1C1CCCC1 ZINC001204274459 939750450 /nfs/dbraw/zinc/75/04/50/939750450.db2.gz BKWGAYPPQCQMGO-UHFFFAOYSA-N 1 2 290.363 1.685 20 10 CDCDLO O=C1C[N@@H+](Cc2ccc(O)cc2O)CCN1C1CCCC1 ZINC001204274459 939750453 /nfs/dbraw/zinc/75/04/53/939750453.db2.gz BKWGAYPPQCQMGO-UHFFFAOYSA-N 1 2 290.363 1.685 20 10 CDCDLO CCN1CC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001204321622 939755172 /nfs/dbraw/zinc/75/51/72/939755172.db2.gz JJLQMKHLQJQLOW-UHFFFAOYSA-N 1 2 287.407 1.951 20 10 CDCDLO CCN1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001204321622 939755178 /nfs/dbraw/zinc/75/51/78/939755178.db2.gz JJLQMKHLQJQLOW-UHFFFAOYSA-N 1 2 287.407 1.951 20 10 CDCDLO C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565970 942930202 /nfs/dbraw/zinc/93/02/02/942930202.db2.gz FYFCJWGWLZACDP-TZMCWYRMSA-N 1 2 290.363 1.616 20 10 CDCDLO C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565970 942930205 /nfs/dbraw/zinc/93/02/05/942930205.db2.gz FYFCJWGWLZACDP-TZMCWYRMSA-N 1 2 290.363 1.616 20 10 CDCDLO C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565970 942930208 /nfs/dbraw/zinc/93/02/08/942930208.db2.gz FYFCJWGWLZACDP-TZMCWYRMSA-N 1 2 290.363 1.616 20 10 CDCDLO C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565970 942930211 /nfs/dbraw/zinc/93/02/11/942930211.db2.gz FYFCJWGWLZACDP-TZMCWYRMSA-N 1 2 290.363 1.616 20 10 CDCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(C(C)=O)CC1 ZINC001231852617 943031680 /nfs/dbraw/zinc/03/16/80/943031680.db2.gz YHRNWDJZVZJOBC-UHFFFAOYSA-N 1 2 291.395 1.425 20 10 CDCDLO Cc1cc(O)c(C[NH+]2CC(N(C)C3COC3)C2)cc1Cl ZINC001231870458 943036399 /nfs/dbraw/zinc/03/63/99/943036399.db2.gz CCJPMVKPODYBRB-UHFFFAOYSA-N 1 2 296.798 1.869 20 10 CDCDLO C[C@@]1(CO)CC[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC001231910979 943051580 /nfs/dbraw/zinc/05/15/80/943051580.db2.gz XNHNRNCAOVGOAH-JSGCOSHPSA-N 1 2 285.771 1.611 20 10 CDCDLO C[C@@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC001231910979 943051589 /nfs/dbraw/zinc/05/15/89/943051589.db2.gz XNHNRNCAOVGOAH-JSGCOSHPSA-N 1 2 285.771 1.611 20 10 CDCDLO O=C1OC[C@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)CCN12 ZINC001232269121 943197576 /nfs/dbraw/zinc/19/75/76/943197576.db2.gz WHBSSODBFYJRCC-SECBINFHSA-N 1 2 298.726 1.388 20 10 CDCDLO O=C1OC[C@H]2C[N@@H+](Cc3cc(Cl)c(O)cc3O)CCN12 ZINC001232269121 943197579 /nfs/dbraw/zinc/19/75/79/943197579.db2.gz WHBSSODBFYJRCC-SECBINFHSA-N 1 2 298.726 1.388 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CCC1(F)F ZINC001233010159 943460854 /nfs/dbraw/zinc/46/08/54/943460854.db2.gz MBVGZAQZPAEAHD-VIFPVBQESA-N 1 2 289.278 1.253 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)CCC1(F)F ZINC001233010159 943460862 /nfs/dbraw/zinc/46/08/62/943460862.db2.gz MBVGZAQZPAEAHD-VIFPVBQESA-N 1 2 289.278 1.253 20 10 CDCDLO CNC(=O)NC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233336740 943549250 /nfs/dbraw/zinc/54/92/50/943549250.db2.gz XPHYJNBMRBDGKZ-UHFFFAOYSA-N 1 2 299.321 1.564 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1cccc(OC(F)(F)F)c1O ZINC001233768240 943653878 /nfs/dbraw/zinc/65/38/78/943653878.db2.gz NNWVLEPODGGQCF-UHFFFAOYSA-N 1 2 293.241 1.896 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1O ZINC001233768240 943653880 /nfs/dbraw/zinc/65/38/80/943653880.db2.gz NNWVLEPODGGQCF-UHFFFAOYSA-N 1 2 293.241 1.896 20 10 CDCDLO C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C[C@@H]1CCC[NH2+]1 ZINC001236120642 944409611 /nfs/dbraw/zinc/40/96/11/944409611.db2.gz UQRGXODNHUDKSG-LBPRGKRZSA-N 1 2 264.325 1.274 20 10 CDCDLO C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C[C@@H]1CCC[NH2+]1 ZINC001236120642 944409613 /nfs/dbraw/zinc/40/96/13/944409613.db2.gz UQRGXODNHUDKSG-LBPRGKRZSA-N 1 2 264.325 1.274 20 10 CDCDLO Cc1cc(N2CCOCC2)[nH+]cc1-c1ccn(C)c(=O)c1 ZINC001240986967 946128941 /nfs/dbraw/zinc/12/89/41/946128941.db2.gz ZYVFNIYXZMJNHC-UHFFFAOYSA-N 1 2 285.347 1.592 20 10 CDCDLO CN(C)C(=O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001308256210 956502702 /nfs/dbraw/zinc/50/27/02/956502702.db2.gz HHERSWHIWVUHBL-UHFFFAOYSA-N 1 2 260.696 1.363 20 10 CDCDLO Cc1cn(C(C)(C)C(=O)NCc2cccc(O)c2O)c[nH+]1 ZINC001352672695 967414893 /nfs/dbraw/zinc/41/48/93/967414893.db2.gz WZHPJYRKBIHLHD-UHFFFAOYSA-N 1 2 289.335 1.654 20 10 CDCDLO O=C(NCc1cccc(O)c1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001520508747 970194408 /nfs/dbraw/zinc/19/44/08/970194408.db2.gz LBNZKSZVVKTJRL-LLVKDONJSA-N 1 2 287.319 1.173 20 10 CDCDLO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(F)c(F)c1O ZINC000294522046 199072137 /nfs/dbraw/zinc/07/21/37/199072137.db2.gz ZHQQZJIXDFANPW-AEJSXWLSSA-N 1 2 287.306 1.861 20 10 CDCDLO CCCNC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191186181 283371779 /nfs/dbraw/zinc/37/17/79/283371779.db2.gz DOWKDIXBSBBSAN-MRVPVSSYSA-N 1 2 272.295 1.847 20 10 CDCDLO C[N@H+](Cc1nnnn1C1CC1)Cc1ccccc1O ZINC000109772319 390648531 /nfs/dbraw/zinc/64/85/31/390648531.db2.gz IZSWMVOJLZEVDS-UHFFFAOYSA-N 1 2 259.313 1.346 20 10 CDCDLO C[N@@H+](Cc1nnnn1C1CC1)Cc1ccccc1O ZINC000109772319 390648535 /nfs/dbraw/zinc/64/85/35/390648535.db2.gz IZSWMVOJLZEVDS-UHFFFAOYSA-N 1 2 259.313 1.346 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+](C)CC(=O)OC)c1 ZINC000179396586 261784271 /nfs/dbraw/zinc/78/42/71/261784271.db2.gz PTLWSOSJCDEWBU-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+](C)CC(=O)OC)c1 ZINC000179396586 261784272 /nfs/dbraw/zinc/78/42/72/261784272.db2.gz PTLWSOSJCDEWBU-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000236764411 519853028 /nfs/dbraw/zinc/85/30/28/519853028.db2.gz DVLVAIFMQGHLPS-OAHLLOKOSA-N 1 2 275.396 1.802 20 10 CDCDLO CCC[N@H+]1CCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000236764411 519853030 /nfs/dbraw/zinc/85/30/30/519853030.db2.gz DVLVAIFMQGHLPS-OAHLLOKOSA-N 1 2 275.396 1.802 20 10 CDCDLO CCOc1ccc(O)c(C[NH2+][C@H](C(=O)OC)C2CC2)c1 ZINC000276498881 521153886 /nfs/dbraw/zinc/15/38/86/521153886.db2.gz RKWSKCFBGUTHHT-AWEZNQCLSA-N 1 2 279.336 1.832 20 10 CDCDLO COc1ccc(N2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000248149947 524430068 /nfs/dbraw/zinc/43/00/68/524430068.db2.gz SZHPEEUSWXEDHP-UHFFFAOYSA-N 1 2 286.379 1.751 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC000248149947 524430072 /nfs/dbraw/zinc/43/00/72/524430072.db2.gz SZHPEEUSWXEDHP-UHFFFAOYSA-N 1 2 286.379 1.751 20 10 CDCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000158028934 526327631 /nfs/dbraw/zinc/32/76/31/526327631.db2.gz TZMNXZJXBRXODI-ZDUSSCGKSA-N 1 2 296.798 1.952 20 10 CDCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000158028934 526327640 /nfs/dbraw/zinc/32/76/40/526327640.db2.gz TZMNXZJXBRXODI-ZDUSSCGKSA-N 1 2 296.798 1.952 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(F)cc1O ZINC000769985005 575406461 /nfs/dbraw/zinc/40/64/61/575406461.db2.gz FWHOLXZKZDQJDT-SECBINFHSA-N 1 2 291.330 1.779 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)OC)cc1 ZINC000773758741 575838031 /nfs/dbraw/zinc/83/80/31/575838031.db2.gz XSSIPQJPDSKTHQ-CABCVRRESA-N 1 2 292.379 1.251 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(=O)OC)cc1 ZINC000773758741 575838032 /nfs/dbraw/zinc/83/80/32/575838032.db2.gz XSSIPQJPDSKTHQ-CABCVRRESA-N 1 2 292.379 1.251 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)cc1 ZINC000773852160 575841508 /nfs/dbraw/zinc/84/15/08/575841508.db2.gz XMXYFGZZAGXDBH-CYBMUJFWSA-N 1 2 275.396 1.805 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)cc1 ZINC000773852160 575841509 /nfs/dbraw/zinc/84/15/09/575841509.db2.gz XMXYFGZZAGXDBH-CYBMUJFWSA-N 1 2 275.396 1.805 20 10 CDCDLO O=C(NCCCCn1cc[nH+]c1)NCc1ccccc1O ZINC000748460246 576913559 /nfs/dbraw/zinc/91/35/59/576913559.db2.gz MJJCTXRMAGMCFP-UHFFFAOYSA-N 1 2 288.351 1.868 20 10 CDCDLO C[C@@H]([NH2+]Cc1nncn1C)c1cc([N+](=O)[O-])ccc1O ZINC000756403107 576989205 /nfs/dbraw/zinc/98/92/05/576989205.db2.gz WRDXFGUHMGCFOI-MRVPVSSYSA-N 1 2 277.284 1.280 20 10 CDCDLO C[C@H]1CN(Cc2cc(F)cc(F)c2O)CC[N@@H+]1CCO ZINC000894503029 618924481 /nfs/dbraw/zinc/92/44/81/618924481.db2.gz FYBWPPNFUBDWFW-JTQLQIEISA-N 1 2 286.322 1.169 20 10 CDCDLO C[C@H]1CN(Cc2cc(F)cc(F)c2O)CC[N@H+]1CCO ZINC000894503029 618924482 /nfs/dbraw/zinc/92/44/82/618924482.db2.gz FYBWPPNFUBDWFW-JTQLQIEISA-N 1 2 286.322 1.169 20 10 CDCDLO C[C@@H]([NH2+]CC1(C)COC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589976456 1173218319 /nfs/dbraw/zinc/21/83/19/1173218319.db2.gz FUZXRINAXKWHRO-SECBINFHSA-N 1 2 289.339 1.259 20 10 CDCDLO CC[C@@H](O)C[NH2+][C@@H](CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590465913 1173419751 /nfs/dbraw/zinc/41/97/51/1173419751.db2.gz HTUBPHMDKKDHON-SKDRFNHKSA-N 1 2 291.355 1.384 20 10 CDCDLO O=C(C1=CC(=O)CS1)N1CCC([NH+]2CCOCC2)CC1 ZINC000862214217 711914321 /nfs/dbraw/zinc/91/43/21/711914321.db2.gz KFOYLSRQTAKBFL-UHFFFAOYSA-N 1 2 296.392 1.391 20 10 CDCDLO C[C@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715714642 711915241 /nfs/dbraw/zinc/91/52/41/711915241.db2.gz WTNKMKZIUXJSRR-LURJTMIESA-N 1 2 278.121 1.764 20 10 CDCDLO OC[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H]1CCCOC1 ZINC000840964636 712405996 /nfs/dbraw/zinc/40/59/96/712405996.db2.gz ZLOMOSVIHLIYSI-DGCLKSJQSA-N 1 2 285.771 1.923 20 10 CDCDLO COc1ccc(O)c([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000806791672 712475380 /nfs/dbraw/zinc/47/53/80/712475380.db2.gz GPMRLIPIRLLODY-SNVBAGLBSA-N 1 2 289.335 1.934 20 10 CDCDLO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2nncn2C)c1 ZINC000808215326 712677179 /nfs/dbraw/zinc/67/71/79/712677179.db2.gz OOGKZPSONXREBX-UHFFFAOYSA-N 1 2 260.341 1.770 20 10 CDCDLO Cc1cc(C)c(O)c(C[N@H+](C)Cc2nncn2C)c1 ZINC000808215326 712677180 /nfs/dbraw/zinc/67/71/80/712677180.db2.gz OOGKZPSONXREBX-UHFFFAOYSA-N 1 2 260.341 1.770 20 10 CDCDLO Nc1cc(CC(=O)NCc2ccccc2O)cc[nH+]1 ZINC001181265080 916951984 /nfs/dbraw/zinc/95/19/84/916951984.db2.gz OOSJTUFXVGSYGE-UHFFFAOYSA-N 1 2 257.293 1.228 20 10 CDCDLO C[NH+](C)C[C@@H]1COCCN1Cc1c(F)ccc(F)c1O ZINC001139685211 936635890 /nfs/dbraw/zinc/63/58/90/936635890.db2.gz AZXTVWIYCVZVAP-SNVBAGLBSA-N 1 2 286.322 1.433 20 10 CDCDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582996 936727215 /nfs/dbraw/zinc/72/72/15/936727215.db2.gz SLZHGTDBDGFOSL-MRVPVSSYSA-N 1 2 271.263 1.665 20 10 CDCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582996 936727217 /nfs/dbraw/zinc/72/72/17/936727217.db2.gz SLZHGTDBDGFOSL-MRVPVSSYSA-N 1 2 271.263 1.665 20 10 CDCDLO CN(C)c1cc(F)c(C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1F ZINC000862247629 929394552 /nfs/dbraw/zinc/39/45/52/929394552.db2.gz KGFYIVUUDFGGAE-CYBMUJFWSA-N 1 2 297.349 1.693 20 10 CDCDLO CN(C)c1cc(F)c(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cc1F ZINC000862247629 929394566 /nfs/dbraw/zinc/39/45/66/929394566.db2.gz KGFYIVUUDFGGAE-CYBMUJFWSA-N 1 2 297.349 1.693 20 10 CDCDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1CN(C)CCO1 ZINC000883051689 930133473 /nfs/dbraw/zinc/13/34/73/930133473.db2.gz KMIRWPJCKWDMFM-RNCFNFMXSA-N 1 2 286.322 1.479 20 10 CDCDLO O=C1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CN1CC1CC1 ZINC000883402246 930194255 /nfs/dbraw/zinc/19/42/55/930194255.db2.gz LZWQXSNJNTUFIG-GFCCVEGCSA-N 1 2 296.317 1.771 20 10 CDCDLO NC(=O)c1cc(C[NH2+]Cc2cc(Cl)c(F)cc2O)on1 ZINC000816568744 930316935 /nfs/dbraw/zinc/31/69/35/930316935.db2.gz PGHOIOMXKKSMDR-UHFFFAOYSA-N 1 2 299.689 1.561 20 10 CDCDLO CN(C)c1ccc(CN2CCC(F)(F)[C@H]([NH3+])C2)cc1 ZINC001206656940 937657219 /nfs/dbraw/zinc/65/72/19/937657219.db2.gz NJYZZDJYMKUQJY-CYBMUJFWSA-N 1 2 269.339 1.921 20 10 CDCDLO C[C@@H]1CC[C@H](CN)[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829992 939942361 /nfs/dbraw/zinc/94/23/61/939942361.db2.gz QLFGAQCTYPFWAY-NXEZZACHSA-N 1 2 266.341 1.363 20 10 CDCDLO C[C@@H]1CC[C@H](CN)[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829992 939942363 /nfs/dbraw/zinc/94/23/63/939942363.db2.gz QLFGAQCTYPFWAY-NXEZZACHSA-N 1 2 266.341 1.363 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCCO1 ZINC001231914864 943054469 /nfs/dbraw/zinc/05/44/69/943054469.db2.gz SVMGFKKSCBANOM-GFCCVEGCSA-N 1 2 299.754 1.810 20 10 CDCDLO C[NH+](C)C[C@@H]1COCCN1Cc1ccc(F)c(F)c1O ZINC001233078415 943487192 /nfs/dbraw/zinc/48/71/92/943487192.db2.gz VNFWXPXLHPATJS-LLVKDONJSA-N 1 2 286.322 1.433 20 10 CDCDLO COC(=O)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000387269484 944108584 /nfs/dbraw/zinc/10/85/84/944108584.db2.gz DDPWVUKRGHVVGC-UHFFFAOYSA-N 1 2 268.288 1.415 20 10 CDCDLO C[C@@H]1CN(Cc2c(F)ccc(F)c2O)C[C@H](C)[NH2+]1 ZINC001236575898 944510627 /nfs/dbraw/zinc/51/06/27/944510627.db2.gz BNHHUNGHVBPLAL-DTORHVGOSA-N 1 2 256.296 1.853 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237677672 944921589 /nfs/dbraw/zinc/92/15/89/944921589.db2.gz GXHKAOSJXINXPT-SECBINFHSA-N 1 2 283.324 1.403 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237677672 944921591 /nfs/dbraw/zinc/92/15/91/944921591.db2.gz GXHKAOSJXINXPT-SECBINFHSA-N 1 2 283.324 1.403 20 10 CDCDLO Cc1cc(Cl)cc(C[N@@H+]2CCCNC(=O)C2)c1O ZINC001237681208 944923824 /nfs/dbraw/zinc/92/38/24/944923824.db2.gz LNLPHDMCXVVDLO-UHFFFAOYSA-N 1 2 268.744 1.676 20 10 CDCDLO Cc1cc(Cl)cc(C[N@H+]2CCCNC(=O)C2)c1O ZINC001237681208 944923827 /nfs/dbraw/zinc/92/38/27/944923827.db2.gz LNLPHDMCXVVDLO-UHFFFAOYSA-N 1 2 268.744 1.676 20 10 CDCDLO O=C1CC[N@H+](Cc2cc(F)c(Cl)cc2O)CCN1 ZINC001237946886 945009749 /nfs/dbraw/zinc/00/97/49/945009749.db2.gz NVOGLOHTJTZPLA-UHFFFAOYSA-N 1 2 272.707 1.507 20 10 CDCDLO O=C1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)CCN1 ZINC001237946886 945009759 /nfs/dbraw/zinc/00/97/59/945009759.db2.gz NVOGLOHTJTZPLA-UHFFFAOYSA-N 1 2 272.707 1.507 20 10 CDCDLO Cc1cc(F)cc(C[N@H+]2CC(=O)N3CCC[C@H]3C2)c1O ZINC001238071747 945050331 /nfs/dbraw/zinc/05/03/31/945050331.db2.gz ZOAUUXZHJQGSEN-ZDUSSCGKSA-N 1 2 278.327 1.646 20 10 CDCDLO Cc1cc(F)cc(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)c1O ZINC001238071747 945050343 /nfs/dbraw/zinc/05/03/43/945050343.db2.gz ZOAUUXZHJQGSEN-ZDUSSCGKSA-N 1 2 278.327 1.646 20 10 CDCDLO C[N@H+](Cc1cnon1)Cc1ccc(N2CCOCC2)cc1 ZINC001330545327 956472281 /nfs/dbraw/zinc/47/22/81/956472281.db2.gz SKKQAYBDXCSQTO-UHFFFAOYSA-N 1 2 288.351 1.538 20 10 CDCDLO C[N@@H+](Cc1cnon1)Cc1ccc(N2CCOCC2)cc1 ZINC001330545327 956472291 /nfs/dbraw/zinc/47/22/91/956472291.db2.gz SKKQAYBDXCSQTO-UHFFFAOYSA-N 1 2 288.351 1.538 20 10 CDCDLO Nc1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001336880623 960697316 /nfs/dbraw/zinc/69/73/16/960697316.db2.gz WTLXVKRUIBHAFC-ZDUSSCGKSA-N 1 2 285.351 1.280 20 10 CDCDLO C[C@@H](C(=O)NCCc1ccc(N)cc1)n1cc[nH+]c1 ZINC001346089302 964917631 /nfs/dbraw/zinc/91/76/31/964917631.db2.gz OPQMUWABZIADBE-NSHDSACASA-N 1 2 258.325 1.385 20 10 CDCDLO NC(=O)CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000492903216 366185222 /nfs/dbraw/zinc/18/52/22/366185222.db2.gz SRNQDYIZEJRWHW-SREVYHEPSA-N 1 2 284.319 1.332 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179904053 357230221 /nfs/dbraw/zinc/23/02/21/357230221.db2.gz HWIHCASRTKNHOJ-NSHDSACASA-N 1 2 253.273 1.669 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000179904053 357230222 /nfs/dbraw/zinc/23/02/22/357230222.db2.gz HWIHCASRTKNHOJ-NSHDSACASA-N 1 2 253.273 1.669 20 10 CDCDLO CCCOc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)c(O)c1 ZINC000294943995 199263402 /nfs/dbraw/zinc/26/34/02/199263402.db2.gz HDHYQNFUNBNJHE-LLVKDONJSA-N 1 2 278.352 1.501 20 10 CDCDLO CCCOc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(O)c1 ZINC000294943995 199263404 /nfs/dbraw/zinc/26/34/04/199263404.db2.gz HDHYQNFUNBNJHE-LLVKDONJSA-N 1 2 278.352 1.501 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1O ZINC000123446909 360287824 /nfs/dbraw/zinc/28/78/24/360287824.db2.gz GUPLHTZOLDBIDM-JTQLQIEISA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCNC(=O)[C@@H]2C)c1O ZINC000123446909 360287827 /nfs/dbraw/zinc/28/78/27/360287827.db2.gz GUPLHTZOLDBIDM-JTQLQIEISA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1cccc(C[N@H+](CC(=O)OC)C2CC2)c1O ZINC000271267741 364979871 /nfs/dbraw/zinc/97/98/71/364979871.db2.gz MJDVLKQFFGQPMV-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO CCOc1cccc(C[N@@H+](CC(=O)OC)C2CC2)c1O ZINC000271267741 364979874 /nfs/dbraw/zinc/97/98/74/364979874.db2.gz MJDVLKQFFGQPMV-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](CO)C2)c1O ZINC000271694939 364993909 /nfs/dbraw/zinc/99/39/09/364993909.db2.gz ALZZKPPVNYFLBM-LBPRGKRZSA-N 1 2 271.744 1.547 20 10 CDCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](CO)C2)c1O ZINC000271694939 364993913 /nfs/dbraw/zinc/99/39/13/364993913.db2.gz ALZZKPPVNYFLBM-LBPRGKRZSA-N 1 2 271.744 1.547 20 10 CDCDLO CC(C)C(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000272238964 365146212 /nfs/dbraw/zinc/14/62/12/365146212.db2.gz GAUKIXDVOIVLMU-UHFFFAOYSA-N 1 2 280.343 1.832 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc([N+](=O)[O-])ccc1O ZINC000282862924 368076080 /nfs/dbraw/zinc/07/60/80/368076080.db2.gz UUQFQUXTZLIHBW-BDAKNGLRSA-N 1 2 299.302 1.425 20 10 CDCDLO COCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000283876235 368413491 /nfs/dbraw/zinc/41/34/91/368413491.db2.gz GWRFZAIHBPANSR-UHFFFAOYSA-N 1 2 266.297 1.959 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cc([N+](=O)[O-])ccc1O ZINC000276572008 296152463 /nfs/dbraw/zinc/15/24/63/296152463.db2.gz HGXJXWQHLMQQEX-BDAKNGLRSA-N 1 2 291.311 1.841 20 10 CDCDLO CN(Cc1ccccc1O)c1[nH+]cnc2c1cnn2C ZINC000131406400 264371113 /nfs/dbraw/zinc/37/11/13/264371113.db2.gz HYWJUQDBWQHQCE-UHFFFAOYSA-N 1 2 269.308 1.705 20 10 CDCDLO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(-c2nn[nH]n2)c1O ZINC001589974060 1173219426 /nfs/dbraw/zinc/21/94/26/1173219426.db2.gz ONEKHXUHPXSNHV-IUCAKERBSA-N 1 2 291.355 1.382 20 10 CDCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CCn2c[nH+]cc2C1 ZINC000368211698 267151967 /nfs/dbraw/zinc/15/19/67/267151967.db2.gz GJMLKYYLTZAKHU-DUXPYHPUSA-N 1 2 285.303 1.350 20 10 CDCDLO CC[C@@H]([NH2+]C[C@H](C)OC)c1cccc(-c2nn[nH]n2)c1O ZINC001590469981 1173420990 /nfs/dbraw/zinc/42/09/90/1173420990.db2.gz NTCMCNZCYDGLEA-JOYOIKCWSA-N 1 2 291.355 1.648 20 10 CDCDLO COC[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276854548 293186057 /nfs/dbraw/zinc/18/60/57/293186057.db2.gz BLWBSIYFKSKLJA-JGVFFNPUSA-N 1 2 261.268 1.328 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1c(O)cccc1Cl ZINC000131231151 522988361 /nfs/dbraw/zinc/98/83/61/522988361.db2.gz DHZGWEKCIPFCFL-NSHDSACASA-N 1 2 268.744 1.756 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000131231151 522988374 /nfs/dbraw/zinc/98/83/74/522988374.db2.gz DHZGWEKCIPFCFL-NSHDSACASA-N 1 2 268.744 1.756 20 10 CDCDLO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)CC[S@@]1=O ZINC000277290281 524293964 /nfs/dbraw/zinc/29/39/64/524293964.db2.gz AGLSPWCLBBIZGQ-WVDJIFEKSA-N 1 2 297.376 1.464 20 10 CDCDLO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)CC[S@@]1=O ZINC000277290281 524293971 /nfs/dbraw/zinc/29/39/71/524293971.db2.gz AGLSPWCLBBIZGQ-WVDJIFEKSA-N 1 2 297.376 1.464 20 10 CDCDLO COc1cccc(C[NH2+][C@]2(C)CCOC2=O)c1O ZINC000289912560 526042109 /nfs/dbraw/zinc/04/21/09/526042109.db2.gz UWJHAWMQMLEFHB-CYBMUJFWSA-N 1 2 251.282 1.196 20 10 CDCDLO COCCC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000727106155 574551662 /nfs/dbraw/zinc/55/16/62/574551662.db2.gz ZIGPBANXEZBFIO-UHFFFAOYSA-N 1 2 292.379 1.817 20 10 CDCDLO O=C(C1=CC(=O)CS1)N1CC[NH+](CC2CC2)CC1 ZINC000731870866 575067093 /nfs/dbraw/zinc/06/70/93/575067093.db2.gz PILQNRFACPLIPX-UHFFFAOYSA-N 1 2 266.366 1.622 20 10 CDCDLO COCCOC1C[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000893314752 617557801 /nfs/dbraw/zinc/55/78/01/617557801.db2.gz VJBSGGZIBWPSMI-UHFFFAOYSA-N 1 2 297.351 1.257 20 10 CDCDLO COc1cccc(C[N@@H+]2CCO[C@@H](OC)C2)c1O ZINC000895971023 619929376 /nfs/dbraw/zinc/92/93/76/619929376.db2.gz WGNSMCPJVZYHTK-GFCCVEGCSA-N 1 2 253.298 1.206 20 10 CDCDLO COc1cccc(C[N@H+]2CCO[C@@H](OC)C2)c1O ZINC000895971023 619929381 /nfs/dbraw/zinc/92/93/81/619929381.db2.gz WGNSMCPJVZYHTK-GFCCVEGCSA-N 1 2 253.298 1.206 20 10 CDCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(O)cc1O ZINC000910945454 629126364 /nfs/dbraw/zinc/12/63/64/629126364.db2.gz WRRYIDPSEJHZDL-SECBINFHSA-N 1 2 275.308 1.316 20 10 CDCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(O)cc1O ZINC000910945454 629126366 /nfs/dbraw/zinc/12/63/66/629126366.db2.gz WRRYIDPSEJHZDL-SECBINFHSA-N 1 2 275.308 1.316 20 10 CDCDLO Nc1ccc(NCC(=O)c2ccc(O)c(O)c2)c[nH+]1 ZINC001170314911 1162334825 /nfs/dbraw/zinc/33/48/25/1162334825.db2.gz KNPQMBPIUINBNX-UHFFFAOYSA-N 1 2 259.265 1.370 20 10 CDCDLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc(O)c(O)c1 ZINC000793690682 1162439223 /nfs/dbraw/zinc/43/92/23/1162439223.db2.gz XGBFEGSCLROXLF-UHFFFAOYSA-N 1 2 261.281 1.070 20 10 CDCDLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc(O)c(O)c1 ZINC000793690682 1162439224 /nfs/dbraw/zinc/43/92/24/1162439224.db2.gz XGBFEGSCLROXLF-UHFFFAOYSA-N 1 2 261.281 1.070 20 10 CDCDLO C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(C(=O)[O-])ccc1O ZINC001604356785 1163163262 /nfs/dbraw/zinc/16/32/62/1163163262.db2.gz DBKPRDPVMJEFAI-ONGXEEELSA-N 1 2 264.325 1.493 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(C(=O)[O-])ccc1O ZINC001604357454 1163162777 /nfs/dbraw/zinc/16/27/77/1163162777.db2.gz KQXCZEKGBNQZDC-HMHPOGMRSA-N 1 2 276.336 1.634 20 10 CDCDLO C[C@@H]1CN(C2C[NH+](Cc3cc(F)ccc3O)C2)C[C@@H](C)O1 ZINC001140056422 894771910 /nfs/dbraw/zinc/77/19/10/894771910.db2.gz WJNPTMKILMPJCA-VXGBXAGGSA-N 1 2 294.370 1.825 20 10 CDCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001235057361 913997957 /nfs/dbraw/zinc/99/79/57/913997957.db2.gz MFDIXVBHLANFII-SECBINFHSA-N 1 2 290.132 1.860 20 10 CDCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001235057361 913997967 /nfs/dbraw/zinc/99/79/67/913997967.db2.gz MFDIXVBHLANFII-SECBINFHSA-N 1 2 290.132 1.860 20 10 CDCDLO Oc1cccc(F)c1C[NH+]1CC(N2CCOCC2)C1 ZINC001137837577 936418781 /nfs/dbraw/zinc/41/87/81/936418781.db2.gz MMZVJWSJHCXCAD-UHFFFAOYSA-N 1 2 266.316 1.048 20 10 CDCDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137837637 936419084 /nfs/dbraw/zinc/41/90/84/936419084.db2.gz PAIRFQSHZHARCB-NSHDSACASA-N 1 2 252.289 1.371 20 10 CDCDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137837637 936419085 /nfs/dbraw/zinc/41/90/85/936419085.db2.gz PAIRFQSHZHARCB-NSHDSACASA-N 1 2 252.289 1.371 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](O)C1 ZINC001139126233 936599905 /nfs/dbraw/zinc/59/99/05/936599905.db2.gz BYXPTYJXZIFUIS-LLVKDONJSA-N 1 2 289.331 1.764 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](O)C1 ZINC001139126233 936599907 /nfs/dbraw/zinc/59/99/07/936599907.db2.gz BYXPTYJXZIFUIS-LLVKDONJSA-N 1 2 289.331 1.764 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)CC1COC1 ZINC001139132711 936600710 /nfs/dbraw/zinc/60/07/10/936600710.db2.gz ZLSVSFZDDLFHDW-UHFFFAOYSA-N 1 2 289.331 1.885 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)CC1COC1 ZINC001139132711 936600711 /nfs/dbraw/zinc/60/07/11/936600711.db2.gz ZLSVSFZDDLFHDW-UHFFFAOYSA-N 1 2 289.331 1.885 20 10 CDCDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c(O)cc(F)cc1F ZINC001140583918 936727528 /nfs/dbraw/zinc/72/75/28/936727528.db2.gz YOOXOYJEGJAIDE-PHIMTYICSA-N 1 2 268.307 1.949 20 10 CDCDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c(O)cc(F)cc1F ZINC001140583918 936727530 /nfs/dbraw/zinc/72/75/30/936727530.db2.gz YOOXOYJEGJAIDE-PHIMTYICSA-N 1 2 268.307 1.949 20 10 CDCDLO C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000843043801 937105741 /nfs/dbraw/zinc/10/57/41/937105741.db2.gz IAKSVQVMCJKYNI-INIZCTEOSA-N 1 2 288.439 1.362 20 10 CDCDLO CN(C)c1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000854271130 928180148 /nfs/dbraw/zinc/18/01/48/928180148.db2.gz WWGCOQMZQUDHOU-UHFFFAOYSA-N 1 2 258.325 1.335 20 10 CDCDLO CC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(F)cc1O ZINC000796936122 937317134 /nfs/dbraw/zinc/31/71/34/937317134.db2.gz DSRVMCVTWIXOSM-DZGCQCFKSA-N 1 2 282.359 1.639 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000862754629 929465454 /nfs/dbraw/zinc/46/54/54/929465454.db2.gz HSEZFZFZZGJYEJ-CHWSQXEVSA-N 1 2 285.347 1.854 20 10 CDCDLO OC[C@]12C[C@H]1C[N@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000816586870 930312712 /nfs/dbraw/zinc/31/27/12/930312712.db2.gz WJAOLZOMDFXIHA-TVQRCGJNSA-N 1 2 271.719 1.999 20 10 CDCDLO OC[C@]12C[C@H]1C[N@@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000816586870 930312721 /nfs/dbraw/zinc/31/27/21/930312721.db2.gz WJAOLZOMDFXIHA-TVQRCGJNSA-N 1 2 271.719 1.999 20 10 CDCDLO CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(F)cc1[O-] ZINC000817982454 930657758 /nfs/dbraw/zinc/65/77/58/930657758.db2.gz SPCCGDCMNMWMRR-GXTWGEPZSA-N 1 2 282.359 1.951 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](C)O ZINC000823576040 931324961 /nfs/dbraw/zinc/32/49/61/931324961.db2.gz HDPVQBOXZKLHMB-NSHDSACASA-N 1 2 267.325 1.138 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](C)O ZINC000823576040 931324973 /nfs/dbraw/zinc/32/49/73/931324973.db2.gz HDPVQBOXZKLHMB-NSHDSACASA-N 1 2 267.325 1.138 20 10 CDCDLO CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274837283 931588521 /nfs/dbraw/zinc/58/85/21/931588521.db2.gz VEQAMOLTNBOSBP-HNNXBMFYSA-N 1 2 292.335 1.000 20 10 CDCDLO CN1CC[C@@]2(CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274837283 931588522 /nfs/dbraw/zinc/58/85/22/931588522.db2.gz VEQAMOLTNBOSBP-HNNXBMFYSA-N 1 2 292.335 1.000 20 10 CDCDLO C[C@H](C[NH3+])N(C)Cc1cccc(Br)c1O ZINC000381753358 935752435 /nfs/dbraw/zinc/75/24/35/935752435.db2.gz RPVNEFISKXMMFG-MRVPVSSYSA-N 1 2 273.174 1.934 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCOCC23CC3)cc1OC ZINC000802658494 936055247 /nfs/dbraw/zinc/05/52/47/936055247.db2.gz FPLOOQDTPCMATM-UHFFFAOYSA-N 1 2 279.336 1.774 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCOCC23CC3)cc1OC ZINC000802658494 936055249 /nfs/dbraw/zinc/05/52/49/936055249.db2.gz FPLOOQDTPCMATM-UHFFFAOYSA-N 1 2 279.336 1.774 20 10 CDCDLO Nc1ccc(CC(=O)N2CCc3[nH+]ccn3CC2)cc1 ZINC001160760151 938825160 /nfs/dbraw/zinc/82/51/60/938825160.db2.gz FJKMTLCCCQNPGH-UHFFFAOYSA-N 1 2 270.336 1.093 20 10 CDCDLO OCCCN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203651058 939699581 /nfs/dbraw/zinc/69/95/81/939699581.db2.gz INQPUWFHQSQQDB-UHFFFAOYSA-N 1 2 284.787 1.546 20 10 CDCDLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001206220634 940000594 /nfs/dbraw/zinc/00/05/94/940000594.db2.gz AWKDUXDBWQMNEZ-NSHDSACASA-N 1 2 276.258 1.563 20 10 CDCDLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001206220634 940000596 /nfs/dbraw/zinc/00/05/96/940000596.db2.gz AWKDUXDBWQMNEZ-NSHDSACASA-N 1 2 276.258 1.563 20 10 CDCDLO COc1ccc(CN2CC3(CC[N@H+]3C)C2)c(O)c1Cl ZINC001276805975 941355892 /nfs/dbraw/zinc/35/58/92/941355892.db2.gz FBSWRODUBNREAS-UHFFFAOYSA-N 1 2 282.771 1.944 20 10 CDCDLO COc1cc(C[N@@H+]2CCC(=O)C[C@H]2C)c(O)cc1O ZINC001231634245 942948865 /nfs/dbraw/zinc/94/88/65/942948865.db2.gz JSTJQRXDRNPEOY-SECBINFHSA-N 1 2 265.309 1.660 20 10 CDCDLO COc1cc(C[N@H+]2CCC(=O)C[C@H]2C)c(O)cc1O ZINC001231634245 942948873 /nfs/dbraw/zinc/94/88/73/942948873.db2.gz JSTJQRXDRNPEOY-SECBINFHSA-N 1 2 265.309 1.660 20 10 CDCDLO COc1cc(C[N@H+]2CCC(=O)[C@H](F)CC2)c(O)cc1O ZINC001231634075 942948896 /nfs/dbraw/zinc/94/88/96/942948896.db2.gz HMPONZUCQRVILT-SNVBAGLBSA-N 1 2 283.299 1.609 20 10 CDCDLO COc1cc(C[N@@H+]2CCC(=O)[C@H](F)CC2)c(O)cc1O ZINC001231634075 942948904 /nfs/dbraw/zinc/94/89/04/942948904.db2.gz HMPONZUCQRVILT-SNVBAGLBSA-N 1 2 283.299 1.609 20 10 CDCDLO CCOC(=O)C[N@H+](CC)Cc1cc(OC)c(O)cc1O ZINC001231639526 942957121 /nfs/dbraw/zinc/95/71/21/942957121.db2.gz SCEIXKZFHKAGRY-UHFFFAOYSA-N 1 2 283.324 1.491 20 10 CDCDLO CCOC(=O)C[N@@H+](CC)Cc1cc(OC)c(O)cc1O ZINC001231639526 942957122 /nfs/dbraw/zinc/95/71/22/942957122.db2.gz SCEIXKZFHKAGRY-UHFFFAOYSA-N 1 2 283.324 1.491 20 10 CDCDLO Oc1cc(C[NH+]2CC3(CSC3)C2)cc(O)c1O ZINC001233016220 943465049 /nfs/dbraw/zinc/46/50/49/943465049.db2.gz PHZNCGGIKQSKDP-UHFFFAOYSA-N 1 2 253.323 1.352 20 10 CDCDLO C[C@]1(O)COCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332588 943546372 /nfs/dbraw/zinc/54/63/72/943546372.db2.gz PYIIHSWSSPOWSP-CYBMUJFWSA-N 1 2 273.279 1.254 20 10 CDCDLO C[C@]1(O)COCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332588 943546376 /nfs/dbraw/zinc/54/63/76/943546376.db2.gz PYIIHSWSSPOWSP-CYBMUJFWSA-N 1 2 273.279 1.254 20 10 CDCDLO COC(=O)[C@@H]1CC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236809519 944576111 /nfs/dbraw/zinc/57/61/11/944576111.db2.gz XFEHPAXBSIOFNP-LBPRGKRZSA-N 1 2 265.309 1.457 20 10 CDCDLO COC(=O)[C@@H]1CC[N@H+]1Cc1c(C)cc(OC)cc1O ZINC001236809519 944576115 /nfs/dbraw/zinc/57/61/15/944576115.db2.gz XFEHPAXBSIOFNP-LBPRGKRZSA-N 1 2 265.309 1.457 20 10 CDCDLO CC(C)c1ccc(C[N@H+]2CCN(C)C(=O)C2)c(O)c1 ZINC001237045267 944646663 /nfs/dbraw/zinc/64/66/63/944646663.db2.gz HRAPJLPNGDVVHC-UHFFFAOYSA-N 1 2 262.353 1.790 20 10 CDCDLO CC(C)c1ccc(C[N@@H+]2CCN(C)C(=O)C2)c(O)c1 ZINC001237045267 944646659 /nfs/dbraw/zinc/64/66/59/944646659.db2.gz HRAPJLPNGDVVHC-UHFFFAOYSA-N 1 2 262.353 1.790 20 10 CDCDLO CN1C[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]2C1=O ZINC001237801617 944955429 /nfs/dbraw/zinc/95/54/29/944955429.db2.gz WIEDTPTULFKTAD-KOLCDFICSA-N 1 2 298.745 1.705 20 10 CDCDLO CN1C[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]2C1=O ZINC001237801617 944955437 /nfs/dbraw/zinc/95/54/37/944955437.db2.gz WIEDTPTULFKTAD-KOLCDFICSA-N 1 2 298.745 1.705 20 10 CDCDLO CNC(=O)CC[N@H+](C)Cc1cc(F)cc(Cl)c1O ZINC001237814436 944962867 /nfs/dbraw/zinc/96/28/67/944962867.db2.gz RJAICEDOOMUVPI-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO CNC(=O)CC[N@@H+](C)Cc1cc(F)cc(Cl)c1O ZINC001237814436 944962869 /nfs/dbraw/zinc/96/28/69/944962869.db2.gz RJAICEDOOMUVPI-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO COc1cc(O)c(C[NH2+]Cc2csnn2)cc1OC ZINC001262011383 946374082 /nfs/dbraw/zinc/37/40/82/946374082.db2.gz JQVCDGVPZXAXLW-UHFFFAOYSA-N 1 2 281.337 1.551 20 10 CDCDLO O=C(NCc1cccc(O)c1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001520508748 970194193 /nfs/dbraw/zinc/19/41/93/970194193.db2.gz LBNZKSZVVKTJRL-NSHDSACASA-N 1 2 287.319 1.173 20 10 CDCDLO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCNC1=O ZINC000282224185 367783895 /nfs/dbraw/zinc/78/38/95/367783895.db2.gz FDZLTLCAIYJTLU-CYBMUJFWSA-N 1 2 294.326 1.444 20 10 CDCDLO CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCNC1=O ZINC000282224185 367783901 /nfs/dbraw/zinc/78/39/01/367783901.db2.gz FDZLTLCAIYJTLU-CYBMUJFWSA-N 1 2 294.326 1.444 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000372637747 391859788 /nfs/dbraw/zinc/85/97/88/391859788.db2.gz IJEUDFCCZCCRRH-UWVGGRQHSA-N 1 2 259.708 1.950 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc(Cl)c1O ZINC000372637747 391859790 /nfs/dbraw/zinc/85/97/90/391859790.db2.gz IJEUDFCCZCCRRH-UWVGGRQHSA-N 1 2 259.708 1.950 20 10 CDCDLO COC[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1O)OC ZINC000276916038 263038635 /nfs/dbraw/zinc/03/86/35/263038635.db2.gz LQYIRUMNELVJOQ-BDAKNGLRSA-N 1 2 275.295 1.982 20 10 CDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000187569343 329359223 /nfs/dbraw/zinc/35/92/23/329359223.db2.gz UOECOFYSRYGQQA-GHMZBOCLSA-N 1 2 285.727 1.154 20 10 CDCDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000093384593 1159674221 /nfs/dbraw/zinc/67/42/21/1159674221.db2.gz RBPUCJYOKMSOIE-SECBINFHSA-N 1 2 291.800 1.911 20 10 CDCDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000093384593 1159674225 /nfs/dbraw/zinc/67/42/25/1159674225.db2.gz RBPUCJYOKMSOIE-SECBINFHSA-N 1 2 291.800 1.911 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000263802230 520767411 /nfs/dbraw/zinc/76/74/11/520767411.db2.gz LSNFWNNTMMBBDL-UHFFFAOYSA-N 1 2 293.319 1.648 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000263802230 520767415 /nfs/dbraw/zinc/76/74/15/520767415.db2.gz LSNFWNNTMMBBDL-UHFFFAOYSA-N 1 2 293.319 1.648 20 10 CDCDLO COc1c(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278248911 521877139 /nfs/dbraw/zinc/87/71/39/521877139.db2.gz OVPAKEKAHKBQEN-AOOOYVTPSA-N 1 2 296.323 1.918 20 10 CDCDLO COc1c(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278248911 521877147 /nfs/dbraw/zinc/87/71/47/521877147.db2.gz OVPAKEKAHKBQEN-AOOOYVTPSA-N 1 2 296.323 1.918 20 10 CDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(N)cc1 ZINC000036999359 524956471 /nfs/dbraw/zinc/95/64/71/524956471.db2.gz FUFZNEXBBIAADW-NSHDSACASA-N 1 2 258.325 1.213 20 10 CDCDLO COc1cccc(O)c1C[N@H+](C)Cc1nnc2n1CCC2 ZINC000768223616 576265657 /nfs/dbraw/zinc/26/56/57/576265657.db2.gz JSMUALLIYVZFKO-UHFFFAOYSA-N 1 2 288.351 1.571 20 10 CDCDLO COc1cccc(O)c1C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000768223616 576265659 /nfs/dbraw/zinc/26/56/59/576265659.db2.gz JSMUALLIYVZFKO-UHFFFAOYSA-N 1 2 288.351 1.571 20 10 CDCDLO CCOc1ccc(C[N@@H+](CCOC)CC(=O)OC)c(O)c1 ZINC000769421991 576353014 /nfs/dbraw/zinc/35/30/14/576353014.db2.gz DODPKSZVDBNYSL-UHFFFAOYSA-N 1 2 297.351 1.412 20 10 CDCDLO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1cc(F)cc(F)c1O ZINC000756371592 576987392 /nfs/dbraw/zinc/98/73/92/576987392.db2.gz LVXFDUFUOUJIBV-MRVPVSSYSA-N 1 2 284.306 1.847 20 10 CDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@H](CO)CC(F)F)c1 ZINC000758616265 577122153 /nfs/dbraw/zinc/12/21/53/577122153.db2.gz RCOXGQQRJLMWFH-QMMMGPOBSA-N 1 2 276.239 1.406 20 10 CDCDLO CC[N@H+](CC(=O)N(C)C)Cc1cccc(Cl)c1O ZINC000124534369 1175334317 /nfs/dbraw/zinc/33/43/17/1175334317.db2.gz CHWCZMOMXSPTQE-UHFFFAOYSA-N 1 2 270.760 1.956 20 10 CDCDLO CC[N@@H+](CC(=O)N(C)C)Cc1cccc(Cl)c1O ZINC000124534369 1175334324 /nfs/dbraw/zinc/33/43/24/1175334324.db2.gz CHWCZMOMXSPTQE-UHFFFAOYSA-N 1 2 270.760 1.956 20 10 CDCDLO CNc1cc(NCc2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC000891967337 617901297 /nfs/dbraw/zinc/90/12/97/617901297.db2.gz JYGOWGQIRBVYRW-UHFFFAOYSA-N 1 2 299.378 1.967 20 10 CDCDLO CNc1cc(NCc2ccc(N3CCOCC3)cc2)[nH+]cn1 ZINC000891967337 617901306 /nfs/dbraw/zinc/90/13/06/617901306.db2.gz JYGOWGQIRBVYRW-UHFFFAOYSA-N 1 2 299.378 1.967 20 10 CDCDLO C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)[C@@H](C(N)=O)C1 ZINC000894500431 618927322 /nfs/dbraw/zinc/92/73/22/618927322.db2.gz NZTXTKRVQXLQKR-QPUJVOFHSA-N 1 2 284.306 1.756 20 10 CDCDLO C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)[C@@H](C(N)=O)C1 ZINC000894500431 618927327 /nfs/dbraw/zinc/92/73/27/618927327.db2.gz NZTXTKRVQXLQKR-QPUJVOFHSA-N 1 2 284.306 1.756 20 10 CDCDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895250997 619495732 /nfs/dbraw/zinc/49/57/32/619495732.db2.gz FJBUUAUNCJNELJ-NSHDSACASA-N 1 2 298.289 1.697 20 10 CDCDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895250997 619495733 /nfs/dbraw/zinc/49/57/33/619495733.db2.gz FJBUUAUNCJNELJ-NSHDSACASA-N 1 2 298.289 1.697 20 10 CDCDLO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1 ZINC000895575764 619733561 /nfs/dbraw/zinc/73/35/61/619733561.db2.gz IDZYGYGAINCPDR-BETUJISGSA-N 1 2 294.782 1.956 20 10 CDCDLO CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1 ZINC000895575764 619733564 /nfs/dbraw/zinc/73/35/64/619733564.db2.gz IDZYGYGAINCPDR-BETUJISGSA-N 1 2 294.782 1.956 20 10 CDCDLO CN1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000042546225 624470117 /nfs/dbraw/zinc/47/01/17/624470117.db2.gz SOXYVQWPZVXHMC-SNVBAGLBSA-N 1 2 285.185 1.948 20 10 CDCDLO Cn1c[nH+]cc1CCC(=O)NCc1ccc(O)c(O)c1 ZINC000793690675 1162439237 /nfs/dbraw/zinc/43/92/37/1162439237.db2.gz XDRFURXOUDFHMQ-UHFFFAOYSA-N 1 2 275.308 1.080 20 10 CDCDLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(N)cc1 ZINC000877074945 1165971214 /nfs/dbraw/zinc/97/12/14/1165971214.db2.gz VOUKBYZBQBJAIY-LLVKDONJSA-N 1 2 270.336 1.691 20 10 CDCDLO Oc1c(F)ccc(F)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC001139685388 936635988 /nfs/dbraw/zinc/63/59/88/936635988.db2.gz XUHVDNSVCQOTAY-JTQLQIEISA-N 1 2 268.307 1.950 20 10 CDCDLO Oc1c(F)ccc(F)c1CN1CC[N@H+]2CCC[C@H]2C1 ZINC001139685388 936635989 /nfs/dbraw/zinc/63/59/89/936635989.db2.gz XUHVDNSVCQOTAY-JTQLQIEISA-N 1 2 268.307 1.950 20 10 CDCDLO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1c(F)ccc(F)c1O ZINC001275362523 931749988 /nfs/dbraw/zinc/74/99/88/931749988.db2.gz NALNOOOADLNFBT-AOOOYVTPSA-N 1 2 284.306 1.185 20 10 CDCDLO C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1c(F)ccc(F)c1O ZINC001275362523 931749995 /nfs/dbraw/zinc/74/99/95/931749995.db2.gz NALNOOOADLNFBT-AOOOYVTPSA-N 1 2 284.306 1.185 20 10 CDCDLO C[N@H+]1C[C@H]2CN(Cc3cc(F)c(F)cc3O)C[C@@H](C1)O2 ZINC001275773886 932016255 /nfs/dbraw/zinc/01/62/55/932016255.db2.gz OGSGFHYWYLRLJI-PHIMTYICSA-N 1 2 284.306 1.185 20 10 CDCDLO C[N@@H+]1C[C@H]2CN(Cc3cc(F)c(F)cc3O)C[C@@H](C1)O2 ZINC001275773886 932016261 /nfs/dbraw/zinc/01/62/61/932016261.db2.gz OGSGFHYWYLRLJI-PHIMTYICSA-N 1 2 284.306 1.185 20 10 CDCDLO C[C@H](C(=O)NCc1ccc(O)cc1O)n1cc[nH+]c1 ZINC001162278754 938970294 /nfs/dbraw/zinc/97/02/94/938970294.db2.gz LGJGXUKANCEVJE-SECBINFHSA-N 1 2 261.281 1.172 20 10 CDCDLO CC(C)N1CC[N@H+](Cc2ccc(O)cc2O)CC1=O ZINC001204281907 939752529 /nfs/dbraw/zinc/75/25/29/939752529.db2.gz ZZYBVOOGODMEJI-UHFFFAOYSA-N 1 2 264.325 1.150 20 10 CDCDLO CC(C)N1CC[N@@H+](Cc2ccc(O)cc2O)CC1=O ZINC001204281907 939752533 /nfs/dbraw/zinc/75/25/33/939752533.db2.gz ZZYBVOOGODMEJI-UHFFFAOYSA-N 1 2 264.325 1.150 20 10 CDCDLO COc1cc(C[N@@H+]2CCCN(C(C)=O)CC2)cc(O)c1O ZINC001204340132 939756563 /nfs/dbraw/zinc/75/65/63/939756563.db2.gz DRBQYYDDPHTVCC-UHFFFAOYSA-N 1 2 294.351 1.161 20 10 CDCDLO COc1cc(C[N@H+]2CCCN(C(C)=O)CC2)cc(O)c1O ZINC001204340132 939756565 /nfs/dbraw/zinc/75/65/65/939756565.db2.gz DRBQYYDDPHTVCC-UHFFFAOYSA-N 1 2 294.351 1.161 20 10 CDCDLO CN(C)C(=O)[C@@H]1CC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277485092 942779074 /nfs/dbraw/zinc/77/90/74/942779074.db2.gz XTCFCHPKKZUXGD-NSHDSACASA-N 1 2 278.327 1.441 20 10 CDCDLO C[C@@]1(CO)CC[N@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC001231910980 943051161 /nfs/dbraw/zinc/05/11/61/943051161.db2.gz XNHNRNCAOVGOAH-OCCSQVGLSA-N 1 2 285.771 1.611 20 10 CDCDLO C[C@@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC001231910980 943051169 /nfs/dbraw/zinc/05/11/69/943051169.db2.gz XNHNRNCAOVGOAH-OCCSQVGLSA-N 1 2 285.771 1.611 20 10 CDCDLO C[C@]1(CO)CC[N@H+](Cc2ccc(F)c(F)c2O)C[C@H]1O ZINC001233076786 943485232 /nfs/dbraw/zinc/48/52/32/943485232.db2.gz VDWRATXWTBMETJ-BXUZGUMPSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@]1(CO)CC[N@@H+](Cc2ccc(F)c(F)c2O)C[C@H]1O ZINC001233076786 943485236 /nfs/dbraw/zinc/48/52/36/943485236.db2.gz VDWRATXWTBMETJ-BXUZGUMPSA-N 1 2 287.306 1.236 20 10 CDCDLO CN1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC1=O ZINC001233283748 943530506 /nfs/dbraw/zinc/53/05/06/943530506.db2.gz UACANTPMUUARMA-UHFFFAOYSA-N 1 2 276.380 1.964 20 10 CDCDLO CN1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CC1=O ZINC001233283748 943530511 /nfs/dbraw/zinc/53/05/11/943530511.db2.gz UACANTPMUUARMA-UHFFFAOYSA-N 1 2 276.380 1.964 20 10 CDCDLO C[C@@]1(O)COCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332589 943546732 /nfs/dbraw/zinc/54/67/32/943546732.db2.gz PYIIHSWSSPOWSP-ZDUSSCGKSA-N 1 2 273.279 1.254 20 10 CDCDLO C[C@@]1(O)COCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332589 943546734 /nfs/dbraw/zinc/54/67/34/943546734.db2.gz PYIIHSWSSPOWSP-ZDUSSCGKSA-N 1 2 273.279 1.254 20 10 CDCDLO CCc1ccc(C[N@@H+]2CCO[C@@H](C(C)=O)C2)c(O)c1 ZINC001236787766 944568100 /nfs/dbraw/zinc/56/81/00/944568100.db2.gz KYNTYVFBPBYARX-OAHLLOKOSA-N 1 2 263.337 1.744 20 10 CDCDLO CCc1ccc(C[N@H+]2CCO[C@@H](C(C)=O)C2)c(O)c1 ZINC001236787766 944568106 /nfs/dbraw/zinc/56/81/06/944568106.db2.gz KYNTYVFBPBYARX-OAHLLOKOSA-N 1 2 263.337 1.744 20 10 CDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H](C)CC1CC1 ZINC001258447492 948847434 /nfs/dbraw/zinc/84/74/34/948847434.db2.gz DPFIBKSRHAEVAY-GWCFXTLKSA-N 1 2 293.363 1.960 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000093458447 360298271 /nfs/dbraw/zinc/29/82/71/360298271.db2.gz FGRVIALBWJAOBD-LBPRGKRZSA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000093458447 360298273 /nfs/dbraw/zinc/29/82/73/360298273.db2.gz FGRVIALBWJAOBD-LBPRGKRZSA-N 1 2 299.754 1.810 20 10 CDCDLO CNC(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000271828953 365000454 /nfs/dbraw/zinc/00/04/54/365000454.db2.gz OMIXEZCODFNIDA-UHFFFAOYSA-N 1 2 283.759 1.503 20 10 CDCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000272289810 365174492 /nfs/dbraw/zinc/17/44/92/365174492.db2.gz NZBSDUOICZCKHL-JJQCHNSYSA-N 1 2 271.357 1.873 20 10 CDCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1cc(F)ccc1O ZINC000272289810 365174497 /nfs/dbraw/zinc/17/44/97/365174497.db2.gz NZBSDUOICZCKHL-JJQCHNSYSA-N 1 2 271.357 1.873 20 10 CDCDLO CC(C)N1CC[N@H+](Cc2cccc(F)c2O)CC1=O ZINC000272499886 365266748 /nfs/dbraw/zinc/26/67/48/365266748.db2.gz GOHBRCFULMDWSW-UHFFFAOYSA-N 1 2 266.316 1.584 20 10 CDCDLO CC(C)N1CC[N@@H+](Cc2cccc(F)c2O)CC1=O ZINC000272499886 365266751 /nfs/dbraw/zinc/26/67/51/365266751.db2.gz GOHBRCFULMDWSW-UHFFFAOYSA-N 1 2 266.316 1.584 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000195017393 391374547 /nfs/dbraw/zinc/37/45/47/391374547.db2.gz FCJQCGWGIRMEOZ-MRXNPFEDSA-N 1 2 293.363 1.782 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000195017393 391374551 /nfs/dbraw/zinc/37/45/51/391374551.db2.gz FCJQCGWGIRMEOZ-MRXNPFEDSA-N 1 2 293.363 1.782 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160158527 261206787 /nfs/dbraw/zinc/20/67/87/261206787.db2.gz ZJXGTFFXHICGGG-LLVKDONJSA-N 1 2 294.351 1.120 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160158527 261206789 /nfs/dbraw/zinc/20/67/89/261206789.db2.gz ZJXGTFFXHICGGG-LLVKDONJSA-N 1 2 294.351 1.120 20 10 CDCDLO Cc1cc(C[N@H+](C)Cc2nncn2C)ccc1N(C)C ZINC000293425927 263140254 /nfs/dbraw/zinc/14/02/54/263140254.db2.gz ARQBBOKQEIGUHZ-UHFFFAOYSA-N 1 2 273.384 1.822 20 10 CDCDLO Cc1cc(C[N@@H+](C)Cc2nncn2C)ccc1N(C)C ZINC000293425927 263140256 /nfs/dbraw/zinc/14/02/56/263140256.db2.gz ARQBBOKQEIGUHZ-UHFFFAOYSA-N 1 2 273.384 1.822 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000278923260 522180445 /nfs/dbraw/zinc/18/04/45/522180445.db2.gz VEQXOKGLKNEVPU-ZDUSSCGKSA-N 1 2 279.409 1.155 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000278923260 522180452 /nfs/dbraw/zinc/18/04/52/522180452.db2.gz VEQXOKGLKNEVPU-ZDUSSCGKSA-N 1 2 279.409 1.155 20 10 CDCDLO C[C@H]([NH2+]Cc1cc[nH]n1)c1cc([N+](=O)[O-])ccc1O ZINC000756555319 576995481 /nfs/dbraw/zinc/99/54/81/576995481.db2.gz SCBRFVCQAZIAGV-QMMMGPOBSA-N 1 2 262.269 1.874 20 10 CDCDLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1cc([N+](=O)[O-])ccc1O ZINC000757630794 577047018 /nfs/dbraw/zinc/04/70/18/577047018.db2.gz AABYMMLHMLHBMR-VIFPVBQESA-N 1 2 293.323 1.477 20 10 CDCDLO OCC[C@@]1([NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC000775203029 678397056 /nfs/dbraw/zinc/39/70/56/678397056.db2.gz AIRFGONISAVLCY-CYBMUJFWSA-N 1 2 289.734 1.816 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H]1O ZINC000840974750 617948659 /nfs/dbraw/zinc/94/86/59/617948659.db2.gz FYAUORJMSNBLNJ-BXKDBHETSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H]1O ZINC000840974750 617948663 /nfs/dbraw/zinc/94/86/63/617948663.db2.gz FYAUORJMSNBLNJ-BXKDBHETSA-N 1 2 289.734 1.360 20 10 CDCDLO COc1cc(C)cc(C[NH2+]CC(F)(F)CO)c1O ZINC000894474423 618908537 /nfs/dbraw/zinc/90/85/37/618908537.db2.gz BNNGSTUDKSAQDF-UHFFFAOYSA-N 1 2 261.268 1.426 20 10 CDCDLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000895316615 619547455 /nfs/dbraw/zinc/54/74/55/619547455.db2.gz QAFFHHBIESLBOB-LLVKDONJSA-N 1 2 268.744 1.660 20 10 CDCDLO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000895317402 619548786 /nfs/dbraw/zinc/54/87/86/619548786.db2.gz MZGUWHXNVVUSFO-WKFQBHICSA-N 1 2 271.263 1.712 20 10 CDCDLO C[C@H]([NH2+]Cc1nncn1C)c1c(O)cccc1F ZINC000886501294 677818487 /nfs/dbraw/zinc/81/84/87/677818487.db2.gz DYCIBNQLFZOSNR-QMMMGPOBSA-N 1 2 250.277 1.511 20 10 CDCDLO Oc1ccc(F)cc1C[NH+]1CCN(CC(F)F)CC1 ZINC000779003719 677942612 /nfs/dbraw/zinc/94/26/12/677942612.db2.gz XVVFEVODQOSIFY-UHFFFAOYSA-N 1 2 274.286 1.914 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000776252108 678040947 /nfs/dbraw/zinc/04/09/47/678040947.db2.gz NWKCPHLDVYDZGB-GFCCVEGCSA-N 1 2 275.707 1.426 20 10 CDCDLO CCn1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000838781494 679681647 /nfs/dbraw/zinc/68/16/47/679681647.db2.gz ZNZCORQUZRGSIC-UHFFFAOYSA-N 1 2 273.384 1.996 20 10 CDCDLO CCn1ncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000838781494 679681649 /nfs/dbraw/zinc/68/16/49/679681649.db2.gz ZNZCORQUZRGSIC-UHFFFAOYSA-N 1 2 273.384 1.996 20 10 CDCDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000846052553 677968443 /nfs/dbraw/zinc/96/84/43/677968443.db2.gz GBAAXKAVCQALET-GHMZBOCLSA-N 1 2 289.734 1.766 20 10 CDCDLO OCC(F)(F)C[NH2+]Cc1cc(Cl)ccc1O ZINC000183878360 678342367 /nfs/dbraw/zinc/34/23/67/678342367.db2.gz IOIVRWWBHFJVQJ-UHFFFAOYSA-N 1 2 251.660 1.763 20 10 CDCDLO CCOc1cccc(C[N@H+](C)Cc2cn(C)nn2)c1O ZINC000827304930 678438094 /nfs/dbraw/zinc/43/80/94/678438094.db2.gz JXDBYWAKOPRBSM-UHFFFAOYSA-N 1 2 276.340 1.551 20 10 CDCDLO CCOc1cccc(C[N@@H+](C)Cc2cn(C)nn2)c1O ZINC000827304930 678438109 /nfs/dbraw/zinc/43/81/09/678438109.db2.gz JXDBYWAKOPRBSM-UHFFFAOYSA-N 1 2 276.340 1.551 20 10 CDCDLO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883158006 678454985 /nfs/dbraw/zinc/45/49/85/678454985.db2.gz QYRZJXBEIGKUNG-KZCWHLCOSA-N 1 2 256.252 1.024 20 10 CDCDLO COc1cccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c1O ZINC000783734589 678714449 /nfs/dbraw/zinc/71/44/49/678714449.db2.gz ULEOQMIZXOWDOB-JTQLQIEISA-N 1 2 264.325 1.063 20 10 CDCDLO COc1cccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1O ZINC000783734589 678714453 /nfs/dbraw/zinc/71/44/53/678714453.db2.gz ULEOQMIZXOWDOB-JTQLQIEISA-N 1 2 264.325 1.063 20 10 CDCDLO COC(=O)c1ccc(O)c([C@H](C)NCC(F)(F)C[NH3+])c1 ZINC000817966420 678719685 /nfs/dbraw/zinc/71/96/85/678719685.db2.gz NJRNRQCWYNWJRF-QMMMGPOBSA-N 1 2 288.294 1.423 20 10 CDCDLO CC[N@H+]1CCN(C(=O)C2=CC(=O)CS2)[C@H](C)C1 ZINC000807689418 679010742 /nfs/dbraw/zinc/01/07/42/679010742.db2.gz RALXGWOSCIMEGG-SECBINFHSA-N 1 2 254.355 1.620 20 10 CDCDLO CC[N@@H+]1CCN(C(=O)C2=CC(=O)CS2)[C@H](C)C1 ZINC000807689418 679010739 /nfs/dbraw/zinc/01/07/39/679010739.db2.gz RALXGWOSCIMEGG-SECBINFHSA-N 1 2 254.355 1.620 20 10 CDCDLO C[N@@H+]1CCN(Cc2cc(Cl)c(F)cc2O)[C@H](CO)C1 ZINC000877643203 679021005 /nfs/dbraw/zinc/02/10/05/679021005.db2.gz CIZREAOWCDSFFP-JTQLQIEISA-N 1 2 288.750 1.293 20 10 CDCDLO C[N@H+]1CCN(Cc2cc(Cl)c(F)cc2O)[C@H](CO)C1 ZINC000877643203 679021007 /nfs/dbraw/zinc/02/10/07/679021007.db2.gz CIZREAOWCDSFFP-JTQLQIEISA-N 1 2 288.750 1.293 20 10 CDCDLO C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001604341513 1163159711 /nfs/dbraw/zinc/15/97/11/1163159711.db2.gz GGIBAYWJXPMEDY-SECBINFHSA-N 1 2 264.325 1.493 20 10 CDCDLO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589956841 1173211252 /nfs/dbraw/zinc/21/12/52/1173211252.db2.gz DQTHWYVJNBNNID-VHSXEESVSA-N 1 2 290.371 1.173 20 10 CDCDLO O=C(/C=C\c1ccc(O)c(O)c1)NCCCn1cc[nH+]c1 ZINC000588403725 895831660 /nfs/dbraw/zinc/83/16/60/895831660.db2.gz YRJIZVIUVFCIRN-HYXAFXHYSA-N 1 2 287.319 1.514 20 10 CDCDLO OC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC001237617199 917522874 /nfs/dbraw/zinc/52/28/74/917522874.db2.gz MOVCJBBACTZCSN-UFBFGSQYSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC001237617199 917522893 /nfs/dbraw/zinc/52/28/93/917522893.db2.gz MOVCJBBACTZCSN-UFBFGSQYSA-N 1 2 289.734 1.360 20 10 CDCDLO COCC[N@H+](C)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139127374 936599631 /nfs/dbraw/zinc/59/96/31/936599631.db2.gz UODUYCIWYMCWSO-UHFFFAOYSA-N 1 2 277.320 1.885 20 10 CDCDLO COCC[N@@H+](C)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139127374 936599632 /nfs/dbraw/zinc/59/96/32/936599632.db2.gz UODUYCIWYMCWSO-UHFFFAOYSA-N 1 2 277.320 1.885 20 10 CDCDLO CN(C1COC1)C1C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001140465898 936712786 /nfs/dbraw/zinc/71/27/86/936712786.db2.gz UIAKEWKKBWQVPK-UHFFFAOYSA-N 1 2 282.771 1.560 20 10 CDCDLO Oc1cccc(F)c1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001137837502 922979024 /nfs/dbraw/zinc/97/90/24/922979024.db2.gz JLHGHDWRJXEHHJ-CYBMUJFWSA-N 1 2 294.370 1.828 20 10 CDCDLO CC(C)C(=O)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141163116 936823735 /nfs/dbraw/zinc/82/37/35/936823735.db2.gz PQWQSBLAMOYLSV-UHFFFAOYSA-N 1 2 278.352 1.398 20 10 CDCDLO O=C(NCCn1cc[nH+]c1)c1cc(O)c(O)c(Cl)c1 ZINC001193589262 923784877 /nfs/dbraw/zinc/78/48/77/923784877.db2.gz GIIZYLWGQJQNSC-UHFFFAOYSA-N 1 2 281.699 1.378 20 10 CDCDLO Cn1c[nH+]c2c1CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142527004 937027250 /nfs/dbraw/zinc/02/72/50/937027250.db2.gz FWPLBDFJTQPHNO-UHFFFAOYSA-N 1 2 279.290 1.962 20 10 CDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843434094 937149770 /nfs/dbraw/zinc/14/97/70/937149770.db2.gz HPJNXJDGEWEWJP-GHMZBOCLSA-N 1 2 299.754 1.401 20 10 CDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843434094 937149772 /nfs/dbraw/zinc/14/97/72/937149772.db2.gz HPJNXJDGEWEWJP-GHMZBOCLSA-N 1 2 299.754 1.401 20 10 CDCDLO O=C(c1cc(O)c(O)c(Cl)c1)N1CC[NH2+]C2(CC2)C1 ZINC001161556385 938912036 /nfs/dbraw/zinc/91/20/36/938912036.db2.gz OEDFJMHVWOGSTA-UHFFFAOYSA-N 1 2 282.727 1.329 20 10 CDCDLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001206229477 940002868 /nfs/dbraw/zinc/00/28/68/940002868.db2.gz MCSXBDVFYDRKPP-NSHDSACASA-N 1 2 278.249 1.997 20 10 CDCDLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001206229477 940002873 /nfs/dbraw/zinc/00/28/73/940002873.db2.gz MCSXBDVFYDRKPP-NSHDSACASA-N 1 2 278.249 1.997 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1ccc(OC)cc1O)C1CC1 ZINC000091773182 940754708 /nfs/dbraw/zinc/75/47/08/940754708.db2.gz HTDLHFXISIBKHQ-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1ccc(OC)cc1O)C1CC1 ZINC000091773182 940754712 /nfs/dbraw/zinc/75/47/12/940754712.db2.gz HTDLHFXISIBKHQ-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO O=c1[nH]ccc2c1CC[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233015654 943463382 /nfs/dbraw/zinc/46/33/82/943463382.db2.gz VRYVNWAXLZOMAZ-UHFFFAOYSA-N 1 2 288.303 1.462 20 10 CDCDLO O=c1[nH]ccc2c1CC[N@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233015654 943463385 /nfs/dbraw/zinc/46/33/85/943463385.db2.gz VRYVNWAXLZOMAZ-UHFFFAOYSA-N 1 2 288.303 1.462 20 10 CDCDLO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)ccc(F)c3F)C[C@@H]21 ZINC001233335875 943548473 /nfs/dbraw/zinc/54/84/73/943548473.db2.gz PIRFOGYWWXKEDD-WOFXILAISA-N 1 2 297.301 1.911 20 10 CDCDLO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c(O)ccc(F)c3F)C[C@@H]21 ZINC001233335875 943548476 /nfs/dbraw/zinc/54/84/76/943548476.db2.gz PIRFOGYWWXKEDD-WOFXILAISA-N 1 2 297.301 1.911 20 10 CDCDLO COc1cc(C)c(C[N@@H+]2CC(=O)NC[C@H]2C)c(O)c1 ZINC001236810074 944575622 /nfs/dbraw/zinc/57/56/22/944575622.db2.gz BKWDILQYPSLDOJ-SNVBAGLBSA-N 1 2 264.325 1.030 20 10 CDCDLO COc1cc(C)c(C[N@H+]2CC(=O)NC[C@H]2C)c(O)c1 ZINC001236810074 944575630 /nfs/dbraw/zinc/57/56/30/944575630.db2.gz BKWDILQYPSLDOJ-SNVBAGLBSA-N 1 2 264.325 1.030 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1O ZINC001237076930 944652961 /nfs/dbraw/zinc/65/29/61/944652961.db2.gz AWSRWLDSGDUJJD-CPCISQLKSA-N 1 2 292.162 1.484 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1O ZINC001237076930 944652966 /nfs/dbraw/zinc/65/29/66/944652966.db2.gz AWSRWLDSGDUJJD-CPCISQLKSA-N 1 2 292.162 1.484 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2O)CCC1=O ZINC001237486181 944811404 /nfs/dbraw/zinc/81/14/04/944811404.db2.gz WQEPPGHLWFEWNP-CYBMUJFWSA-N 1 2 291.347 1.655 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2O)CCC1=O ZINC001237486181 944811406 /nfs/dbraw/zinc/81/14/06/944811406.db2.gz WQEPPGHLWFEWNP-CYBMUJFWSA-N 1 2 291.347 1.655 20 10 CDCDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308673189 956557624 /nfs/dbraw/zinc/55/76/24/956557624.db2.gz VVYYREFBBQOGNC-VIFPVBQESA-N 1 2 285.294 1.174 20 10 CDCDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308673189 956557632 /nfs/dbraw/zinc/55/76/32/956557632.db2.gz VVYYREFBBQOGNC-VIFPVBQESA-N 1 2 285.294 1.174 20 10 CDCDLO Cn1c[nH+]cc1CNC(=O)NCc1cc(Cl)ccc1O ZINC001313182464 956841736 /nfs/dbraw/zinc/84/17/36/956841736.db2.gz MBTHSQWIHGDFCH-UHFFFAOYSA-N 1 2 294.742 1.779 20 10 CDCDLO Cc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c(O)c1O ZINC000272527498 365277292 /nfs/dbraw/zinc/27/72/92/365277292.db2.gz ABYVODMCMOJGOZ-SNVBAGLBSA-N 1 2 275.308 1.421 20 10 CDCDLO CC(=O)NC1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000297501295 371996979 /nfs/dbraw/zinc/99/69/79/371996979.db2.gz UYMJWFDWTJNSSG-UHFFFAOYSA-N 1 2 287.407 1.997 20 10 CDCDLO COc1c(O)c(C[N@H+](C2CC2)C2COC2)ccc1[N+](=O)[O-] ZINC000296070382 378715822 /nfs/dbraw/zinc/71/58/22/378715822.db2.gz PVMTXWMWQSRCON-UHFFFAOYSA-N 1 2 294.307 1.672 20 10 CDCDLO COc1c(O)c(C[N@@H+](C2CC2)C2COC2)ccc1[N+](=O)[O-] ZINC000296070382 378715829 /nfs/dbraw/zinc/71/58/29/378715829.db2.gz PVMTXWMWQSRCON-UHFFFAOYSA-N 1 2 294.307 1.672 20 10 CDCDLO C[C@H](Cc1ccc(O)c(O)c1)Nc1[nH+]cnc2c1cnn2C ZINC000184147753 262010397 /nfs/dbraw/zinc/01/03/97/262010397.db2.gz BQFALVYYTWNFHR-SECBINFHSA-N 1 2 299.334 1.818 20 10 CDCDLO O=C1OC[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCN12 ZINC000378443587 329050278 /nfs/dbraw/zinc/05/02/78/329050278.db2.gz MZZZJDZIFLUCAR-JTQLQIEISA-N 1 2 282.727 1.682 20 10 CDCDLO O=C1OC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCN12 ZINC000378443587 329050279 /nfs/dbraw/zinc/05/02/79/329050279.db2.gz MZZZJDZIFLUCAR-JTQLQIEISA-N 1 2 282.727 1.682 20 10 CDCDLO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1c(O)cc(F)cc1F ZINC001140583610 1159145523 /nfs/dbraw/zinc/14/55/23/1159145523.db2.gz NPTWFXGTMBNVFZ-UWVGGRQHSA-N 1 2 254.280 1.559 20 10 CDCDLO C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1c(O)cc(F)cc1F ZINC001140583610 1159145527 /nfs/dbraw/zinc/14/55/27/1159145527.db2.gz NPTWFXGTMBNVFZ-UWVGGRQHSA-N 1 2 254.280 1.559 20 10 CDCDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ncn(C)n1 ZINC000275847419 334795050 /nfs/dbraw/zinc/79/50/50/334795050.db2.gz QXMVJNGGCJAOSB-SNVBAGLBSA-N 1 2 258.325 1.601 20 10 CDCDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774839983 575245839 /nfs/dbraw/zinc/24/58/39/575245839.db2.gz IBZCZPPRNNDWOU-LLVKDONJSA-N 1 2 296.323 1.920 20 10 CDCDLO CC[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774839983 575245841 /nfs/dbraw/zinc/24/58/41/575245841.db2.gz IBZCZPPRNNDWOU-LLVKDONJSA-N 1 2 296.323 1.920 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCNC2=O)c1O ZINC000759435488 576389383 /nfs/dbraw/zinc/38/93/83/576389383.db2.gz GZVHLAAGEUGRIB-GFCCVEGCSA-N 1 2 280.299 1.054 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CCNC2=O)c1O ZINC000759435488 576389386 /nfs/dbraw/zinc/38/93/86/576389386.db2.gz GZVHLAAGEUGRIB-GFCCVEGCSA-N 1 2 280.299 1.054 20 10 CDCDLO COc1cc(N2CC[NH+](CCF)CC2)cc(OC)c1OC ZINC000759888026 576440911 /nfs/dbraw/zinc/44/09/11/576440911.db2.gz YYUMYQLFPIEBIS-UHFFFAOYSA-N 1 2 298.358 1.804 20 10 CDCDLO CN(C)c1ccc(C[N@H+](C)Cc2ncnn2C)cc1 ZINC000750184515 576980879 /nfs/dbraw/zinc/98/08/79/576980879.db2.gz KJZQTFUTSQEORY-UHFFFAOYSA-N 1 2 259.357 1.513 20 10 CDCDLO CN(C)c1ccc(C[N@@H+](C)Cc2ncnn2C)cc1 ZINC000750184515 576980880 /nfs/dbraw/zinc/98/08/80/576980880.db2.gz KJZQTFUTSQEORY-UHFFFAOYSA-N 1 2 259.357 1.513 20 10 CDCDLO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cnn(C)n1 ZINC000924862034 618396969 /nfs/dbraw/zinc/39/69/69/618396969.db2.gz OPPSTWWDICPUSW-JTQLQIEISA-N 1 2 277.347 1.871 20 10 CDCDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(N)cc1 ZINC000841300782 619736956 /nfs/dbraw/zinc/73/69/56/619736956.db2.gz UUOOAYSIHKHNEW-LLVKDONJSA-N 1 2 278.356 1.111 20 10 CDCDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(N)cc1 ZINC000841300782 619736959 /nfs/dbraw/zinc/73/69/59/619736959.db2.gz UUOOAYSIHKHNEW-LLVKDONJSA-N 1 2 278.356 1.111 20 10 CDCDLO CN1CCCc2cc(CNC(=O)Cc3c[nH]c[nH+]3)ccc21 ZINC000900432201 623048846 /nfs/dbraw/zinc/04/88/46/623048846.db2.gz COPRXKCDWLCICB-UHFFFAOYSA-N 1 2 284.363 1.651 20 10 CDCDLO O=C1CC[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000211586853 679769152 /nfs/dbraw/zinc/76/91/52/679769152.db2.gz ZJJYOASEWOVFGR-SNVBAGLBSA-N 1 2 280.755 1.852 20 10 CDCDLO O=C1CC[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000211586853 679769155 /nfs/dbraw/zinc/76/91/55/679769155.db2.gz ZJJYOASEWOVFGR-SNVBAGLBSA-N 1 2 280.755 1.852 20 10 CDCDLO CN(C)C1(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708466981 679808229 /nfs/dbraw/zinc/80/82/29/679808229.db2.gz WVWRSFYZZSNRFM-UHFFFAOYSA-N 1 2 256.296 1.854 20 10 CDCDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C1=CC(=O)CS1 ZINC000782014183 681599672 /nfs/dbraw/zinc/59/96/72/681599672.db2.gz RIAGHNHLMUNUNK-JTQLQIEISA-N 1 2 298.408 1.371 20 10 CDCDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C1=CC(=O)CS1 ZINC000782014183 681599679 /nfs/dbraw/zinc/59/96/79/681599679.db2.gz RIAGHNHLMUNUNK-JTQLQIEISA-N 1 2 298.408 1.371 20 10 CDCDLO CCC[N@H+](CC(N)=O)Cc1c(O)ccc(Cl)c1F ZINC000814177542 681810803 /nfs/dbraw/zinc/81/08/03/681810803.db2.gz GRMAPZPGJLCZQK-UHFFFAOYSA-N 1 2 274.723 1.882 20 10 CDCDLO CCC[N@@H+](CC(N)=O)Cc1c(O)ccc(Cl)c1F ZINC000814177542 681810804 /nfs/dbraw/zinc/81/08/04/681810804.db2.gz GRMAPZPGJLCZQK-UHFFFAOYSA-N 1 2 274.723 1.882 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)c(O)c1 ZINC000827884968 682601646 /nfs/dbraw/zinc/60/16/46/682601646.db2.gz MSJGEWURAKDEQR-UHFFFAOYSA-N 1 2 274.324 1.467 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCc3nn[nH]c3C2)c(O)c1 ZINC000827884968 682601650 /nfs/dbraw/zinc/60/16/50/682601650.db2.gz MSJGEWURAKDEQR-UHFFFAOYSA-N 1 2 274.324 1.467 20 10 CDCDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(O)c(O)c1 ZINC000779532932 682817523 /nfs/dbraw/zinc/81/75/23/682817523.db2.gz XQKFISTYDJUSOR-HWKANZROSA-N 1 2 273.292 1.459 20 10 CDCDLO CCN1CC[N@H+](Cc2ccc(N(C)C)cc2C)CC1=O ZINC000840939957 682839338 /nfs/dbraw/zinc/83/93/38/682839338.db2.gz SJEKJZMUWDFKEY-UHFFFAOYSA-N 1 2 275.396 1.725 20 10 CDCDLO CCN1CC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1=O ZINC000840939957 682839339 /nfs/dbraw/zinc/83/93/39/682839339.db2.gz SJEKJZMUWDFKEY-UHFFFAOYSA-N 1 2 275.396 1.725 20 10 CDCDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876580343 683617613 /nfs/dbraw/zinc/61/76/13/683617613.db2.gz JQYXJCUSFUABSE-LLVKDONJSA-N 1 2 284.306 1.771 20 10 CDCDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876580343 683617618 /nfs/dbraw/zinc/61/76/18/683617618.db2.gz JQYXJCUSFUABSE-LLVKDONJSA-N 1 2 284.306 1.771 20 10 CDCDLO CC(C)C[N@H+](CC(N)=O)Cc1cc(F)c(N(C)C)cc1F ZINC000862222828 683674272 /nfs/dbraw/zinc/67/42/72/683674272.db2.gz KKPCRUPENVRFLT-UHFFFAOYSA-N 1 2 299.365 1.974 20 10 CDCDLO CC(C)C[N@@H+](CC(N)=O)Cc1cc(F)c(N(C)C)cc1F ZINC000862222828 683674296 /nfs/dbraw/zinc/67/42/96/683674296.db2.gz KKPCRUPENVRFLT-UHFFFAOYSA-N 1 2 299.365 1.974 20 10 CDCDLO COc1ccc(O)c(C[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000391941795 684013426 /nfs/dbraw/zinc/01/34/26/684013426.db2.gz WRGLTBOADUJAJF-SECBINFHSA-N 1 2 262.313 1.380 20 10 CDCDLO CN(C)c1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000844129935 684212006 /nfs/dbraw/zinc/21/20/06/684212006.db2.gz VSXDRYAEZWYCBL-CQSZACIVSA-N 1 2 298.390 1.828 20 10 CDCDLO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000857069230 684291533 /nfs/dbraw/zinc/29/15/33/684291533.db2.gz VBWCNUUHGKREPS-LLVKDONJSA-N 1 2 286.734 1.895 20 10 CDCDLO CN(C)c1ccc(/C=C/C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC001180128336 916170722 /nfs/dbraw/zinc/17/07/22/916170722.db2.gz KHKRXGCUDMPXQT-RMKNXTFCSA-N 1 2 298.390 1.858 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3c(O)cccc3F)[C@H]2C1 ZINC001137832967 936417477 /nfs/dbraw/zinc/41/74/77/936417477.db2.gz OALDMTYMLIJFNS-VZJVUDMVSA-N 1 2 281.327 1.503 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3c(O)cccc3F)[C@H]2C1 ZINC001137832967 936417480 /nfs/dbraw/zinc/41/74/80/936417480.db2.gz OALDMTYMLIJFNS-VZJVUDMVSA-N 1 2 281.327 1.503 20 10 CDCDLO Oc1cccc(F)c1CN1CC[NH+](C2CC2)CC1 ZINC001137831931 936416698 /nfs/dbraw/zinc/41/66/98/936416698.db2.gz SVMTWGXIGVWBRR-UHFFFAOYSA-N 1 2 250.317 1.811 20 10 CDCDLO Oc1cccc(F)c1C[NH+]1CCN(C2CC2)CC1 ZINC001137831931 936416699 /nfs/dbraw/zinc/41/66/99/936416699.db2.gz SVMTWGXIGVWBRR-UHFFFAOYSA-N 1 2 250.317 1.811 20 10 CDCDLO Cc1c[nH]c(CCNC(=O)CCc2ccc(O)c(O)c2)[nH+]1 ZINC001182155972 917695695 /nfs/dbraw/zinc/69/56/95/917695695.db2.gz XXTHDSLFGDHEGD-UHFFFAOYSA-N 1 2 289.335 1.421 20 10 CDCDLO CCOC(=O)CN1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138122532 936473939 /nfs/dbraw/zinc/47/39/39/936473939.db2.gz LGKVNIIZMKAMKU-UHFFFAOYSA-N 1 2 296.342 1.212 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC(CO)C1 ZINC001139127073 936599935 /nfs/dbraw/zinc/59/99/35/936599935.db2.gz DSGFZSBMXSOEIV-UHFFFAOYSA-N 1 2 275.304 1.231 20 10 CDCDLO C[NH+](C)[C@H]1CCN(Cc2c(F)ccc(F)c2O)C1 ZINC001139685545 936635977 /nfs/dbraw/zinc/63/59/77/936635977.db2.gz NPJNPFYJLPKNHZ-VIFPVBQESA-N 1 2 256.296 1.806 20 10 CDCDLO CNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464418 936712230 /nfs/dbraw/zinc/71/22/30/936712230.db2.gz OXSRSUKKZPPEMU-UHFFFAOYSA-N 1 2 283.759 1.503 20 10 CDCDLO COC1(C)C[NH+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140014 936818611 /nfs/dbraw/zinc/81/86/11/936818611.db2.gz HHJNFXNDWOMZCA-UHFFFAOYSA-N 1 2 262.353 1.736 20 10 CDCDLO Cc1cccc(CNc2cc(-n3cncn3)nc(C)[nH+]2)c1O ZINC001160771136 938826152 /nfs/dbraw/zinc/82/61/52/938826152.db2.gz LZZASBSNLCKEEO-UHFFFAOYSA-N 1 2 296.334 1.992 20 10 CDCDLO CCOc1cccc(C[NH+]2CCN(C#N)CC2)c1O ZINC001203617360 939696798 /nfs/dbraw/zinc/69/67/98/939696798.db2.gz OSDOAZMQSDARMJ-UHFFFAOYSA-N 1 2 261.325 1.390 20 10 CDCDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203874584 939710276 /nfs/dbraw/zinc/71/02/76/939710276.db2.gz ANLWZFXYHCMHHY-CQSZACIVSA-N 1 2 265.309 1.625 20 10 CDCDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203874584 939710277 /nfs/dbraw/zinc/71/02/77/939710277.db2.gz ANLWZFXYHCMHHY-CQSZACIVSA-N 1 2 265.309 1.625 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCn3nccc3C2)cc1 ZINC001203937478 939715415 /nfs/dbraw/zinc/71/54/15/939715415.db2.gz RPRLHEPIIIPUNA-UHFFFAOYSA-N 1 2 256.353 1.965 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCn3nccc3C2)cc1 ZINC001203937478 939715416 /nfs/dbraw/zinc/71/54/16/939715416.db2.gz RPRLHEPIIIPUNA-UHFFFAOYSA-N 1 2 256.353 1.965 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CC[C@](F)(CO)C2)cc1Cl ZINC001232265943 943195002 /nfs/dbraw/zinc/19/50/02/943195002.db2.gz HNDVRMNMNHGAIO-CYBMUJFWSA-N 1 2 289.734 1.961 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CC[C@](F)(CO)C2)cc1Cl ZINC001232265943 943195007 /nfs/dbraw/zinc/19/50/07/943195007.db2.gz HNDVRMNMNHGAIO-CYBMUJFWSA-N 1 2 289.734 1.961 20 10 CDCDLO O=C1COC2(C1)CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233012272 943461280 /nfs/dbraw/zinc/46/12/80/943461280.db2.gz FYEOOFDBNBCLKU-UHFFFAOYSA-N 1 2 293.319 1.127 20 10 CDCDLO O=C1CCC[N@@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233483698 943592449 /nfs/dbraw/zinc/59/24/49/943592449.db2.gz IRJTWWLNIXMFKQ-UHFFFAOYSA-N 1 2 251.282 1.358 20 10 CDCDLO O=C1CCC[N@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233483698 943592451 /nfs/dbraw/zinc/59/24/51/943592451.db2.gz IRJTWWLNIXMFKQ-UHFFFAOYSA-N 1 2 251.282 1.358 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ncccn2)cc1O ZINC001233487933 943595165 /nfs/dbraw/zinc/59/51/65/943595165.db2.gz XNGAUOZZZYYZRP-NSHDSACASA-N 1 2 287.319 1.931 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2CCC[C@H]2c2ncccn2)cc1O ZINC001233487933 943595168 /nfs/dbraw/zinc/59/51/68/943595168.db2.gz XNGAUOZZZYYZRP-NSHDSACASA-N 1 2 287.319 1.931 20 10 CDCDLO CC(C)(C)[NH+]1CC(Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233949793 943699535 /nfs/dbraw/zinc/69/95/35/943699535.db2.gz NVAHXKWEUIWXMS-UHFFFAOYSA-N 1 2 289.335 1.903 20 10 CDCDLO CN1CC[N@H+](Cc2cc(F)ccc2O)C(C)(C)C1=O ZINC000180195955 357250741 /nfs/dbraw/zinc/25/07/41/357250741.db2.gz ROJQQNFQDOSHFN-UHFFFAOYSA-N 1 2 266.316 1.584 20 10 CDCDLO CN1CC[N@@H+](Cc2cc(F)ccc2O)C(C)(C)C1=O ZINC000180195955 357250746 /nfs/dbraw/zinc/25/07/46/357250746.db2.gz ROJQQNFQDOSHFN-UHFFFAOYSA-N 1 2 266.316 1.584 20 10 CDCDLO C[C@@H](O)CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000188733588 357931871 /nfs/dbraw/zinc/93/18/71/357931871.db2.gz FBKXZBPYZCONDC-LLVKDONJSA-N 1 2 268.332 1.030 20 10 CDCDLO Nc1ccc(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269263413 364169180 /nfs/dbraw/zinc/16/91/80/364169180.db2.gz XCHNOUMFBTUULY-ZDUSSCGKSA-N 1 2 284.363 1.941 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273378340 365491429 /nfs/dbraw/zinc/49/14/29/365491429.db2.gz HTRMRGKYHNBKHC-BXKDBHETSA-N 1 2 293.323 1.620 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H](C)O1 ZINC000283164231 368208674 /nfs/dbraw/zinc/20/86/74/368208674.db2.gz YLYNYZJUWDYNHU-BXKDBHETSA-N 1 2 283.299 1.294 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H](C)O1 ZINC000283164231 368208681 /nfs/dbraw/zinc/20/86/81/368208681.db2.gz YLYNYZJUWDYNHU-BXKDBHETSA-N 1 2 283.299 1.294 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC000248390582 377237748 /nfs/dbraw/zinc/23/77/48/377237748.db2.gz IIFKKOIMKRCMHG-NWDGAFQWSA-N 1 2 299.754 1.176 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC000248390582 377237758 /nfs/dbraw/zinc/23/77/58/377237758.db2.gz IIFKKOIMKRCMHG-NWDGAFQWSA-N 1 2 299.754 1.176 20 10 CDCDLO CN1C(=O)CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1=O ZINC000158803144 685016950 /nfs/dbraw/zinc/01/69/50/685016950.db2.gz IEZYJIWHVCJYTJ-JTQLQIEISA-N 1 2 282.727 1.283 20 10 CDCDLO CCOCC[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000179556229 391210788 /nfs/dbraw/zinc/21/07/88/391210788.db2.gz CTZDARHLIVOVDH-UHFFFAOYSA-N 1 2 264.369 1.546 20 10 CDCDLO C[C@H](C[S@](C)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000164408193 261350567 /nfs/dbraw/zinc/35/05/67/261350567.db2.gz VXUWULBFUOZIKV-VPTHRUTESA-N 1 2 261.774 1.902 20 10 CDCDLO CC(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191191658 278102595 /nfs/dbraw/zinc/10/25/95/278102595.db2.gz DEWLFRQCYULYMI-QMMMGPOBSA-N 1 2 272.295 1.847 20 10 CDCDLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)ccc1N(C)C ZINC000296390147 301272871 /nfs/dbraw/zinc/27/28/71/301272871.db2.gz YWGIGXKGUBPEIR-LBPRGKRZSA-N 1 2 261.369 1.381 20 10 CDCDLO Cc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)ccc1N(C)C ZINC000296390147 301272875 /nfs/dbraw/zinc/27/28/75/301272875.db2.gz YWGIGXKGUBPEIR-LBPRGKRZSA-N 1 2 261.369 1.381 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000180166125 329218195 /nfs/dbraw/zinc/21/81/95/329218195.db2.gz PFELBPUTWRXUER-GFCCVEGCSA-N 1 2 283.299 1.295 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000180166125 329218196 /nfs/dbraw/zinc/21/81/96/329218196.db2.gz PFELBPUTWRXUER-GFCCVEGCSA-N 1 2 283.299 1.295 20 10 CDCDLO CCC[N@H+](CC(=O)NC)Cc1cc(F)cc(C(C)=O)c1O ZINC000050151278 521544681 /nfs/dbraw/zinc/54/46/81/521544681.db2.gz NOJAOCOCYFUUQJ-UHFFFAOYSA-N 1 2 296.342 1.692 20 10 CDCDLO CCC[N@@H+](CC(=O)NC)Cc1cc(F)cc(C(C)=O)c1O ZINC000050151278 521544684 /nfs/dbraw/zinc/54/46/84/521544684.db2.gz NOJAOCOCYFUUQJ-UHFFFAOYSA-N 1 2 296.342 1.692 20 10 CDCDLO CCN1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC1=O ZINC000276281565 521612106 /nfs/dbraw/zinc/61/21/06/521612106.db2.gz ZKZOXBTYIKOOOE-UHFFFAOYSA-N 1 2 293.386 1.946 20 10 CDCDLO CCN1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC1=O ZINC000276281565 521612108 /nfs/dbraw/zinc/61/21/08/521612108.db2.gz ZKZOXBTYIKOOOE-UHFFFAOYSA-N 1 2 293.386 1.946 20 10 CDCDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCO1 ZINC000278591115 522359985 /nfs/dbraw/zinc/35/99/85/522359985.db2.gz GYEMRFQJSCGUCX-TZMCWYRMSA-N 1 2 296.323 1.584 20 10 CDCDLO CC[N@H+](Cc1c[nH]nn1)Cc1ccc(N(C)C)cc1 ZINC000734620252 575366883 /nfs/dbraw/zinc/36/68/83/575366883.db2.gz SEMKDZMQKAFKCB-UHFFFAOYSA-N 1 2 259.357 1.893 20 10 CDCDLO CC[N@@H+](Cc1c[nH]nn1)Cc1ccc(N(C)C)cc1 ZINC000734620252 575366885 /nfs/dbraw/zinc/36/68/85/575366885.db2.gz SEMKDZMQKAFKCB-UHFFFAOYSA-N 1 2 259.357 1.893 20 10 CDCDLO CC[N@H+](Cc1cn[nH]n1)Cc1ccc(N(C)C)cc1 ZINC000734620252 575366888 /nfs/dbraw/zinc/36/68/88/575366888.db2.gz SEMKDZMQKAFKCB-UHFFFAOYSA-N 1 2 259.357 1.893 20 10 CDCDLO CC[N@@H+](Cc1cn[nH]n1)Cc1ccc(N(C)C)cc1 ZINC000734620252 575366891 /nfs/dbraw/zinc/36/68/91/575366891.db2.gz SEMKDZMQKAFKCB-UHFFFAOYSA-N 1 2 259.357 1.893 20 10 CDCDLO CC[N@H+](Cc1cnn[nH]1)Cc1ccc(N(C)C)cc1 ZINC000734620252 575366877 /nfs/dbraw/zinc/36/68/77/575366877.db2.gz SEMKDZMQKAFKCB-UHFFFAOYSA-N 1 2 259.357 1.893 20 10 CDCDLO CC[N@@H+](Cc1cnn[nH]1)Cc1ccc(N(C)C)cc1 ZINC000734620252 575366880 /nfs/dbraw/zinc/36/68/80/575366880.db2.gz SEMKDZMQKAFKCB-UHFFFAOYSA-N 1 2 259.357 1.893 20 10 CDCDLO COc1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1C ZINC000769937653 575399784 /nfs/dbraw/zinc/39/97/84/575399784.db2.gz YNCDTAYQACMZAT-UHFFFAOYSA-N 1 2 287.367 1.690 20 10 CDCDLO C[C@H]([NH2+]CC1(CO)COC1)c1cc(F)cc(F)c1O ZINC000756761499 577003277 /nfs/dbraw/zinc/00/32/77/577003277.db2.gz QBQKTJSXWYBODJ-QMMMGPOBSA-N 1 2 273.279 1.330 20 10 CDCDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894908092 619138382 /nfs/dbraw/zinc/13/83/82/619138382.db2.gz XZZJWIMAHPXSQY-SNVBAGLBSA-N 1 2 256.252 1.120 20 10 CDCDLO NC(=O)[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894908092 619138384 /nfs/dbraw/zinc/13/83/84/619138384.db2.gz XZZJWIMAHPXSQY-SNVBAGLBSA-N 1 2 256.252 1.120 20 10 CDCDLO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]C2)c1[O-] ZINC000841045529 621588782 /nfs/dbraw/zinc/58/87/82/621588782.db2.gz XRVSLLSDQZPREZ-VIFPVBQESA-N 1 2 271.704 1.405 20 10 CDCDLO O=C(NCc1ccc(O)cc1O)[C@H]1CCc2c[nH+]cn2C1 ZINC000910944556 629125848 /nfs/dbraw/zinc/12/58/48/629125848.db2.gz OFMSRIRNPASZIT-NSHDSACASA-N 1 2 287.319 1.173 20 10 CDCDLO O=C(NCC[NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000708497802 685964908 /nfs/dbraw/zinc/96/49/08/685964908.db2.gz VDOZKVRWTHVBNX-UHFFFAOYSA-N 1 2 270.279 1.286 20 10 CDCDLO CN1CCN(C)[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708394008 685571800 /nfs/dbraw/zinc/57/18/00/685571800.db2.gz NOFQCGRIIJAVCS-GFCCVEGCSA-N 1 2 285.338 1.006 20 10 CDCDLO CN1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1=O ZINC000776230797 684428862 /nfs/dbraw/zinc/42/88/62/684428862.db2.gz AKXICCDEJFMNJL-LLVKDONJSA-N 1 2 286.734 1.895 20 10 CDCDLO NC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816521330 684798848 /nfs/dbraw/zinc/79/88/48/684798848.db2.gz MPOQVLQCYDTMJC-QMMMGPOBSA-N 1 2 287.722 1.427 20 10 CDCDLO CNC(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000840974400 684828869 /nfs/dbraw/zinc/82/88/69/684828869.db2.gz IYZTZEOXCBOPAD-UHFFFAOYSA-N 1 2 297.786 1.939 20 10 CDCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843434098 684955922 /nfs/dbraw/zinc/95/59/22/684955922.db2.gz HPJNXJDGEWEWJP-QWRGUYRKSA-N 1 2 299.754 1.401 20 10 CDCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843434098 684955927 /nfs/dbraw/zinc/95/59/27/684955927.db2.gz HPJNXJDGEWEWJP-QWRGUYRKSA-N 1 2 299.754 1.401 20 10 CDCDLO C[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000132400565 685055735 /nfs/dbraw/zinc/05/57/35/685055735.db2.gz MRFYOCBEOBIXPY-LLVKDONJSA-N 1 2 289.784 1.665 20 10 CDCDLO C[N@@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000132400565 685055750 /nfs/dbraw/zinc/05/57/50/685055750.db2.gz MRFYOCBEOBIXPY-LLVKDONJSA-N 1 2 289.784 1.665 20 10 CDCDLO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000798940140 685082875 /nfs/dbraw/zinc/08/28/75/685082875.db2.gz AOCPCIOHNFBHBI-WPRPVWTQSA-N 1 2 275.295 1.718 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)C1([NH+](C)C)CC1 ZINC000935946026 685838217 /nfs/dbraw/zinc/83/82/17/685838217.db2.gz UFLHCSINFPWXJQ-UHFFFAOYSA-N 1 2 283.368 1.588 20 10 CDCDLO CCn1nc(C)c(C[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000883150093 685848597 /nfs/dbraw/zinc/84/85/97/685848597.db2.gz UYWSKBRDNWUAGU-UHFFFAOYSA-N 1 2 282.294 1.880 20 10 CDCDLO COc1cccc(C[N@H+](C)C2(C[NH3+])CCC2)c1O ZINC000385333325 685924357 /nfs/dbraw/zinc/92/43/57/685924357.db2.gz QLOIIAYZGMAMMI-UHFFFAOYSA-N 1 2 250.342 1.714 20 10 CDCDLO COc1cccc(C[N@@H+](C)C2(C[NH3+])CCC2)c1O ZINC000385333325 685924360 /nfs/dbraw/zinc/92/43/60/685924360.db2.gz QLOIIAYZGMAMMI-UHFFFAOYSA-N 1 2 250.342 1.714 20 10 CDCDLO COc1ccc(C[NH+]2CCOCC2)c(O)c1OC ZINC000891389073 685979220 /nfs/dbraw/zinc/97/92/20/685979220.db2.gz AXRACBWFTPMCRE-UHFFFAOYSA-N 1 2 253.298 1.242 20 10 CDCDLO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(F)cc(F)c1O ZINC000834910206 686051704 /nfs/dbraw/zinc/05/17/04/686051704.db2.gz VUDBCQSYVHGBLM-XLKFXECMSA-N 1 2 284.306 1.990 20 10 CDCDLO C[C@@H](CC(N)=O)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816557205 686414232 /nfs/dbraw/zinc/41/42/32/686414232.db2.gz HQUJOZSWQLTRQF-LURJTMIESA-N 1 2 260.696 1.538 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1ccc(N(C)C)cc1C ZINC000840914579 686456950 /nfs/dbraw/zinc/45/69/50/686456950.db2.gz CDRFFTXFFYTALZ-UHFFFAOYSA-N 1 2 294.395 1.682 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1ccc(N(C)C)cc1C ZINC000840914579 686456963 /nfs/dbraw/zinc/45/69/63/686456963.db2.gz CDRFFTXFFYTALZ-UHFFFAOYSA-N 1 2 294.395 1.682 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399434 686829332 /nfs/dbraw/zinc/82/93/32/686829332.db2.gz JCGCMWGOTHFXPO-GFCCVEGCSA-N 1 2 280.368 1.625 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399434 686829333 /nfs/dbraw/zinc/82/93/33/686829333.db2.gz JCGCMWGOTHFXPO-GFCCVEGCSA-N 1 2 280.368 1.625 20 10 CDCDLO CN1C(=O)CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1=O ZINC000158803295 687165884 /nfs/dbraw/zinc/16/58/84/687165884.db2.gz IEZYJIWHVCJYTJ-SNVBAGLBSA-N 1 2 282.727 1.283 20 10 CDCDLO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ncn(C)n1 ZINC000391861879 687239572 /nfs/dbraw/zinc/23/95/72/687239572.db2.gz QGNCNBRMCBPJIW-MRVPVSSYSA-N 1 2 276.296 1.100 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c(O)c1 ZINC000783731234 687873781 /nfs/dbraw/zinc/87/37/81/687873781.db2.gz YXPAUPVZMYVVHA-LLVKDONJSA-N 1 2 278.352 1.453 20 10 CDCDLO CCOc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c(O)c1 ZINC000783731234 687873784 /nfs/dbraw/zinc/87/37/84/687873784.db2.gz YXPAUPVZMYVVHA-LLVKDONJSA-N 1 2 278.352 1.453 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1ccc(OC)cc1O ZINC000128603448 1175609040 /nfs/dbraw/zinc/60/90/40/1175609040.db2.gz BXTJIJWRAFJOFL-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1ccc(OC)cc1O ZINC000128603448 1175609046 /nfs/dbraw/zinc/60/90/46/1175609046.db2.gz BXTJIJWRAFJOFL-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1nnn(C)n1 ZINC000398065281 1187293972 /nfs/dbraw/zinc/29/39/72/1187293972.db2.gz HJNHYHLMRUJJIB-VHSXEESVSA-N 1 2 273.340 1.562 20 10 CDCDLO COc1cccc(CNc2[nH+]cnc3c2cnn3C)c1O ZINC000066812725 899592584 /nfs/dbraw/zinc/59/25/84/899592584.db2.gz JCUPIYCMWBCRBX-UHFFFAOYSA-N 1 2 285.307 1.690 20 10 CDCDLO C[NH+](C)C[C@H]1CN(Cc2c(F)ccc(F)c2O)CCO1 ZINC001139685810 901333696 /nfs/dbraw/zinc/33/36/96/901333696.db2.gz XYBZYSIXAQXKGU-JTQLQIEISA-N 1 2 286.322 1.433 20 10 CDCDLO Oc1c(F)cccc1C[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001138123983 936473876 /nfs/dbraw/zinc/47/38/76/936473876.db2.gz UPSUMFCSKHYBCS-AAEUAGOBSA-N 1 2 275.270 1.776 20 10 CDCDLO Oc1c(F)cccc1C[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001138123983 936473879 /nfs/dbraw/zinc/47/38/79/936473879.db2.gz UPSUMFCSKHYBCS-AAEUAGOBSA-N 1 2 275.270 1.776 20 10 CDCDLO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3cccc(F)c3O)[C@H]2C1 ZINC001138123676 936473997 /nfs/dbraw/zinc/47/39/97/936473997.db2.gz GPMNMGKQNVLEBD-BPNCWPANSA-N 1 2 281.327 1.503 20 10 CDCDLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3cccc(F)c3O)[C@H]2C1 ZINC001138123676 936473999 /nfs/dbraw/zinc/47/39/99/936473999.db2.gz GPMNMGKQNVLEBD-BPNCWPANSA-N 1 2 281.327 1.503 20 10 CDCDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137838689 923039542 /nfs/dbraw/zinc/03/95/42/923039542.db2.gz HPPVDNNZCNZBIZ-JTQLQIEISA-N 1 2 287.356 1.540 20 10 CDCDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137838689 923039556 /nfs/dbraw/zinc/03/95/56/923039556.db2.gz HPPVDNNZCNZBIZ-JTQLQIEISA-N 1 2 287.356 1.540 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC001142508541 937024862 /nfs/dbraw/zinc/02/48/62/937024862.db2.gz CLEDEZUZMARLGE-AWEZNQCLSA-N 1 2 285.290 1.662 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC001142508541 937024864 /nfs/dbraw/zinc/02/48/64/937024864.db2.gz CLEDEZUZMARLGE-AWEZNQCLSA-N 1 2 285.290 1.662 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCNC(=O)C2)c2ccccc21 ZINC001204232620 939745066 /nfs/dbraw/zinc/74/50/66/939745066.db2.gz GPPZGDSHRCVTGB-UHFFFAOYSA-N 1 2 283.375 1.838 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCNC(=O)C2)c2ccccc21 ZINC001204232620 939745068 /nfs/dbraw/zinc/74/50/68/939745068.db2.gz GPPZGDSHRCVTGB-UHFFFAOYSA-N 1 2 283.375 1.838 20 10 CDCDLO O=C1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCN1 ZINC001204320372 939755418 /nfs/dbraw/zinc/75/54/18/939755418.db2.gz VYALGMLOEVKAJV-UHFFFAOYSA-N 1 2 259.353 1.219 20 10 CDCDLO O=C1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCN1 ZINC001204320372 939755420 /nfs/dbraw/zinc/75/54/20/939755420.db2.gz VYALGMLOEVKAJV-UHFFFAOYSA-N 1 2 259.353 1.219 20 10 CDCDLO C[N@H+]1C[C@H]2CN(Cc3c(O)ccc(F)c3F)C[C@@H](C1)O2 ZINC001276470547 939769344 /nfs/dbraw/zinc/76/93/44/939769344.db2.gz OYTSWMZCUPYXLN-AOOOYVTPSA-N 1 2 284.306 1.185 20 10 CDCDLO C[N@@H+]1C[C@H]2CN(Cc3c(O)ccc(F)c3F)C[C@@H](C1)O2 ZINC001276470547 939769346 /nfs/dbraw/zinc/76/93/46/939769346.db2.gz OYTSWMZCUPYXLN-AOOOYVTPSA-N 1 2 284.306 1.185 20 10 CDCDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(N(C)C)cc2)C[N@@H+]1C ZINC001227939475 942245810 /nfs/dbraw/zinc/24/58/10/942245810.db2.gz WRQAWZXGWUGYNM-KGLIPLIRSA-N 1 2 278.352 1.377 20 10 CDCDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(N(C)C)cc2)C[N@H+]1C ZINC001227939475 942245813 /nfs/dbraw/zinc/24/58/13/942245813.db2.gz WRQAWZXGWUGYNM-KGLIPLIRSA-N 1 2 278.352 1.377 20 10 CDCDLO COc1cc(N(C)C)ccc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001231849455 943028973 /nfs/dbraw/zinc/02/89/73/943028973.db2.gz TZSYKABGNRGRHP-UHFFFAOYSA-N 1 2 293.386 1.599 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cc1Cl ZINC001231868527 943036961 /nfs/dbraw/zinc/03/69/61/943036961.db2.gz VMYVTNVKQVPRAR-CMPLNLGQSA-N 1 2 259.708 1.869 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cc1Cl ZINC001231868527 943036970 /nfs/dbraw/zinc/03/69/70/943036970.db2.gz VMYVTNVKQVPRAR-CMPLNLGQSA-N 1 2 259.708 1.869 20 10 CDCDLO CC(=O)N1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)[C@@H](C)C1 ZINC001232262440 943195342 /nfs/dbraw/zinc/19/53/42/943195342.db2.gz HSELYZSXBOXOBN-VIFPVBQESA-N 1 2 298.770 1.804 20 10 CDCDLO C[N@H+](Cc1cccnc1)Cc1cc(O)c(O)c(O)c1 ZINC001233009845 943460092 /nfs/dbraw/zinc/46/00/92/943460092.db2.gz DQXXJIJXAXQAQX-UHFFFAOYSA-N 1 2 260.293 1.830 20 10 CDCDLO C[N@@H+](Cc1cccnc1)Cc1cc(O)c(O)c(O)c1 ZINC001233009845 943460095 /nfs/dbraw/zinc/46/00/95/943460095.db2.gz DQXXJIJXAXQAQX-UHFFFAOYSA-N 1 2 260.293 1.830 20 10 CDCDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233454503 943587730 /nfs/dbraw/zinc/58/77/30/943587730.db2.gz WXGVYCQEMYNKFK-QMMMGPOBSA-N 1 2 288.269 1.731 20 10 CDCDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233454503 943587734 /nfs/dbraw/zinc/58/77/34/943587734.db2.gz WXGVYCQEMYNKFK-QMMMGPOBSA-N 1 2 288.269 1.731 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCCN(C)C(=O)C2)c(Cl)c1 ZINC001236800651 944574571 /nfs/dbraw/zinc/57/45/71/944574571.db2.gz AQKOVHPKQCHNGX-UHFFFAOYSA-N 1 2 298.770 1.718 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCCN(C)C(=O)C2)c(Cl)c1 ZINC001236800651 944574575 /nfs/dbraw/zinc/57/45/75/944574575.db2.gz AQKOVHPKQCHNGX-UHFFFAOYSA-N 1 2 298.770 1.718 20 10 CDCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCOC[C@H](O)C1 ZINC001237934690 945012233 /nfs/dbraw/zinc/01/22/33/945012233.db2.gz NBLWBFNKXYFWAO-SECBINFHSA-N 1 2 275.707 1.378 20 10 CDCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC001237934690 945012245 /nfs/dbraw/zinc/01/22/45/945012245.db2.gz NBLWBFNKXYFWAO-SECBINFHSA-N 1 2 275.707 1.378 20 10 CDCDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001308691329 956561951 /nfs/dbraw/zinc/56/19/51/956561951.db2.gz BQQZRDAOECFHET-BXGCZWRVSA-N 1 2 296.317 1.756 20 10 CDCDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(F)c(F)cc1O ZINC001308691329 956561960 /nfs/dbraw/zinc/56/19/60/956561960.db2.gz BQQZRDAOECFHET-BXGCZWRVSA-N 1 2 296.317 1.756 20 10 CDCDLO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179866365 357228340 /nfs/dbraw/zinc/22/83/40/357228340.db2.gz YNASPDCAQHADQE-LLVKDONJSA-N 1 2 273.329 1.150 20 10 CDCDLO C[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179866365 357228344 /nfs/dbraw/zinc/22/83/44/357228344.db2.gz YNASPDCAQHADQE-LLVKDONJSA-N 1 2 273.329 1.150 20 10 CDCDLO C[C@H]([NH2+]Cc1cnnn1C)c1cc([N+](=O)[O-])ccc1O ZINC000287167647 299324581 /nfs/dbraw/zinc/32/45/81/299324581.db2.gz BYWUIEYTZZIRON-QMMMGPOBSA-N 1 2 277.284 1.280 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1F ZINC000271307657 364979503 /nfs/dbraw/zinc/97/95/03/364979503.db2.gz WAHGQFOQHAAFMT-LBPRGKRZSA-N 1 2 292.358 1.101 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1F ZINC000271307657 364979510 /nfs/dbraw/zinc/97/95/10/364979510.db2.gz WAHGQFOQHAAFMT-LBPRGKRZSA-N 1 2 292.358 1.101 20 10 CDCDLO CCN(C)C(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000298365253 372092295 /nfs/dbraw/zinc/09/22/95/372092295.db2.gz APGAIUNCMWJKRQ-UHFFFAOYSA-N 1 2 291.395 1.296 20 10 CDCDLO OCCCN1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000295209136 378661437 /nfs/dbraw/zinc/66/14/37/378661437.db2.gz ZTOIXHOVTIENGS-CYBMUJFWSA-N 1 2 298.814 1.982 20 10 CDCDLO Cc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)ccc1N(C)C ZINC000296390146 391060993 /nfs/dbraw/zinc/06/09/93/391060993.db2.gz YWGIGXKGUBPEIR-GFCCVEGCSA-N 1 2 261.369 1.381 20 10 CDCDLO Cc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)ccc1N(C)C ZINC000296390146 391060998 /nfs/dbraw/zinc/06/09/98/391060998.db2.gz YWGIGXKGUBPEIR-GFCCVEGCSA-N 1 2 261.369 1.381 20 10 CDCDLO COCC[C@](C)(O)C[NH2+]Cc1cccc(Cl)c1O ZINC000182211016 391231677 /nfs/dbraw/zinc/23/16/77/391231677.db2.gz GYRTZDZITBJFIS-ZDUSSCGKSA-N 1 2 273.760 1.923 20 10 CDCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](C)O ZINC000281884208 391418578 /nfs/dbraw/zinc/41/85/78/391418578.db2.gz DFKCCUPVQNYURY-SECBINFHSA-N 1 2 287.743 1.401 20 10 CDCDLO Cc1cccc(C[N@@H+]2CC(F)(F)C[C@H]2CO)c1O ZINC000364846780 524386389 /nfs/dbraw/zinc/38/63/89/524386389.db2.gz VHFDMRSUQKIKPV-NSHDSACASA-N 1 2 257.280 1.903 20 10 CDCDLO Cc1cccc(C[N@H+]2CC(F)(F)C[C@H]2CO)c1O ZINC000364846780 524386396 /nfs/dbraw/zinc/38/63/96/524386396.db2.gz VHFDMRSUQKIKPV-NSHDSACASA-N 1 2 257.280 1.903 20 10 CDCDLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000895327970 619565034 /nfs/dbraw/zinc/56/50/34/619565034.db2.gz FONAWCWXPPWRDN-MFKMUULPSA-N 1 2 271.744 1.363 20 10 CDCDLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000895327970 619565036 /nfs/dbraw/zinc/56/50/36/619565036.db2.gz FONAWCWXPPWRDN-MFKMUULPSA-N 1 2 271.744 1.363 20 10 CDCDLO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000895328913 619567384 /nfs/dbraw/zinc/56/73/84/619567384.db2.gz HLPLKCCSVYVYDK-ISVAXAHUSA-N 1 2 289.734 1.502 20 10 CDCDLO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000895328913 619567391 /nfs/dbraw/zinc/56/73/91/619567391.db2.gz HLPLKCCSVYVYDK-ISVAXAHUSA-N 1 2 289.734 1.502 20 10 CDCDLO Oc1ccc(F)cc1C[N@@H+]1CCc2ncncc2C1 ZINC000895722021 619814495 /nfs/dbraw/zinc/81/44/95/619814495.db2.gz BJDCCNUAVQCXDQ-UHFFFAOYSA-N 1 2 259.284 1.880 20 10 CDCDLO Oc1ccc(F)cc1C[N@H+]1CCc2ncncc2C1 ZINC000895722021 619814497 /nfs/dbraw/zinc/81/44/97/619814497.db2.gz BJDCCNUAVQCXDQ-UHFFFAOYSA-N 1 2 259.284 1.880 20 10 CDCDLO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898192441 621388431 /nfs/dbraw/zinc/38/84/31/621388431.db2.gz JFPNALVNFDEGQA-CMPLNLGQSA-N 1 2 259.708 1.950 20 10 CDCDLO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898192441 621388434 /nfs/dbraw/zinc/38/84/34/621388434.db2.gz JFPNALVNFDEGQA-CMPLNLGQSA-N 1 2 259.708 1.950 20 10 CDCDLO Cn1ccnc1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000827885122 688426596 /nfs/dbraw/zinc/42/65/96/688426596.db2.gz QXVBUDTWHMWDHH-UHFFFAOYSA-N 1 2 290.342 1.587 20 10 CDCDLO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1nncn1C ZINC000840945249 692269608 /nfs/dbraw/zinc/26/96/08/692269608.db2.gz GHXBKBRUJKQOIU-UHFFFAOYSA-N 1 2 273.384 1.822 20 10 CDCDLO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1nncn1C ZINC000840945249 692269615 /nfs/dbraw/zinc/26/96/15/692269615.db2.gz GHXBKBRUJKQOIU-UHFFFAOYSA-N 1 2 273.384 1.822 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](OC)C2)cc1 ZINC000878970169 694540480 /nfs/dbraw/zinc/54/04/80/694540480.db2.gz JYHWOIUSWUAUFH-HNNXBMFYSA-N 1 2 264.369 1.947 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](OC)C2)cc1 ZINC000878970169 694540490 /nfs/dbraw/zinc/54/04/90/694540490.db2.gz JYHWOIUSWUAUFH-HNNXBMFYSA-N 1 2 264.369 1.947 20 10 CDCDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1ccccc1O ZINC000779032322 693055199 /nfs/dbraw/zinc/05/51/99/693055199.db2.gz DONLUFZTEYZKOK-ZDUSSCGKSA-N 1 2 281.352 1.791 20 10 CDCDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1ccccc1O ZINC000779032322 693055202 /nfs/dbraw/zinc/05/52/02/693055202.db2.gz DONLUFZTEYZKOK-ZDUSSCGKSA-N 1 2 281.352 1.791 20 10 CDCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(O)c(O)c1 ZINC000847590570 693351123 /nfs/dbraw/zinc/35/11/23/693351123.db2.gz ATKZOTCFVQBOJP-SECBINFHSA-N 1 2 275.308 1.316 20 10 CDCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(O)c(O)c1 ZINC000847590570 693351130 /nfs/dbraw/zinc/35/11/30/693351130.db2.gz ATKZOTCFVQBOJP-SECBINFHSA-N 1 2 275.308 1.316 20 10 CDCDLO OC/C=C\C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743661 694661986 /nfs/dbraw/zinc/66/19/86/694661986.db2.gz CXFMHPKZABBCAV-UPHRSURJSA-N 1 2 290.132 1.932 20 10 CDCDLO O=C(CCc1[nH]cc[nH+]1)NCCc1ccc(O)c(O)c1 ZINC000791220110 694775627 /nfs/dbraw/zinc/77/56/27/694775627.db2.gz GXFBPEZNMBCKDH-UHFFFAOYSA-N 1 2 275.308 1.112 20 10 CDCDLO C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001276009572 1166723431 /nfs/dbraw/zinc/72/34/31/1166723431.db2.gz YXFISUFATTVWCR-MFKMUULPSA-N 1 2 276.336 1.226 20 10 CDCDLO C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001276009572 1166723441 /nfs/dbraw/zinc/72/34/41/1166723441.db2.gz YXFISUFATTVWCR-MFKMUULPSA-N 1 2 276.336 1.226 20 10 CDCDLO C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001276009572 1166723450 /nfs/dbraw/zinc/72/34/50/1166723450.db2.gz YXFISUFATTVWCR-MFKMUULPSA-N 1 2 276.336 1.226 20 10 CDCDLO C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001276009572 1166723456 /nfs/dbraw/zinc/72/34/56/1166723456.db2.gz YXFISUFATTVWCR-MFKMUULPSA-N 1 2 276.336 1.226 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CCN(C(C)C)C(=O)C2)c1O ZINC000779884631 723076371 /nfs/dbraw/zinc/07/63/71/723076371.db2.gz ZKPIWYPOBOUOLV-UHFFFAOYSA-N 1 2 292.379 1.762 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CCN(C(C)C)C(=O)C2)c1O ZINC000779884631 723076373 /nfs/dbraw/zinc/07/63/73/723076373.db2.gz ZKPIWYPOBOUOLV-UHFFFAOYSA-N 1 2 292.379 1.762 20 10 CDCDLO COc1c(O)c(C[NH2+]Cc2cocn2)ccc1[N+](=O)[O-] ZINC000775027876 723228584 /nfs/dbraw/zinc/22/85/84/723228584.db2.gz MDFFABQJGUGMAE-UHFFFAOYSA-N 1 2 279.252 1.587 20 10 CDCDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1O ZINC000827940901 723615296 /nfs/dbraw/zinc/61/52/96/723615296.db2.gz KHYYSNXQPWZMPI-SNVBAGLBSA-N 1 2 259.309 1.925 20 10 CDCDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1O ZINC000827940901 723615297 /nfs/dbraw/zinc/61/52/97/723615297.db2.gz KHYYSNXQPWZMPI-SNVBAGLBSA-N 1 2 259.309 1.925 20 10 CDCDLO CN1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1=O ZINC001141074205 899552914 /nfs/dbraw/zinc/55/29/14/899552914.db2.gz AXNZMZHQFNLGLA-UHFFFAOYSA-N 1 2 299.418 1.659 20 10 CDCDLO CN1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1=O ZINC001141074205 899552921 /nfs/dbraw/zinc/55/29/21/899552921.db2.gz AXNZMZHQFNLGLA-UHFFFAOYSA-N 1 2 299.418 1.659 20 10 CDCDLO c1cc(N2CCOCC2)ccc1C[NH+]1CC2(CCO2)C1 ZINC001138498768 936542729 /nfs/dbraw/zinc/54/27/29/936542729.db2.gz DQUZFPHFYTVVAB-UHFFFAOYSA-N 1 2 274.364 1.498 20 10 CDCDLO COc1cc(O)c(C[N@H+]2C[C@@H](OC)[C@@H](F)C2)c(OC)c1 ZINC001141032359 936795681 /nfs/dbraw/zinc/79/56/81/936795681.db2.gz ZJZBZSABBJKNIJ-SMDDNHRTSA-N 1 2 285.315 1.578 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2C[C@@H](OC)[C@@H](F)C2)c(OC)c1 ZINC001141032359 936795684 /nfs/dbraw/zinc/79/56/84/936795684.db2.gz ZJZBZSABBJKNIJ-SMDDNHRTSA-N 1 2 285.315 1.578 20 10 CDCDLO Oc1cccc(F)c1C[NH+]1CCN(c2ncncn2)CC1 ZINC001137841859 923281866 /nfs/dbraw/zinc/28/18/66/923281866.db2.gz XXGDMJFSIDYJQX-UHFFFAOYSA-N 1 2 289.314 1.039 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1nnc2n1CCC2 ZINC000882885885 930092787 /nfs/dbraw/zinc/09/27/87/930092787.db2.gz SJOMVQJUXBJVQW-UHFFFAOYSA-N 1 2 280.278 1.498 20 10 CDCDLO CN1CCO[C@H]2C[N@H+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001275775312 932018575 /nfs/dbraw/zinc/01/85/75/932018575.db2.gz YXZUDJVZPKFQFI-JSGCOSHPSA-N 1 2 284.306 1.185 20 10 CDCDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001275775312 932018580 /nfs/dbraw/zinc/01/85/80/932018580.db2.gz YXZUDJVZPKFQFI-JSGCOSHPSA-N 1 2 284.306 1.185 20 10 CDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1CCCC1 ZINC001257341854 933187867 /nfs/dbraw/zinc/18/78/67/933187867.db2.gz KNOIMIPFLSIUDE-LBPRGKRZSA-N 1 2 279.336 1.714 20 10 CDCDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nnnn1C1CC1 ZINC000190546768 934523263 /nfs/dbraw/zinc/52/32/63/934523263.db2.gz PAJMQQPGKHRYRJ-SNVBAGLBSA-N 1 2 285.351 1.794 20 10 CDCDLO COc1cccc(C[N@H+](C)Cc2ncccn2)c1O ZINC001203584635 939694246 /nfs/dbraw/zinc/69/42/46/939694246.db2.gz FKPBYGDEFMJXHM-UHFFFAOYSA-N 1 2 259.309 1.823 20 10 CDCDLO COc1cccc(C[N@@H+](C)Cc2ncccn2)c1O ZINC001203584635 939694248 /nfs/dbraw/zinc/69/42/48/939694248.db2.gz FKPBYGDEFMJXHM-UHFFFAOYSA-N 1 2 259.309 1.823 20 10 CDCDLO COc1cc(CN2CCn3c[nH+]cc3C2)cc(O)c1O ZINC001204346331 939759557 /nfs/dbraw/zinc/75/95/57/939759557.db2.gz NBPIMVFFVRZOSM-UHFFFAOYSA-N 1 2 275.308 1.319 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCn3nccc3C2)c(O)c1 ZINC001232841569 943416999 /nfs/dbraw/zinc/41/69/99/943416999.db2.gz KFPYSCRIZCRNGO-UHFFFAOYSA-N 1 2 272.352 1.671 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCn3nccc3C2)c(O)c1 ZINC001232841569 943417000 /nfs/dbraw/zinc/41/70/00/943417000.db2.gz KFPYSCRIZCRNGO-UHFFFAOYSA-N 1 2 272.352 1.671 20 10 CDCDLO COc1cc(C)c(C[N@@H+]2CCn3nccc3C2)c(O)c1 ZINC001236812572 944579050 /nfs/dbraw/zinc/57/90/50/944579050.db2.gz BPBABLBPWWXEQE-UHFFFAOYSA-N 1 2 273.336 1.922 20 10 CDCDLO COc1cc(C)c(C[N@H+]2CCn3nccc3C2)c(O)c1 ZINC001236812572 944579054 /nfs/dbraw/zinc/57/90/54/944579054.db2.gz BPBABLBPWWXEQE-UHFFFAOYSA-N 1 2 273.336 1.922 20 10 CDCDLO CCOc1cccc(C[NH+]2CC(NC(=O)OC)C2)c1O ZINC001261297831 946044668 /nfs/dbraw/zinc/04/46/68/946044668.db2.gz QCRIRLBUSLVZTM-UHFFFAOYSA-N 1 2 280.324 1.331 20 10 CDCDLO CN(C)c1ccc(C=CC[NH2+]Cc2nc(CO)n[nH]2)cc1 ZINC001308558752 956547287 /nfs/dbraw/zinc/54/72/87/956547287.db2.gz XLPUMBDCFGCVGY-ARJAWSKDSA-N 1 2 287.367 1.166 20 10 CDCDLO CS(=O)(=O)CC[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000180230975 357253360 /nfs/dbraw/zinc/25/33/60/357253360.db2.gz YTMBGILYNJLHPU-UHFFFAOYSA-N 1 2 287.356 1.540 20 10 CDCDLO CS(=O)(=O)CC[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000180230975 357253366 /nfs/dbraw/zinc/25/33/66/357253366.db2.gz YTMBGILYNJLHPU-UHFFFAOYSA-N 1 2 287.356 1.540 20 10 CDCDLO CCN(CC)c1ccc(C[NH+]2CC(O)(COC)C2)cc1F ZINC000297429567 200187487 /nfs/dbraw/zinc/18/74/87/200187487.db2.gz FIDUCQOKKKTVOK-UHFFFAOYSA-N 1 2 296.386 1.865 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000123532593 360295825 /nfs/dbraw/zinc/29/58/25/360295825.db2.gz BYDSAYSXYGIZKO-CYBMUJFWSA-N 1 2 275.396 1.853 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000123532593 360295830 /nfs/dbraw/zinc/29/58/30/360295830.db2.gz BYDSAYSXYGIZKO-CYBMUJFWSA-N 1 2 275.396 1.853 20 10 CDCDLO COC[C@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000290224393 293112577 /nfs/dbraw/zinc/11/25/77/293112577.db2.gz RCUZQCPEJZDFDE-YUMQZZPRSA-N 1 2 261.268 1.328 20 10 CDCDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000377835095 329030883 /nfs/dbraw/zinc/03/08/83/329030883.db2.gz QTCATDGPWLXYNN-GFCCVEGCSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cc(OC)ccc1O ZINC000377835095 329030884 /nfs/dbraw/zinc/03/08/84/329030884.db2.gz QTCATDGPWLXYNN-GFCCVEGCSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)[C@H]([NH2+]Cc1cccc(OC)c1O)C1CC1 ZINC000276547289 523928698 /nfs/dbraw/zinc/92/86/98/523928698.db2.gz YQBRJGOORSKSCF-GFCCVEGCSA-N 1 2 265.309 1.442 20 10 CDCDLO O=C(c1c(F)ccc(O)c1O)N1CC[NH+](CC2CC2)CC1 ZINC000276664199 526577030 /nfs/dbraw/zinc/57/70/30/526577030.db2.gz YKCCTQMLBFNZNH-UHFFFAOYSA-N 1 2 294.326 1.405 20 10 CDCDLO C[C@@H]([NH2+]CCC(=O)N(C)C)c1cc(F)cc(F)c1O ZINC000756517885 576993434 /nfs/dbraw/zinc/99/34/34/576993434.db2.gz PVXRLHMADLBXCJ-MRVPVSSYSA-N 1 2 272.295 1.799 20 10 CDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ncn(C)n2)c1 ZINC000756779794 577004291 /nfs/dbraw/zinc/00/42/91/577004291.db2.gz MAHQNTRLYYDFLU-VIFPVBQESA-N 1 2 290.323 1.158 20 10 CDCDLO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC)c(O)c1 ZINC000796039581 696010379 /nfs/dbraw/zinc/01/03/79/696010379.db2.gz ONQRRBGSWZMDMQ-JTQLQIEISA-N 1 2 267.325 1.784 20 10 CDCDLO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC)c(O)c1 ZINC000796039581 696010374 /nfs/dbraw/zinc/01/03/74/696010374.db2.gz ONQRRBGSWZMDMQ-JTQLQIEISA-N 1 2 267.325 1.784 20 10 CDCDLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(N(C)C)cc1 ZINC000807274062 1162743425 /nfs/dbraw/zinc/74/34/25/1162743425.db2.gz HDVBSZVVPZXAKD-GFCCVEGCSA-N 1 2 286.379 1.906 20 10 CDCDLO C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)N(C)C ZINC001589956846 1173212097 /nfs/dbraw/zinc/21/20/97/1173212097.db2.gz DQTHWYVJNBNNID-ZJUUUORDSA-N 1 2 290.371 1.173 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CC12CC2)c1cccc(-c2nn[nH]n2)c1O ZINC001589954686 1173212141 /nfs/dbraw/zinc/21/21/41/1173212141.db2.gz INJPDAVAGZHMTG-KCJUWKMLSA-N 1 2 271.324 1.775 20 10 CDCDLO C[C@@H]([NH2+]Cc1ccnn1C)c1cccc(-c2nn[nH]n2)c1O ZINC001603670391 1175592156 /nfs/dbraw/zinc/59/21/56/1175592156.db2.gz GSFSAERXCOBZBT-SECBINFHSA-N 1 2 299.338 1.157 20 10 CDCDLO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ncn(C)n1 ZINC000391861883 724422075 /nfs/dbraw/zinc/42/20/75/724422075.db2.gz QGNCNBRMCBPJIW-QMMMGPOBSA-N 1 2 276.296 1.100 20 10 CDCDLO CCN1C(=O)/C(=C\c2c[nH+]c(N(C)C)n2C)SC1=S ZINC000840713768 723724781 /nfs/dbraw/zinc/72/47/81/723724781.db2.gz VIYGCYLSQMRBIQ-RMKNXTFCSA-N 1 2 296.421 1.707 20 10 CDCDLO COC(=O)[C@H]1CN(Cc2ccc(C)cc2O)CC[N@H+](C)C1 ZINC000877587864 723736226 /nfs/dbraw/zinc/73/62/26/723736226.db2.gz SEABURJFVSTREA-CQSZACIVSA-N 1 2 292.379 1.237 20 10 CDCDLO COC(=O)[C@H]1CN(Cc2ccc(C)cc2O)CC[N@@H+](C)C1 ZINC000877587864 723736227 /nfs/dbraw/zinc/73/62/27/723736227.db2.gz SEABURJFVSTREA-CQSZACIVSA-N 1 2 292.379 1.237 20 10 CDCDLO COc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)c(O)c1 ZINC000846062012 723800881 /nfs/dbraw/zinc/80/08/81/723800881.db2.gz WMZHBSVYGOHWMZ-NSHDSACASA-N 1 2 289.335 1.865 20 10 CDCDLO C[N@H+](Cc1c(O)ccc(Cl)c1F)[C@]1(CO)CCOC1 ZINC000862426309 725404225 /nfs/dbraw/zinc/40/42/25/725404225.db2.gz DKDIAMHAPQHYFQ-ZDUSSCGKSA-N 1 2 289.734 1.768 20 10 CDCDLO C[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@]1(CO)CCOC1 ZINC000862426309 725404226 /nfs/dbraw/zinc/40/42/26/725404226.db2.gz DKDIAMHAPQHYFQ-ZDUSSCGKSA-N 1 2 289.734 1.768 20 10 CDCDLO CCOc1cccc(C[N@H+](C)CC(=O)OC)c1O ZINC000179394542 724482603 /nfs/dbraw/zinc/48/26/03/724482603.db2.gz YGVIIBYQQYYOHE-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO CCOc1cccc(C[N@@H+](C)CC(=O)OC)c1O ZINC000179394542 724482608 /nfs/dbraw/zinc/48/26/08/724482608.db2.gz YGVIIBYQQYYOHE-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO Cn1cnnc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708535545 723739033 /nfs/dbraw/zinc/73/90/33/723739033.db2.gz LWALKHCCHUMNIF-UHFFFAOYSA-N 1 2 254.240 1.089 20 10 CDCDLO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1F ZINC000862252848 725191885 /nfs/dbraw/zinc/19/18/85/725191885.db2.gz HVSMBXYHMZJYOF-JTQLQIEISA-N 1 2 298.337 1.273 20 10 CDCDLO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](NC(N)=O)C2)cc1F ZINC000862252848 725191886 /nfs/dbraw/zinc/19/18/86/725191886.db2.gz HVSMBXYHMZJYOF-JTQLQIEISA-N 1 2 298.337 1.273 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)[NH+](C)C ZINC000935945107 725231966 /nfs/dbraw/zinc/23/19/66/725231966.db2.gz KWSOOBGHMWWBPN-JTQLQIEISA-N 1 2 271.357 1.444 20 10 CDCDLO Cc1ccc(O)c(C[NH2+]Cc2nnn(C(C)(C)C)n2)c1 ZINC000848564567 725278362 /nfs/dbraw/zinc/27/83/62/725278362.db2.gz OODUSNVGWOQVCG-UHFFFAOYSA-N 1 2 275.356 1.732 20 10 CDCDLO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000124860755 726001488 /nfs/dbraw/zinc/00/14/88/726001488.db2.gz PKTPGPNTZGHIJP-JTQLQIEISA-N 1 2 289.784 1.712 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c(O)c1 ZINC000783731239 907550510 /nfs/dbraw/zinc/55/05/10/907550510.db2.gz YXPAUPVZMYVVHA-NSHDSACASA-N 1 2 278.352 1.453 20 10 CDCDLO CCOc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c(O)c1 ZINC000783731239 907550523 /nfs/dbraw/zinc/55/05/23/907550523.db2.gz YXPAUPVZMYVVHA-NSHDSACASA-N 1 2 278.352 1.453 20 10 CDCDLO Cn1ncc2c1C[N@H+](Cc1cccc(F)c1O)CC2 ZINC001138129721 936475958 /nfs/dbraw/zinc/47/59/58/936475958.db2.gz SQKOHWHFGAEHLU-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Cn1ncc2c1C[N@@H+](Cc1cccc(F)c1O)CC2 ZINC001138129721 936475960 /nfs/dbraw/zinc/47/59/60/936475960.db2.gz SQKOHWHFGAEHLU-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO COC[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140060426 936675371 /nfs/dbraw/zinc/67/53/71/936675371.db2.gz VOGWQMNQBMZCSN-GFCCVEGCSA-N 1 2 255.289 1.379 20 10 CDCDLO COC[C@@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC001140060426 936675373 /nfs/dbraw/zinc/67/53/73/936675373.db2.gz VOGWQMNQBMZCSN-GFCCVEGCSA-N 1 2 255.289 1.379 20 10 CDCDLO CNC(=O)NC1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140585238 936728389 /nfs/dbraw/zinc/72/83/89/936728389.db2.gz AQJYXJKXXJVTBO-UHFFFAOYSA-N 1 2 299.321 1.564 20 10 CDCDLO C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565967 942930064 /nfs/dbraw/zinc/93/00/64/942930064.db2.gz FYFCJWGWLZACDP-GXTWGEPZSA-N 1 2 290.363 1.616 20 10 CDCDLO C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565967 942930068 /nfs/dbraw/zinc/93/00/68/942930068.db2.gz FYFCJWGWLZACDP-GXTWGEPZSA-N 1 2 290.363 1.616 20 10 CDCDLO C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565967 942930071 /nfs/dbraw/zinc/93/00/71/942930071.db2.gz FYFCJWGWLZACDP-GXTWGEPZSA-N 1 2 290.363 1.616 20 10 CDCDLO C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565967 942930076 /nfs/dbraw/zinc/93/00/76/942930076.db2.gz FYFCJWGWLZACDP-GXTWGEPZSA-N 1 2 290.363 1.616 20 10 CDCDLO C[C@@H]1CN(Cc2c(F)ccc(F)c2O)C[C@@H](C)[NH2+]1 ZINC001236575900 944511969 /nfs/dbraw/zinc/51/19/69/944511969.db2.gz BNHHUNGHVBPLAL-RKDXNWHRSA-N 1 2 256.296 1.853 20 10 CDCDLO COC[C@H]1COCC[N@@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237683366 944923699 /nfs/dbraw/zinc/92/36/99/944923699.db2.gz GYRSDARPIJZOCN-LBPRGKRZSA-N 1 2 297.351 1.257 20 10 CDCDLO COC[C@H]1COCC[N@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237683366 944923705 /nfs/dbraw/zinc/92/37/05/944923705.db2.gz GYRSDARPIJZOCN-LBPRGKRZSA-N 1 2 297.351 1.257 20 10 CDCDLO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001605005315 1163412497 /nfs/dbraw/zinc/41/24/97/1163412497.db2.gz GMKMCCCSFZLUIB-BBBLOLIVSA-N 1 2 291.355 1.646 20 10 CDCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000188613632 357917510 /nfs/dbraw/zinc/91/75/10/357917510.db2.gz UREQYHPJCYFKLL-GXSJLCMTSA-N 1 2 285.727 1.154 20 10 CDCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000188613632 357917513 /nfs/dbraw/zinc/91/75/13/357917513.db2.gz UREQYHPJCYFKLL-GXSJLCMTSA-N 1 2 285.727 1.154 20 10 CDCDLO CCOC(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179868850 365000618 /nfs/dbraw/zinc/00/06/18/365000618.db2.gz BPTDYZLZMNDGSO-UHFFFAOYSA-N 1 2 282.315 1.805 20 10 CDCDLO COCCN1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000271856236 365002450 /nfs/dbraw/zinc/00/24/50/365002450.db2.gz UZRDZSHURSJBBA-GFCCVEGCSA-N 1 2 284.787 1.856 20 10 CDCDLO C[C@H](O)CN1CC[N@H+](Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000284278510 368509723 /nfs/dbraw/zinc/50/97/23/368509723.db2.gz HKNBGAHIQMJJRL-NEPJUHHUSA-N 1 2 282.359 1.418 20 10 CDCDLO C[C@H](O)CN1CC[N@@H+](Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000284278510 368509727 /nfs/dbraw/zinc/50/97/27/368509727.db2.gz HKNBGAHIQMJJRL-NEPJUHHUSA-N 1 2 282.359 1.418 20 10 CDCDLO CCc1nnc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000295929787 371520556 /nfs/dbraw/zinc/52/05/56/371520556.db2.gz FPEJGFCFWWDDIM-UHFFFAOYSA-N 1 2 277.347 1.862 20 10 CDCDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(N(C)C)cc1 ZINC000090969765 377856146 /nfs/dbraw/zinc/85/61/46/377856146.db2.gz MKHYGWNAFVDPAH-LLVKDONJSA-N 1 2 259.357 1.732 20 10 CDCDLO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276854550 292858361 /nfs/dbraw/zinc/85/83/61/292858361.db2.gz BLWBSIYFKSKLJA-YUMQZZPRSA-N 1 2 261.268 1.328 20 10 CDCDLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276145050 285576858 /nfs/dbraw/zinc/57/68/58/285576858.db2.gz CXVJVJNPRVKORC-SFYZADRCSA-N 1 2 272.295 1.846 20 10 CDCDLO COc1cccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c1O ZINC000271189260 295297994 /nfs/dbraw/zinc/29/79/94/295297994.db2.gz KWRVMLMRPMGUBG-BFKGZMGPSA-N 1 2 283.393 1.742 20 10 CDCDLO COc1cccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c1O ZINC000271189260 295297996 /nfs/dbraw/zinc/29/79/96/295297996.db2.gz KWRVMLMRPMGUBG-BFKGZMGPSA-N 1 2 283.393 1.742 20 10 CDCDLO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000290257250 524750404 /nfs/dbraw/zinc/75/04/04/524750404.db2.gz WGRZYDOCUWWCIF-GZMMTYOYSA-N 1 2 289.784 1.568 20 10 CDCDLO Cc1[nH+]c[nH]c1CC(=O)N(C)Cc1ccccc1O ZINC000278901218 525458026 /nfs/dbraw/zinc/45/80/26/525458026.db2.gz PTTGOOFCEOXEHT-UHFFFAOYSA-N 1 2 259.309 1.625 20 10 CDCDLO CN(Cc1[nH+]ccn1C)C(=O)C1=CC(=O)CS1 ZINC000734178407 575160360 /nfs/dbraw/zinc/16/03/60/575160360.db2.gz SJQSIDTWZSULBS-UHFFFAOYSA-N 1 2 251.311 1.459 20 10 CDCDLO CCOCC[NH+]1CCN(Cc2c(O)cccc2OC)CC1 ZINC000768243287 576266444 /nfs/dbraw/zinc/26/64/44/576266444.db2.gz JVHSJBQBHVSZBC-UHFFFAOYSA-N 1 2 294.395 1.555 20 10 CDCDLO Cc1ccc(O)c(CN2CC[NH+](CC[S@@](C)=O)CC2)c1 ZINC000769480763 576357543 /nfs/dbraw/zinc/35/75/43/576357543.db2.gz PCFZHSHFCYIYFG-HXUWFJFHSA-N 1 2 296.436 1.197 20 10 CDCDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894536532 618954680 /nfs/dbraw/zinc/95/46/80/618954680.db2.gz AFIPUCDRUGJVKE-WLTAIBSBSA-N 1 2 296.317 1.756 20 10 CDCDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894536532 618954685 /nfs/dbraw/zinc/95/46/85/618954685.db2.gz AFIPUCDRUGJVKE-WLTAIBSBSA-N 1 2 296.317 1.756 20 10 CDCDLO CC[N@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCNC1=O ZINC000894664708 619007979 /nfs/dbraw/zinc/00/79/79/619007979.db2.gz YZPWOZPALBWHHL-NSHDSACASA-N 1 2 270.279 1.381 20 10 CDCDLO CC[N@@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCNC1=O ZINC000894664708 619007980 /nfs/dbraw/zinc/00/79/80/619007980.db2.gz YZPWOZPALBWHHL-NSHDSACASA-N 1 2 270.279 1.381 20 10 CDCDLO O=C1NCCN1CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895814557 619858347 /nfs/dbraw/zinc/85/83/47/619858347.db2.gz PAXAWRKWSXDCHB-UHFFFAOYSA-N 1 2 287.722 1.300 20 10 CDCDLO O=C(NCc1ccc(O)cc1O)[C@H]1CCn2cc[nH+]c2C1 ZINC000910944122 629125137 /nfs/dbraw/zinc/12/51/37/629125137.db2.gz KVVCRQLNNVNQRK-JTQLQIEISA-N 1 2 287.319 1.173 20 10 CDCDLO COCC[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001605080200 1163445059 /nfs/dbraw/zinc/44/50/59/1163445059.db2.gz WSYWFGLONDFYSQ-NXEZZACHSA-N 1 2 291.355 1.648 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589973226 1173219811 /nfs/dbraw/zinc/21/98/11/1173219811.db2.gz DVBYDKQENFLRAE-NXEZZACHSA-N 1 2 289.339 1.402 20 10 CDCDLO CCC[N@H+](CC(N)=O)Cc1cc(Cl)c(F)cc1O ZINC000816616619 726100538 /nfs/dbraw/zinc/10/05/38/726100538.db2.gz BHORCZKBAKVWOX-UHFFFAOYSA-N 1 2 274.723 1.882 20 10 CDCDLO CCC[N@@H+](CC(N)=O)Cc1cc(Cl)c(F)cc1O ZINC000816616619 726100541 /nfs/dbraw/zinc/10/05/41/726100541.db2.gz BHORCZKBAKVWOX-UHFFFAOYSA-N 1 2 274.723 1.882 20 10 CDCDLO COc1cccc(C[N@@H+](C)Cc2cn(C)nn2)c1O ZINC000827305359 726939550 /nfs/dbraw/zinc/93/95/50/726939550.db2.gz RPQDLWLBEZGPDI-UHFFFAOYSA-N 1 2 262.313 1.161 20 10 CDCDLO CCN1C[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1=O ZINC000834890731 726157517 /nfs/dbraw/zinc/15/75/17/726157517.db2.gz PBBCAAICPHGWJP-WPRPVWTQSA-N 1 2 284.306 1.942 20 10 CDCDLO Cn1nncc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809783848 726278244 /nfs/dbraw/zinc/27/82/44/726278244.db2.gz NFJQUNFNUAOQLG-UHFFFAOYSA-N 1 2 270.695 1.603 20 10 CDCDLO COc1cccc(C[N@H+](C)Cc2cn(C)nn2)c1O ZINC000827305359 726939547 /nfs/dbraw/zinc/93/95/47/726939547.db2.gz RPQDLWLBEZGPDI-UHFFFAOYSA-N 1 2 262.313 1.161 20 10 CDCDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H](CO)O1 ZINC000249509479 727336827 /nfs/dbraw/zinc/33/68/27/727336827.db2.gz ZKWDGRYFFMKPII-CABZTGNLSA-N 1 2 255.289 1.113 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H](CO)O1 ZINC000249509479 727336831 /nfs/dbraw/zinc/33/68/31/727336831.db2.gz ZKWDGRYFFMKPII-CABZTGNLSA-N 1 2 255.289 1.113 20 10 CDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843434100 727385050 /nfs/dbraw/zinc/38/50/50/727385050.db2.gz HPJNXJDGEWEWJP-WDEREUQCSA-N 1 2 299.754 1.401 20 10 CDCDLO COc1ccc(O)c(C[NH2+]Cc2nc(N(C)C)no2)c1 ZINC000191898765 727853478 /nfs/dbraw/zinc/85/34/78/727853478.db2.gz QQTSOWFWOBCNMX-UHFFFAOYSA-N 1 2 278.312 1.140 20 10 CDCDLO Nc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000848393221 728132227 /nfs/dbraw/zinc/13/22/27/728132227.db2.gz VNZYESIXNBHPEP-JTQLQIEISA-N 1 2 256.309 1.666 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1ccc2c(c1)CCCN2C ZINC001138356087 936526158 /nfs/dbraw/zinc/52/61/58/936526158.db2.gz HGZHSYPQKQSGRD-UHFFFAOYSA-N 1 2 262.353 1.674 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1ccc2c(c1)CCCN2C ZINC001138356087 936526160 /nfs/dbraw/zinc/52/61/60/936526160.db2.gz HGZHSYPQKQSGRD-UHFFFAOYSA-N 1 2 262.353 1.674 20 10 CDCDLO C[C@H]1C[C@@H](CO)[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582380 936726954 /nfs/dbraw/zinc/72/69/54/936726954.db2.gz HCOKGOIMFQPJDY-WPRPVWTQSA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@H]1C[C@@H](CO)[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582380 936726956 /nfs/dbraw/zinc/72/69/56/936726956.db2.gz HCOKGOIMFQPJDY-WPRPVWTQSA-N 1 2 257.280 1.873 20 10 CDCDLO O=C1NCC[C@@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140582526 936727298 /nfs/dbraw/zinc/72/72/98/936727298.db2.gz JOSZRQSLVRQVEE-AWEZNQCLSA-N 1 2 282.290 1.382 20 10 CDCDLO O=C1NCC[C@@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140582526 936727300 /nfs/dbraw/zinc/72/73/00/936727300.db2.gz JOSZRQSLVRQVEE-AWEZNQCLSA-N 1 2 282.290 1.382 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC(OC)C2)c(OC)c1 ZINC001141032324 936796057 /nfs/dbraw/zinc/79/60/57/936796057.db2.gz YICXSJILPRMQNQ-UHFFFAOYSA-N 1 2 253.298 1.240 20 10 CDCDLO OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203880808 925182990 /nfs/dbraw/zinc/18/29/90/925182990.db2.gz ISJDBRLCHDFSCO-ZDUSSCGKSA-N 1 2 289.335 1.061 20 10 CDCDLO OC[C@@H]1CCn2nccc2C[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203880808 925182995 /nfs/dbraw/zinc/18/29/95/925182995.db2.gz ISJDBRLCHDFSCO-ZDUSSCGKSA-N 1 2 289.335 1.061 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862396415 929410922 /nfs/dbraw/zinc/41/09/22/929410922.db2.gz PDAMANMSDUJPTG-GFCCVEGCSA-N 1 2 297.349 1.741 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862396415 929410929 /nfs/dbraw/zinc/41/09/29/929410929.db2.gz PDAMANMSDUJPTG-GFCCVEGCSA-N 1 2 297.349 1.741 20 10 CDCDLO COc1cccc(CN2CCC(F)(F)[C@@H]([NH3+])C2)c1O ZINC001206656961 937657193 /nfs/dbraw/zinc/65/71/93/937657193.db2.gz NQDVENZFIWPOFD-NSHDSACASA-N 1 2 272.295 1.569 20 10 CDCDLO C[C@]1(CO)CC[N@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC001231910981 943051363 /nfs/dbraw/zinc/05/13/63/943051363.db2.gz XNHNRNCAOVGOAH-TZMCWYRMSA-N 1 2 285.771 1.611 20 10 CDCDLO C[C@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC001231910981 943051370 /nfs/dbraw/zinc/05/13/70/943051370.db2.gz XNHNRNCAOVGOAH-TZMCWYRMSA-N 1 2 285.771 1.611 20 10 CDCDLO C[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCO1 ZINC001232258580 943191149 /nfs/dbraw/zinc/19/11/49/943191149.db2.gz ATQOINMVVJKUPN-QMMMGPOBSA-N 1 2 257.717 1.972 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCO1 ZINC001232258580 943191156 /nfs/dbraw/zinc/19/11/56/943191156.db2.gz ATQOINMVVJKUPN-QMMMGPOBSA-N 1 2 257.717 1.972 20 10 CDCDLO O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001353952189 968366219 /nfs/dbraw/zinc/36/62/19/968366219.db2.gz GKKUAMAHNFWLQD-CYBMUJFWSA-N 1 2 287.319 1.130 20 10 CDCDLO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(F)c(F)c1O ZINC000280181535 299275748 /nfs/dbraw/zinc/27/57/48/299275748.db2.gz AFTHTDCMROHIIE-LURJTMIESA-N 1 2 294.248 1.702 20 10 CDCDLO C[C@H]([NH2+]CCOCCO)c1ccc(F)c(F)c1O ZINC000191186797 299299697 /nfs/dbraw/zinc/29/96/97/299299697.db2.gz XZHLYJWKPZMHMX-QMMMGPOBSA-N 1 2 261.268 1.330 20 10 CDCDLO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cccc(Cl)c1O ZINC000228094322 359932087 /nfs/dbraw/zinc/93/20/87/359932087.db2.gz CKYGOYUEVKTCQZ-NOZJJQNGSA-N 1 2 271.744 1.675 20 10 CDCDLO CC(C)S(=O)(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000290222509 367048501 /nfs/dbraw/zinc/04/85/01/367048501.db2.gz RWZWIUWHLJRSKM-UHFFFAOYSA-N 1 2 291.800 1.958 20 10 CDCDLO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000281797534 367688430 /nfs/dbraw/zinc/68/84/30/367688430.db2.gz YECDCEUIRSOAJK-UWVGGRQHSA-N 1 2 284.312 1.348 20 10 CDCDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000282674055 367985563 /nfs/dbraw/zinc/98/55/63/367985563.db2.gz HTQDQZWDUQOFQC-SECBINFHSA-N 1 2 289.784 1.665 20 10 CDCDLO C[N@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1O ZINC000132595761 390932707 /nfs/dbraw/zinc/93/27/07/390932707.db2.gz NTQNZPSBAVVPAU-UHFFFAOYSA-N 1 2 263.124 1.616 20 10 CDCDLO C[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1O ZINC000132595761 390932708 /nfs/dbraw/zinc/93/27/08/390932708.db2.gz NTQNZPSBAVVPAU-UHFFFAOYSA-N 1 2 263.124 1.616 20 10 CDCDLO C[N@H+](CC(=O)N1CCOCC1)Cc1c(O)cccc1Cl ZINC000162348440 261278219 /nfs/dbraw/zinc/27/82/19/261278219.db2.gz WVQMMIWDSOUXOJ-UHFFFAOYSA-N 1 2 298.770 1.336 20 10 CDCDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1c(O)cccc1Cl ZINC000162348440 261278222 /nfs/dbraw/zinc/27/82/22/261278222.db2.gz WVQMMIWDSOUXOJ-UHFFFAOYSA-N 1 2 298.770 1.336 20 10 CDCDLO CN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)c2cccnc21 ZINC000492767169 332412745 /nfs/dbraw/zinc/41/27/45/332412745.db2.gz NOFHXBZVBLDRBO-SNAWJCMRSA-N 1 2 269.308 1.301 20 10 CDCDLO CCOc1cccc(C[NH2+][C@@H](C)C(=O)OC)c1O ZINC000037074012 521368979 /nfs/dbraw/zinc/36/89/79/521368979.db2.gz XLMUSVGXPWMJSH-VIFPVBQESA-N 1 2 253.298 1.442 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCNC2=O)c1O ZINC000759435489 576389546 /nfs/dbraw/zinc/38/95/46/576389546.db2.gz GZVHLAAGEUGRIB-LBPRGKRZSA-N 1 2 280.299 1.054 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCNC2=O)c1O ZINC000759435489 576389549 /nfs/dbraw/zinc/38/95/49/576389549.db2.gz GZVHLAAGEUGRIB-LBPRGKRZSA-N 1 2 280.299 1.054 20 10 CDCDLO COc1ccc(C[NH2+]CC(F)(F)CO)c(O)c1OC ZINC000893643659 617780907 /nfs/dbraw/zinc/78/09/07/617780907.db2.gz UNCDIISGQCRXHX-UHFFFAOYSA-N 1 2 277.267 1.127 20 10 CDCDLO C[N@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCCCNC1=O ZINC000893983821 618237276 /nfs/dbraw/zinc/23/72/76/618237276.db2.gz GJZXYAJOLHNGJI-LBPRGKRZSA-N 1 2 284.306 1.771 20 10 CDCDLO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCCCNC1=O ZINC000893983821 618237277 /nfs/dbraw/zinc/23/72/77/618237277.db2.gz GJZXYAJOLHNGJI-LBPRGKRZSA-N 1 2 284.306 1.771 20 10 CDCDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895114520 619305187 /nfs/dbraw/zinc/30/51/87/619305187.db2.gz MEMICHWLAMKMLG-LPEHRKFASA-N 1 2 292.335 1.218 20 10 CDCDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895114520 619305191 /nfs/dbraw/zinc/30/51/91/619305191.db2.gz MEMICHWLAMKMLG-LPEHRKFASA-N 1 2 292.335 1.218 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589973228 1173219157 /nfs/dbraw/zinc/21/91/57/1173219157.db2.gz DVBYDKQENFLRAE-VHSXEESVSA-N 1 2 289.339 1.402 20 10 CDCDLO C[C@@H]([NH2+]Cc1cnn(C)n1)c1c(O)cccc1F ZINC000886609268 729096948 /nfs/dbraw/zinc/09/69/48/729096948.db2.gz PVZDDSATAYFGCG-MRVPVSSYSA-N 1 2 250.277 1.511 20 10 CDCDLO CO[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000878970198 728475428 /nfs/dbraw/zinc/47/54/28/728475428.db2.gz KFPSYRUUJKDADX-CQSZACIVSA-N 1 2 250.342 1.557 20 10 CDCDLO CO[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000878970198 728475431 /nfs/dbraw/zinc/47/54/31/728475431.db2.gz KFPSYRUUJKDADX-CQSZACIVSA-N 1 2 250.342 1.557 20 10 CDCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@]1(CO)CCOC1 ZINC000862426784 728548565 /nfs/dbraw/zinc/54/85/65/728548565.db2.gz OHQCHGUXPCFFRY-CYBMUJFWSA-N 1 2 289.734 1.768 20 10 CDCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@]1(CO)CCOC1 ZINC000862426784 728548568 /nfs/dbraw/zinc/54/85/68/728548568.db2.gz OHQCHGUXPCFFRY-CYBMUJFWSA-N 1 2 289.734 1.768 20 10 CDCDLO Nc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000857845219 729371931 /nfs/dbraw/zinc/37/19/31/729371931.db2.gz ZXZOHYIKFLWJFZ-SNVBAGLBSA-N 1 2 256.309 1.666 20 10 CDCDLO C[C@@](CO)([NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000883034439 729729578 /nfs/dbraw/zinc/72/95/78/729729578.db2.gz UXDFLFJUBFKBCY-ZDUSSCGKSA-N 1 2 257.280 1.921 20 10 CDCDLO C[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000091814872 729946965 /nfs/dbraw/zinc/94/69/65/729946965.db2.gz HBWRCZHOTPDBCM-CYBMUJFWSA-N 1 2 294.370 1.883 20 10 CDCDLO C[C@@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000091814872 729946967 /nfs/dbraw/zinc/94/69/67/729946967.db2.gz HBWRCZHOTPDBCM-CYBMUJFWSA-N 1 2 294.370 1.883 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1Cl ZINC000824649156 730416287 /nfs/dbraw/zinc/41/62/87/730416287.db2.gz AMVAEKHEXSNZKU-LBPRGKRZSA-N 1 2 284.743 1.040 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1Cl ZINC000824649156 730416293 /nfs/dbraw/zinc/41/62/93/730416293.db2.gz AMVAEKHEXSNZKU-LBPRGKRZSA-N 1 2 284.743 1.040 20 10 CDCDLO CN1C[C@@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2C1=O ZINC001140581083 896954017 /nfs/dbraw/zinc/95/40/17/896954017.db2.gz PQQAJNQENXHJHI-SCZZXKLOSA-N 1 2 282.290 1.190 20 10 CDCDLO CN1C[C@@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2C1=O ZINC001140581083 896954032 /nfs/dbraw/zinc/95/40/32/896954032.db2.gz PQQAJNQENXHJHI-SCZZXKLOSA-N 1 2 282.290 1.190 20 10 CDCDLO CCNC(=O)C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001142508813 908833014 /nfs/dbraw/zinc/83/30/14/908833014.db2.gz MGWRDRUWHHOKBO-UHFFFAOYSA-N 1 2 258.268 1.238 20 10 CDCDLO CCNC(=O)C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001142508813 908833033 /nfs/dbraw/zinc/83/30/33/908833033.db2.gz MGWRDRUWHHOKBO-UHFFFAOYSA-N 1 2 258.268 1.238 20 10 CDCDLO OCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715713593 910047692 /nfs/dbraw/zinc/04/76/92/910047692.db2.gz ROPLHWCGVRGCKT-UHFFFAOYSA-N 1 2 264.094 1.376 20 10 CDCDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1c(O)cccc1F ZINC001137831929 936416687 /nfs/dbraw/zinc/41/66/87/936416687.db2.gz SQJJLQMFLDJZAC-LLVKDONJSA-N 1 2 253.273 1.669 20 10 CDCDLO COC(=O)[C@H]1CCC[N@H+]1Cc1c(O)cccc1F ZINC001137831929 936416690 /nfs/dbraw/zinc/41/66/90/936416690.db2.gz SQJJLQMFLDJZAC-LLVKDONJSA-N 1 2 253.273 1.669 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CCC1=O ZINC001140619568 936731812 /nfs/dbraw/zinc/73/18/12/936731812.db2.gz HXGLHDJGGIMYGM-CYBMUJFWSA-N 1 2 291.347 1.655 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)CCC1=O ZINC001140619568 936731814 /nfs/dbraw/zinc/73/18/14/936731814.db2.gz HXGLHDJGGIMYGM-CYBMUJFWSA-N 1 2 291.347 1.655 20 10 CDCDLO CN1CCOc2cc(C[NH+]3CC4(C3)CS(=O)C4)ccc21 ZINC001141140887 936819022 /nfs/dbraw/zinc/81/90/22/936819022.db2.gz QWVIMDAEHDWOAD-UHFFFAOYSA-N 1 2 292.404 1.080 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508555 937025366 /nfs/dbraw/zinc/02/53/66/937025366.db2.gz CRVDNQROZHCOQI-PSASIEDQSA-N 1 2 275.270 1.823 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508555 937025369 /nfs/dbraw/zinc/02/53/69/937025369.db2.gz CRVDNQROZHCOQI-PSASIEDQSA-N 1 2 275.270 1.823 20 10 CDCDLO C[C@@H](C[NH2+]Cc1cccc(Cl)c1O)S(C)(=O)=O ZINC000697643759 937285363 /nfs/dbraw/zinc/28/53/63/937285363.db2.gz XHXWBTHEWUCGTA-QMMMGPOBSA-N 1 2 277.773 1.568 20 10 CDCDLO COc1cc(C[NH+]2CC(C(F)F)C2)cc(O)c1O ZINC001204351139 939759989 /nfs/dbraw/zinc/75/99/89/939759989.db2.gz NKKUEDAZUSTPHM-UHFFFAOYSA-N 1 2 259.252 1.803 20 10 CDCDLO CN(C)C(=O)[C@H]1CCC2(C[NH+](Cc3ccccc3O)C2)O1 ZINC001277442493 942579280 /nfs/dbraw/zinc/57/92/80/942579280.db2.gz WLDDUXBPRXLTNF-CQSZACIVSA-N 1 2 290.363 1.214 20 10 CDCDLO COc1cc(C[N@H+](C)Cc2ccon2)c(O)cc1O ZINC001231637459 942953685 /nfs/dbraw/zinc/95/36/85/942953685.db2.gz MSRQENHFCKVFNF-UHFFFAOYSA-N 1 2 264.281 1.726 20 10 CDCDLO COc1cc(C[N@@H+](C)Cc2ccon2)c(O)cc1O ZINC001231637459 942953691 /nfs/dbraw/zinc/95/36/91/942953691.db2.gz MSRQENHFCKVFNF-UHFFFAOYSA-N 1 2 264.281 1.726 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC001232263642 943194000 /nfs/dbraw/zinc/19/40/00/943194000.db2.gz CDNGIQKVDYDBLH-JTQLQIEISA-N 1 2 284.743 1.504 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC001232263642 943194002 /nfs/dbraw/zinc/19/40/02/943194002.db2.gz CDNGIQKVDYDBLH-JTQLQIEISA-N 1 2 284.743 1.504 20 10 CDCDLO Oc1c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)ccc(F)c1F ZINC001233074858 943485169 /nfs/dbraw/zinc/48/51/69/943485169.db2.gz YRIZLERXDLJHQX-PSASIEDQSA-N 1 2 261.243 1.575 20 10 CDCDLO Oc1c(C[N@H+]2CC[C@@H](F)[C@H](O)C2)ccc(F)c1F ZINC001233074858 943485171 /nfs/dbraw/zinc/48/51/71/943485171.db2.gz YRIZLERXDLJHQX-PSASIEDQSA-N 1 2 261.243 1.575 20 10 CDCDLO CN1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)CC1=O ZINC001235674521 944241678 /nfs/dbraw/zinc/24/16/78/944241678.db2.gz GPRIZZCUJNWIDZ-UHFFFAOYSA-N 1 2 276.380 1.964 20 10 CDCDLO CN1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CC1=O ZINC001235674521 944241688 /nfs/dbraw/zinc/24/16/88/944241688.db2.gz GPRIZZCUJNWIDZ-UHFFFAOYSA-N 1 2 276.380 1.964 20 10 CDCDLO NC(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237800046 944953746 /nfs/dbraw/zinc/95/37/46/944953746.db2.gz VSUMLJNAYOSKEJ-SSDOTTSWSA-N 1 2 272.707 1.492 20 10 CDCDLO NC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237800046 944953748 /nfs/dbraw/zinc/95/37/48/944953748.db2.gz VSUMLJNAYOSKEJ-SSDOTTSWSA-N 1 2 272.707 1.492 20 10 CDCDLO CCOc1ccc(O)c(C[NH+]2CC(NC(=O)OC)C2)c1 ZINC001325502208 953935320 /nfs/dbraw/zinc/93/53/20/953935320.db2.gz NOOUXVQYDIDXFE-UHFFFAOYSA-N 1 2 280.324 1.331 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1O ZINC000187776876 357805426 /nfs/dbraw/zinc/80/54/26/357805426.db2.gz ROQQTUYGAALLRK-DTWKUNHWSA-N 1 2 294.305 1.928 20 10 CDCDLO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(F)c(F)c1O ZINC000187806395 357809338 /nfs/dbraw/zinc/80/93/38/357809338.db2.gz XVKNDOSEEISYEW-ISVAXAHUSA-N 1 2 273.279 1.472 20 10 CDCDLO CC(C)CN1CC[N@H+](Cc2cc(F)ccc2O)CC1=O ZINC000190103203 358052879 /nfs/dbraw/zinc/05/28/79/358052879.db2.gz TYSVTBTVIIRYRQ-UHFFFAOYSA-N 1 2 280.343 1.832 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1COCCN1 ZINC000530182026 368147148 /nfs/dbraw/zinc/14/71/48/368147148.db2.gz QCHLKZSBHRRUGL-JTQLQIEISA-N 1 2 274.723 1.263 20 10 CDCDLO C[C@@H]([NH2+]Cc1cnnn1C)c1ccc(F)c(F)c1O ZINC000287517768 369224077 /nfs/dbraw/zinc/22/40/77/369224077.db2.gz ZLUJTBBJRFNOHK-SSDOTTSWSA-N 1 2 268.267 1.650 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000109779902 390648046 /nfs/dbraw/zinc/64/80/46/390648046.db2.gz KRSSJFXCBPYARX-UHFFFAOYSA-N 1 2 287.743 1.667 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000109779902 390648050 /nfs/dbraw/zinc/64/80/50/390648050.db2.gz KRSSJFXCBPYARX-UHFFFAOYSA-N 1 2 287.743 1.667 20 10 CDCDLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nccs2)CC1 ZINC000072016367 521667914 /nfs/dbraw/zinc/66/79/14/521667914.db2.gz YQLMJTHUYFOGIH-JTQLQIEISA-N 1 2 285.438 1.788 20 10 CDCDLO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000290015150 524009867 /nfs/dbraw/zinc/00/98/67/524009867.db2.gz BWYJUZKSNMBASB-WLTAIBSBSA-N 1 2 282.296 1.365 20 10 CDCDLO COc1ccc([NH+]2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000726602644 574501535 /nfs/dbraw/zinc/50/15/35/574501535.db2.gz ZUHGWHGEZTXPRZ-UHFFFAOYSA-N 1 2 284.381 1.213 20 10 CDCDLO O=C(NCC[NH+]1CCSCC1)C1=CC(=O)CS1 ZINC000732833587 575097869 /nfs/dbraw/zinc/09/78/69/575097869.db2.gz BYHHVPMPKJFLSO-UHFFFAOYSA-N 1 2 272.395 1.232 20 10 CDCDLO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C ZINC000733334684 575115242 /nfs/dbraw/zinc/11/52/42/575115242.db2.gz QBCSMSLUBLNJAF-SECBINFHSA-N 1 2 295.335 1.941 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000769446023 576354265 /nfs/dbraw/zinc/35/42/65/576354265.db2.gz KCNPPCZAUZEHFV-LLVKDONJSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000769446023 576354266 /nfs/dbraw/zinc/35/42/66/576354266.db2.gz KCNPPCZAUZEHFV-LLVKDONJSA-N 1 2 295.335 1.165 20 10 CDCDLO Cc1cccc2[nH+]cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)n21 ZINC000749001284 576931828 /nfs/dbraw/zinc/93/18/28/576931828.db2.gz RVTIKIUJZHQFDY-UHFFFAOYSA-N 1 2 298.302 1.077 20 10 CDCDLO COCCN(C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756525375 576993765 /nfs/dbraw/zinc/99/37/65/576993765.db2.gz BKHISYNJAJGLFY-JTQLQIEISA-N 1 2 288.338 1.899 20 10 CDCDLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1cc([N+](=O)[O-])ccc1O ZINC000757630780 577047120 /nfs/dbraw/zinc/04/71/20/577047120.db2.gz AABYMMLHMLHBMR-SECBINFHSA-N 1 2 293.323 1.477 20 10 CDCDLO C[C@H]([NH2+]CCCOCCO)c1cc(F)cc(F)c1O ZINC000757638925 577048004 /nfs/dbraw/zinc/04/80/04/577048004.db2.gz SWTBSJQXCWRMSQ-VIFPVBQESA-N 1 2 275.295 1.720 20 10 CDCDLO CC[N@H+](CCC(N)=O)Cc1cccc(Cl)c1O ZINC000896710985 620209526 /nfs/dbraw/zinc/20/95/26/620209526.db2.gz BPERZJXAKMUNCX-UHFFFAOYSA-N 1 2 256.733 1.743 20 10 CDCDLO CC[N@@H+](CCC(N)=O)Cc1cccc(Cl)c1O ZINC000896710985 620209528 /nfs/dbraw/zinc/20/95/28/620209528.db2.gz BPERZJXAKMUNCX-UHFFFAOYSA-N 1 2 256.733 1.743 20 10 CDCDLO CN(C)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1F ZINC000900433959 623051344 /nfs/dbraw/zinc/05/13/44/623051344.db2.gz HRQYPBZMNKHWHO-UHFFFAOYSA-N 1 2 276.315 1.474 20 10 CDCDLO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591323936 1173609543 /nfs/dbraw/zinc/60/95/43/1173609543.db2.gz GMKMCCCSFZLUIB-LPEHRKFASA-N 1 2 291.355 1.646 20 10 CDCDLO CC[N@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCNC1=O ZINC000799737736 730486976 /nfs/dbraw/zinc/48/69/76/730486976.db2.gz MCMGBJZQICULKJ-JTQLQIEISA-N 1 2 286.734 1.895 20 10 CDCDLO CC[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCNC1=O ZINC000799737736 730486982 /nfs/dbraw/zinc/48/69/82/730486982.db2.gz MCMGBJZQICULKJ-JTQLQIEISA-N 1 2 286.734 1.895 20 10 CDCDLO C[N@@H+]1CCN(C(=O)C2=CC(=O)CS2)CC1(C)C ZINC000847137463 730527187 /nfs/dbraw/zinc/52/71/87/730527187.db2.gz COOUAZTYPZMIHL-UHFFFAOYSA-N 1 2 254.355 1.620 20 10 CDCDLO C[N@H+]1CCN(C(=O)C2=CC(=O)CS2)CC1(C)C ZINC000847137463 730527193 /nfs/dbraw/zinc/52/71/93/730527193.db2.gz COOUAZTYPZMIHL-UHFFFAOYSA-N 1 2 254.355 1.620 20 10 CDCDLO O=C(C[NH2+]Cc1cc(Cl)cc(F)c1O)NC1CC1 ZINC000839099300 730630364 /nfs/dbraw/zinc/63/03/64/730630364.db2.gz WDKPQSVDAIDYTF-UHFFFAOYSA-N 1 2 272.707 1.553 20 10 CDCDLO COCCc1nc(C[NH2+][C@H](C)c2ccccc2O)no1 ZINC000879649383 731897427 /nfs/dbraw/zinc/89/74/27/731897427.db2.gz PLVUGPXBPSPCLF-SNVBAGLBSA-N 1 2 277.324 1.815 20 10 CDCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CC(n2cc[nH+]c2)C1 ZINC000779519436 732315422 /nfs/dbraw/zinc/31/54/22/732315422.db2.gz DPKKBZWYGYVHFZ-DUXPYHPUSA-N 1 2 285.303 1.391 20 10 CDCDLO COCCc1noc(C[N@H+](C)Cc2ccc(C)cc2O)n1 ZINC000876761400 732451997 /nfs/dbraw/zinc/45/19/97/732451997.db2.gz WYSRTFYXZFIFHQ-UHFFFAOYSA-N 1 2 291.351 1.905 20 10 CDCDLO COCCc1noc(C[N@@H+](C)Cc2ccc(C)cc2O)n1 ZINC000876761400 732452005 /nfs/dbraw/zinc/45/20/05/732452005.db2.gz WYSRTFYXZFIFHQ-UHFFFAOYSA-N 1 2 291.351 1.905 20 10 CDCDLO CCOC(=O)C[N@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000775664607 732474120 /nfs/dbraw/zinc/47/41/20/732474120.db2.gz ZMYNMOIJQTVHRJ-UHFFFAOYSA-N 1 2 297.351 1.794 20 10 CDCDLO CCOC(=O)C[N@@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000775664607 732474132 /nfs/dbraw/zinc/47/41/32/732474132.db2.gz ZMYNMOIJQTVHRJ-UHFFFAOYSA-N 1 2 297.351 1.794 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](F)(CO)C2)c1O ZINC000802661048 732664090 /nfs/dbraw/zinc/66/40/90/732664090.db2.gz FHVVVMGDHRDCMB-ZDUSSCGKSA-N 1 2 289.734 1.961 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2CC[C@@](F)(CO)C2)c1O ZINC000802661048 732664103 /nfs/dbraw/zinc/66/41/03/732664103.db2.gz FHVVVMGDHRDCMB-ZDUSSCGKSA-N 1 2 289.734 1.961 20 10 CDCDLO COc1ccc(CNC(=O)c2cccc3[nH+]ccn32)c(O)c1 ZINC000794388451 732816368 /nfs/dbraw/zinc/81/63/68/732816368.db2.gz UTKURPQTIBFZJK-UHFFFAOYSA-N 1 2 297.314 1.979 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c(O)c1 ZINC000779200070 733007231 /nfs/dbraw/zinc/00/72/31/733007231.db2.gz SSVUSHORVATEHW-NSHDSACASA-N 1 2 278.352 1.453 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c(O)c1 ZINC000779200070 733007233 /nfs/dbraw/zinc/00/72/33/733007233.db2.gz SSVUSHORVATEHW-NSHDSACASA-N 1 2 278.352 1.453 20 10 CDCDLO CCC[N@H+](CC(N)=O)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000312672235 899994565 /nfs/dbraw/zinc/99/45/65/899994565.db2.gz JDRPGYVMNXIJLR-UHFFFAOYSA-N 1 2 298.770 1.946 20 10 CDCDLO CCC[N@@H+](CC(N)=O)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000312672235 899994573 /nfs/dbraw/zinc/99/45/73/899994573.db2.gz JDRPGYVMNXIJLR-UHFFFAOYSA-N 1 2 298.770 1.946 20 10 CDCDLO Oc1cccc(F)c1C[N@@H+]1CCC2(C1)OCCO2 ZINC001137837572 936419318 /nfs/dbraw/zinc/41/93/18/936419318.db2.gz MGZQDKNWISNGHB-UHFFFAOYSA-N 1 2 253.273 1.480 20 10 CDCDLO Oc1cccc(F)c1C[N@H+]1CCC2(C1)OCCO2 ZINC001137837572 936419319 /nfs/dbraw/zinc/41/93/19/936419319.db2.gz MGZQDKNWISNGHB-UHFFFAOYSA-N 1 2 253.273 1.480 20 10 CDCDLO Cc1cc(C[N@H+]2CC(=O)NC[C@H]2C)ccc1N(C)C ZINC001139672875 936634824 /nfs/dbraw/zinc/63/48/24/936634824.db2.gz KZWZUONAZSHINT-GFCCVEGCSA-N 1 2 261.369 1.381 20 10 CDCDLO Cc1cc(C[N@@H+]2CC(=O)NC[C@H]2C)ccc1N(C)C ZINC001139672875 936634825 /nfs/dbraw/zinc/63/48/25/936634825.db2.gz KZWZUONAZSHINT-GFCCVEGCSA-N 1 2 261.369 1.381 20 10 CDCDLO CCOC(=O)C[N@H+](CC)Cc1ccc2c(c1)OCCN2C ZINC001141144815 936819472 /nfs/dbraw/zinc/81/94/72/936819472.db2.gz LQMPGDBTCPWWPR-UHFFFAOYSA-N 1 2 292.379 1.900 20 10 CDCDLO CCOC(=O)C[N@@H+](CC)Cc1ccc2c(c1)OCCN2C ZINC001141144815 936819474 /nfs/dbraw/zinc/81/94/74/936819474.db2.gz LQMPGDBTCPWWPR-UHFFFAOYSA-N 1 2 292.379 1.900 20 10 CDCDLO C[NH+]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 ZINC001193589147 923784546 /nfs/dbraw/zinc/78/45/46/923784546.db2.gz DVXXXVRMRWEGEH-UHFFFAOYSA-N 1 2 270.716 1.139 20 10 CDCDLO CC(C)(C)[NH+]1CC(NC(=O)c2cc(O)c(O)c(Cl)c2)C1 ZINC001193634640 923824118 /nfs/dbraw/zinc/82/41/18/923824118.db2.gz ZGZNNUTVXAJUKZ-UHFFFAOYSA-N 1 2 298.770 1.964 20 10 CDCDLO CN(Cc1cc(F)c(F)cc1O)[C@@H]1CC[N@H+](C)C1 ZINC001142524714 937027417 /nfs/dbraw/zinc/02/74/17/937027417.db2.gz HVQUSNYQPFMPOZ-SNVBAGLBSA-N 1 2 256.296 1.806 20 10 CDCDLO CN(Cc1cc(F)c(F)cc1O)[C@@H]1CC[N@@H+](C)C1 ZINC001142524714 937027420 /nfs/dbraw/zinc/02/74/20/937027420.db2.gz HVQUSNYQPFMPOZ-SNVBAGLBSA-N 1 2 256.296 1.806 20 10 CDCDLO CN1CC[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1 ZINC001142524714 937027422 /nfs/dbraw/zinc/02/74/22/937027422.db2.gz HVQUSNYQPFMPOZ-SNVBAGLBSA-N 1 2 256.296 1.806 20 10 CDCDLO CN1CC[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1 ZINC001142524714 937027425 /nfs/dbraw/zinc/02/74/25/937027425.db2.gz HVQUSNYQPFMPOZ-SNVBAGLBSA-N 1 2 256.296 1.806 20 10 CDCDLO COC(=O)c1[nH+]ccc(NCc2ccc(O)c(O)c2)c1C ZINC001169996905 928906461 /nfs/dbraw/zinc/90/64/61/928906461.db2.gz LVVPHGJJUPFCOJ-UHFFFAOYSA-N 1 2 288.303 1.622 20 10 CDCDLO O=C1C[N@H+](Cc2ccccc2O)CCN1C1CCOCC1 ZINC001203556152 939693158 /nfs/dbraw/zinc/69/31/58/939693158.db2.gz KZMYNJZIVYYJPE-UHFFFAOYSA-N 1 2 290.363 1.215 20 10 CDCDLO O=C1C[N@@H+](Cc2ccccc2O)CCN1C1CCOCC1 ZINC001203556152 939693159 /nfs/dbraw/zinc/69/31/59/939693159.db2.gz KZMYNJZIVYYJPE-UHFFFAOYSA-N 1 2 290.363 1.215 20 10 CDCDLO COc1ccc(C[N@@H+]2CCc3c(ncn3C)C2)c(O)c1 ZINC001203629376 939697547 /nfs/dbraw/zinc/69/75/47/939697547.db2.gz YWVXQCCLKXMGBT-UHFFFAOYSA-N 1 2 273.336 1.693 20 10 CDCDLO COc1ccc(C[N@H+]2CCc3c(ncn3C)C2)c(O)c1 ZINC001203629376 939697548 /nfs/dbraw/zinc/69/75/48/939697548.db2.gz YWVXQCCLKXMGBT-UHFFFAOYSA-N 1 2 273.336 1.693 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC(=O)N1 ZINC001204324623 939755246 /nfs/dbraw/zinc/75/52/46/939755246.db2.gz NVFHZAVNQUWJIJ-CYBMUJFWSA-N 1 2 273.380 1.607 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC(=O)N1 ZINC001204324623 939755249 /nfs/dbraw/zinc/75/52/49/939755249.db2.gz NVFHZAVNQUWJIJ-CYBMUJFWSA-N 1 2 273.380 1.607 20 10 CDCDLO COc1cc(C[N@H+](C)Cc2cc(C)nn2C)cc(O)c1O ZINC001204345717 939758432 /nfs/dbraw/zinc/75/84/32/939758432.db2.gz VQTXVBQBWRGKFC-UHFFFAOYSA-N 1 2 291.351 1.780 20 10 CDCDLO COc1cc(C[N@@H+](C)Cc2cc(C)nn2C)cc(O)c1O ZINC001204345717 939758434 /nfs/dbraw/zinc/75/84/34/939758434.db2.gz VQTXVBQBWRGKFC-UHFFFAOYSA-N 1 2 291.351 1.780 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CCO1 ZINC001204450463 939764985 /nfs/dbraw/zinc/76/49/85/939764985.db2.gz WGCSAIGNAQPAIP-AWEZNQCLSA-N 1 2 295.335 1.083 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)CCO1 ZINC001204450463 939764986 /nfs/dbraw/zinc/76/49/86/939764986.db2.gz WGCSAIGNAQPAIP-AWEZNQCLSA-N 1 2 295.335 1.083 20 10 CDCDLO [NH3+][C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001205109738 939823326 /nfs/dbraw/zinc/82/33/26/939823326.db2.gz KUDGZOUYADXPRB-SNVBAGLBSA-N 1 2 256.296 1.984 20 10 CDCDLO [NH3+][C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001205109738 939823330 /nfs/dbraw/zinc/82/33/30/939823330.db2.gz KUDGZOUYADXPRB-SNVBAGLBSA-N 1 2 256.296 1.984 20 10 CDCDLO [NH3+][C@@H]1CCCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001205109738 939823332 /nfs/dbraw/zinc/82/33/32/939823332.db2.gz KUDGZOUYADXPRB-SNVBAGLBSA-N 1 2 256.296 1.984 20 10 CDCDLO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829995 939942808 /nfs/dbraw/zinc/94/28/08/939942808.db2.gz QLFGAQCTYPFWAY-ZJUUUORDSA-N 1 2 266.341 1.363 20 10 CDCDLO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829995 939942811 /nfs/dbraw/zinc/94/28/11/939942811.db2.gz QLFGAQCTYPFWAY-ZJUUUORDSA-N 1 2 266.341 1.363 20 10 CDCDLO Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c1O ZINC001277519425 942892048 /nfs/dbraw/zinc/89/20/48/942892048.db2.gz WHKSLOKWIBUWGT-OKILXGFUSA-N 1 2 280.343 1.355 20 10 CDCDLO Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c1O ZINC001277519425 942892051 /nfs/dbraw/zinc/89/20/51/942892051.db2.gz WHKSLOKWIBUWGT-OKILXGFUSA-N 1 2 280.343 1.355 20 10 CDCDLO CS(=O)(=O)C1C[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC001231589338 942938111 /nfs/dbraw/zinc/93/81/11/942938111.db2.gz CAKNDZKLVJRWAA-UHFFFAOYSA-N 1 2 291.372 1.774 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232836604 943414684 /nfs/dbraw/zinc/41/46/84/943414684.db2.gz RGBPWQVTRIBQIE-UHFFFAOYSA-N 1 2 266.341 1.453 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232836604 943414688 /nfs/dbraw/zinc/41/46/88/943414688.db2.gz RGBPWQVTRIBQIE-UHFFFAOYSA-N 1 2 266.341 1.453 20 10 CDCDLO CC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCO1 ZINC001232841828 943417614 /nfs/dbraw/zinc/41/76/14/943417614.db2.gz UBZACMOAXJXUNY-HNNXBMFYSA-N 1 2 278.352 1.248 20 10 CDCDLO CC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CCO1 ZINC001232841828 943417617 /nfs/dbraw/zinc/41/76/17/943417617.db2.gz UBZACMOAXJXUNY-HNNXBMFYSA-N 1 2 278.352 1.248 20 10 CDCDLO Cn1c[nH+]c2c1CCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233486203 943594536 /nfs/dbraw/zinc/59/45/36/943594536.db2.gz CNBZAONZDMLBFG-UHFFFAOYSA-N 1 2 275.308 1.095 20 10 CDCDLO OC[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C[C@H]1O ZINC001237120095 944660147 /nfs/dbraw/zinc/66/01/47/944660147.db2.gz JALCZFBSQPJVDU-PRHODGIISA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C[C@H]1O ZINC001237120095 944660150 /nfs/dbraw/zinc/66/01/50/944660150.db2.gz JALCZFBSQPJVDU-PRHODGIISA-N 1 2 289.734 1.360 20 10 CDCDLO Cc1cc(Cl)cc(C[NH+]2CC3(C2)CS(=O)C3)c1O ZINC001237680527 944923112 /nfs/dbraw/zinc/92/31/12/944923112.db2.gz CPZULJPTOVQKAN-UHFFFAOYSA-N 1 2 285.796 1.918 20 10 CDCDLO CN(C)c1n[nH]c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)n1 ZINC001308557665 956546449 /nfs/dbraw/zinc/54/64/49/956546449.db2.gz CVBOUEWWCPNLHJ-UHFFFAOYSA-N 1 2 292.362 1.366 20 10 CDCDLO COc1cccc(CNC(=O)[C@@H](C)n2cc[nH+]c2)c1O ZINC001338652170 961929056 /nfs/dbraw/zinc/92/90/56/961929056.db2.gz YOPBQODQTYCXGT-SNVBAGLBSA-N 1 2 275.308 1.475 20 10 CDCDLO Cc1cc(Cl)cc(C[N@@H+]2CCNC(=O)[C@H]2C)c1O ZINC000179921197 357230478 /nfs/dbraw/zinc/23/04/78/357230478.db2.gz LUWUBYSXPXIOAE-SECBINFHSA-N 1 2 268.744 1.674 20 10 CDCDLO Cc1cc(Cl)cc(C[N@H+]2CCNC(=O)[C@H]2C)c1O ZINC000179921197 357230483 /nfs/dbraw/zinc/23/04/83/357230483.db2.gz LUWUBYSXPXIOAE-SECBINFHSA-N 1 2 268.744 1.674 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(Cl)c1O ZINC000180037329 357238133 /nfs/dbraw/zinc/23/81/33/357238133.db2.gz KTPBATJDIMNBBP-NSHDSACASA-N 1 2 268.744 1.756 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000180037329 357238138 /nfs/dbraw/zinc/23/81/38/357238138.db2.gz KTPBATJDIMNBBP-NSHDSACASA-N 1 2 268.744 1.756 20 10 CDCDLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187695335 357796005 /nfs/dbraw/zinc/79/60/05/357796005.db2.gz CYOFANTURYUFLS-QMMMGPOBSA-N 1 2 293.335 1.756 20 10 CDCDLO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(F)c(F)c1O ZINC000187806451 357809067 /nfs/dbraw/zinc/80/90/67/357809067.db2.gz XVKNDOSEEISYEW-OQPBUACISA-N 1 2 273.279 1.472 20 10 CDCDLO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(F)c(F)c1O ZINC000187774691 299320110 /nfs/dbraw/zinc/32/01/10/299320110.db2.gz UVGHQCMYAOKYMC-UWVGGRQHSA-N 1 2 286.322 1.652 20 10 CDCDLO C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ncnn1C ZINC000276572011 299344875 /nfs/dbraw/zinc/34/48/75/299344875.db2.gz HGXJXWQHLMQQEX-IUCAKERBSA-N 1 2 291.311 1.841 20 10 CDCDLO Oc1c(F)cccc1CN1CC[NH+](C2CC2)CC1 ZINC000272336334 365195556 /nfs/dbraw/zinc/19/55/56/365195556.db2.gz XOAZZROJUAUECV-UHFFFAOYSA-N 1 2 250.317 1.811 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CCN(C2CC2)CC1 ZINC000272336334 365195560 /nfs/dbraw/zinc/19/55/60/365195560.db2.gz XOAZZROJUAUECV-UHFFFAOYSA-N 1 2 250.317 1.811 20 10 CDCDLO CCOC1C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000297487931 371995208 /nfs/dbraw/zinc/99/52/08/371995208.db2.gz SXBBKYITDNBUMT-UHFFFAOYSA-N 1 2 251.282 1.342 20 10 CDCDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc2c(c1)OCO2 ZINC000493518833 253482775 /nfs/dbraw/zinc/48/27/75/253482775.db2.gz GUMJKGFHJFVCMC-DJWKRKHSSA-N 1 2 271.276 1.815 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2CC)c1 ZINC000093050607 390899535 /nfs/dbraw/zinc/89/95/35/390899535.db2.gz PDTSZQRRJMVDSY-ZDUSSCGKSA-N 1 2 278.352 1.501 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CCNC(=O)[C@@H]2CC)c1 ZINC000093050607 390899537 /nfs/dbraw/zinc/89/95/37/390899537.db2.gz PDTSZQRRJMVDSY-ZDUSSCGKSA-N 1 2 278.352 1.501 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]CCCN1CCOCC1 ZINC000124647077 391221794 /nfs/dbraw/zinc/22/17/94/391221794.db2.gz SHIKTYAVYWGSML-UHFFFAOYSA-N 1 2 284.787 1.858 20 10 CDCDLO Cc1ccc([C@H](C)[NH2+]Cc2ncn(C)n2)c(O)c1C ZINC000273505284 391326260 /nfs/dbraw/zinc/32/62/60/391326260.db2.gz QYLKLYHZWBSOAL-NSHDSACASA-N 1 2 260.341 1.988 20 10 CDCDLO OCC[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000154560744 261093089 /nfs/dbraw/zinc/09/30/89/261093089.db2.gz QJQWHJFKCCKDJI-UHFFFAOYSA-N 1 2 270.760 1.156 20 10 CDCDLO OCCN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000154560744 261093091 /nfs/dbraw/zinc/09/30/91/261093091.db2.gz QJQWHJFKCCKDJI-UHFFFAOYSA-N 1 2 270.760 1.156 20 10 CDCDLO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276988430 292807002 /nfs/dbraw/zinc/80/70/02/292807002.db2.gz XCRDUVJADNAJFA-DTWKUNHWSA-N 1 2 275.295 1.718 20 10 CDCDLO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000377701301 329025728 /nfs/dbraw/zinc/02/57/28/329025728.db2.gz SOLJMDGYRJZDOK-DZGCQCFKSA-N 1 2 281.327 1.911 20 10 CDCDLO Oc1ccc(F)cc1C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000377701301 329025730 /nfs/dbraw/zinc/02/57/30/329025730.db2.gz SOLJMDGYRJZDOK-DZGCQCFKSA-N 1 2 281.327 1.911 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000179576330 329209670 /nfs/dbraw/zinc/20/96/70/329209670.db2.gz WVQWXDLSQYHHCW-GFCCVEGCSA-N 1 2 265.309 1.156 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000179576330 329209672 /nfs/dbraw/zinc/20/96/72/329209672.db2.gz WVQWXDLSQYHHCW-GFCCVEGCSA-N 1 2 265.309 1.156 20 10 CDCDLO CCNC(=O)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000127868776 521743736 /nfs/dbraw/zinc/74/37/36/521743736.db2.gz PAZHWBJHRDYYNZ-MRVPVSSYSA-N 1 2 256.733 1.660 20 10 CDCDLO COc1cccc(C[N@@H+]2CCn3cncc3C2)c1O ZINC000291695964 525954796 /nfs/dbraw/zinc/95/47/96/525954796.db2.gz YLXOHZDGADYYME-UHFFFAOYSA-N 1 2 259.309 1.613 20 10 CDCDLO COc1cccc(C[N@H+]2CCn3cncc3C2)c1O ZINC000291695964 525954799 /nfs/dbraw/zinc/95/47/99/525954799.db2.gz YLXOHZDGADYYME-UHFFFAOYSA-N 1 2 259.309 1.613 20 10 CDCDLO COc1cccc(CN2CCn3c[nH+]cc3C2)c1O ZINC000291695964 525954807 /nfs/dbraw/zinc/95/48/07/525954807.db2.gz YLXOHZDGADYYME-UHFFFAOYSA-N 1 2 259.309 1.613 20 10 CDCDLO O=C(c1cccc(O)c1O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000280398183 526771491 /nfs/dbraw/zinc/77/14/91/526771491.db2.gz GEDQLOKSVJYVEF-SNVBAGLBSA-N 1 2 287.319 1.841 20 10 CDCDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C1=CC(=O)CS1 ZINC000768845960 576312176 /nfs/dbraw/zinc/31/21/76/576312176.db2.gz LEUBKIZYJSGQEV-RKDXNWHRSA-N 1 2 254.355 1.618 20 10 CDCDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C1=CC(=O)CS1 ZINC000768845960 576312177 /nfs/dbraw/zinc/31/21/77/576312177.db2.gz LEUBKIZYJSGQEV-RKDXNWHRSA-N 1 2 254.355 1.618 20 10 CDCDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(CO)on1 ZINC000924901166 618734327 /nfs/dbraw/zinc/73/43/27/618734327.db2.gz QHVVBKZQSCSRTN-SNVBAGLBSA-N 1 2 274.320 1.953 20 10 CDCDLO COc1ccc(O)c([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000901127895 623884100 /nfs/dbraw/zinc/88/41/00/623884100.db2.gz OZECBQBZAVDPMV-VIFPVBQESA-N 1 2 275.308 1.544 20 10 CDCDLO C[C@H]([NH2+]CCCCCO)c1cccc(-c2nn[nH]n2)c1O ZINC001589963417 1173213498 /nfs/dbraw/zinc/21/34/98/1173213498.db2.gz WWEKHHBBZGOBIV-JTQLQIEISA-N 1 2 291.355 1.386 20 10 CDCDLO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(F)cc(F)c1O ZINC000817586031 735184545 /nfs/dbraw/zinc/18/45/45/735184545.db2.gz KZLZJKVKJLJMEO-QMMMGPOBSA-N 1 2 284.306 1.977 20 10 CDCDLO COc1cc(O)c(C[NH2+][C@H](C)c2nc(C)no2)cc1OC ZINC000792176845 735317822 /nfs/dbraw/zinc/31/78/22/735317822.db2.gz OROHJSKOJFDZPE-MRVPVSSYSA-N 1 2 293.323 1.952 20 10 CDCDLO COc1ccc(C[NH2+]Cc2nnc3c(=O)[nH]ccn23)cc1C ZINC000886292065 735865439 /nfs/dbraw/zinc/86/54/39/735865439.db2.gz COTOPTRTYFNFND-UHFFFAOYSA-N 1 2 299.334 1.024 20 10 CDCDLO CCC([NH3+])(CC)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000841028915 733359143 /nfs/dbraw/zinc/35/91/43/733359143.db2.gz IFAXETIPUNGVBA-UHFFFAOYSA-N 1 2 297.355 1.916 20 10 CDCDLO CC(=O)NCC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000308300388 733616747 /nfs/dbraw/zinc/61/67/47/733616747.db2.gz LOIMFYLTJSPLRU-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO CC(=O)NCC[N@H+](C)Cc1cccc(Cl)c1O ZINC000308300388 733616757 /nfs/dbraw/zinc/61/67/57/733616757.db2.gz LOIMFYLTJSPLRU-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO C[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccccc1O ZINC000846846785 733620361 /nfs/dbraw/zinc/62/03/61/733620361.db2.gz XKERYLQYNGVYRK-JTQLQIEISA-N 1 2 275.356 1.985 20 10 CDCDLO Cn1c[nH+]cc1CCNC(=O)C1=CC(=O)CS1 ZINC000776191764 733786634 /nfs/dbraw/zinc/78/66/34/733786634.db2.gz VCMBZMMQYRHHEO-UHFFFAOYSA-N 1 2 251.311 1.160 20 10 CDCDLO Cc1nc(CC[NH2+][C@@H](C)c2c(O)cccc2F)n[nH]1 ZINC000886587968 733801692 /nfs/dbraw/zinc/80/16/92/733801692.db2.gz IVNJHJCAIISBBZ-QMMMGPOBSA-N 1 2 264.304 1.851 20 10 CDCDLO O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000778190199 733880460 /nfs/dbraw/zinc/88/04/60/733880460.db2.gz VTXWCQHTMVUYMK-LLVKDONJSA-N 1 2 288.307 1.602 20 10 CDCDLO C[N@H+]1C[C@H]2CN(Cc3cc(F)cc(F)c3O)C[C@H]2C1 ZINC000708381584 734062272 /nfs/dbraw/zinc/06/22/72/734062272.db2.gz CAWMRDQLMCSEQL-PHIMTYICSA-N 1 2 268.307 1.664 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000783728459 734119710 /nfs/dbraw/zinc/11/97/10/734119710.db2.gz IPKCEAIRJLJZFO-JTQLQIEISA-N 1 2 264.325 1.063 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000783728459 734119715 /nfs/dbraw/zinc/11/97/15/734119715.db2.gz IPKCEAIRJLJZFO-JTQLQIEISA-N 1 2 264.325 1.063 20 10 CDCDLO CCCOc1ccccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000819399269 734358887 /nfs/dbraw/zinc/35/88/87/734358887.db2.gz SFVFHWMGAFVKQM-CQSZACIVSA-N 1 2 294.395 1.580 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)CCc2c[nH+]cn2C)c1 ZINC000862757590 735232731 /nfs/dbraw/zinc/23/27/31/735232731.db2.gz ZGZUFKNDNAMNOZ-UHFFFAOYSA-N 1 2 273.336 1.683 20 10 CDCDLO NC(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000183449661 735241088 /nfs/dbraw/zinc/24/10/88/735241088.db2.gz IXRIONZOJFTGKB-SECBINFHSA-N 1 2 254.717 1.353 20 10 CDCDLO NC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000183449661 735241095 /nfs/dbraw/zinc/24/10/95/735241095.db2.gz IXRIONZOJFTGKB-SECBINFHSA-N 1 2 254.717 1.353 20 10 CDCDLO C[N@H+](Cc1c(O)ccc(Cl)c1F)[C@@]1(CO)CCOC1 ZINC000862426308 736248364 /nfs/dbraw/zinc/24/83/64/736248364.db2.gz DKDIAMHAPQHYFQ-CYBMUJFWSA-N 1 2 289.734 1.768 20 10 CDCDLO C[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@@]1(CO)CCOC1 ZINC000862426308 736248368 /nfs/dbraw/zinc/24/83/68/736248368.db2.gz DKDIAMHAPQHYFQ-CYBMUJFWSA-N 1 2 289.734 1.768 20 10 CDCDLO C[N@@H+]1CCC12CN(C(=O)c1cc3cc(O)c(O)cc3[nH]1)C2 ZINC001269476520 903845074 /nfs/dbraw/zinc/84/50/74/903845074.db2.gz ICBOHCLSWNOJDZ-UHFFFAOYSA-N 1 2 287.319 1.109 20 10 CDCDLO C[N@H+]1CCC12CN(C(=O)c1cc3cc(O)c(O)cc3[nH]1)C2 ZINC001269476520 903845088 /nfs/dbraw/zinc/84/50/88/903845088.db2.gz ICBOHCLSWNOJDZ-UHFFFAOYSA-N 1 2 287.319 1.109 20 10 CDCDLO Oc1cccc(F)c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001137832812 936417514 /nfs/dbraw/zinc/41/75/14/936417514.db2.gz IVNOXYLCPBAGDP-NSHDSACASA-N 1 2 266.316 1.048 20 10 CDCDLO Oc1cccc(F)c1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001137832812 936417517 /nfs/dbraw/zinc/41/75/17/936417517.db2.gz IVNOXYLCPBAGDP-NSHDSACASA-N 1 2 266.316 1.048 20 10 CDCDLO Oc1cc(Cl)ccc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001140461189 936711872 /nfs/dbraw/zinc/71/18/72/936711872.db2.gz GOZOAAYDFKCCOD-CQSZACIVSA-N 1 2 296.798 1.952 20 10 CDCDLO Oc1cc(Cl)ccc1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001140461189 936711873 /nfs/dbraw/zinc/71/18/73/936711873.db2.gz GOZOAAYDFKCCOD-CQSZACIVSA-N 1 2 296.798 1.952 20 10 CDCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001140582982 936726907 /nfs/dbraw/zinc/72/69/07/936726907.db2.gz RQUMPGIDFWNAEL-ZYHUDNBSSA-N 1 2 275.270 1.965 20 10 CDCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001140582982 936726908 /nfs/dbraw/zinc/72/69/08/936726908.db2.gz RQUMPGIDFWNAEL-ZYHUDNBSSA-N 1 2 275.270 1.965 20 10 CDCDLO CC[C@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001257428267 933592222 /nfs/dbraw/zinc/59/22/22/933592222.db2.gz VBWCHUFZRGWBNX-ONGXEEELSA-N 1 2 267.325 1.570 20 10 CDCDLO COc1cc(C[N@H+](C)Cc2cncnc2)cc(O)c1O ZINC001204351587 939759901 /nfs/dbraw/zinc/75/99/01/939759901.db2.gz VELNYKUVWIONKT-UHFFFAOYSA-N 1 2 275.308 1.528 20 10 CDCDLO COc1cc(C[N@@H+](C)Cc2cncnc2)cc(O)c1O ZINC001204351587 939759902 /nfs/dbraw/zinc/75/99/02/939759902.db2.gz VELNYKUVWIONKT-UHFFFAOYSA-N 1 2 275.308 1.528 20 10 CDCDLO O=C1CCCN1CC[NH2+]Cc1cccc(Cl)c1O ZINC000405304715 940980349 /nfs/dbraw/zinc/98/03/49/940980349.db2.gz WEDFBCGDVIMZEX-UHFFFAOYSA-N 1 2 268.744 1.758 20 10 CDCDLO CC(C)(C)[NH+]1CC(Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226465716 942010539 /nfs/dbraw/zinc/01/05/39/942010539.db2.gz WTDVVDCWQNYCHG-UHFFFAOYSA-N 1 2 285.296 1.076 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2O)CCC1=O ZINC001231591543 942937993 /nfs/dbraw/zinc/93/79/93/942937993.db2.gz GHPGBUHQHPZUGZ-CYBMUJFWSA-N 1 2 291.347 1.655 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(C)c2O)CCC1=O ZINC001231591543 942937999 /nfs/dbraw/zinc/93/79/99/942937999.db2.gz GHPGBUHQHPZUGZ-CYBMUJFWSA-N 1 2 291.347 1.655 20 10 CDCDLO COc1cc(C[N@@H+]2CCc3ncncc3C2)c(O)cc1O ZINC001231636099 942951085 /nfs/dbraw/zinc/95/10/85/942951085.db2.gz QWIKGIILUUXKJZ-UHFFFAOYSA-N 1 2 287.319 1.455 20 10 CDCDLO COc1cc(C[N@H+]2CCc3ncncc3C2)c(O)cc1O ZINC001231636099 942951091 /nfs/dbraw/zinc/95/10/91/942951091.db2.gz QWIKGIILUUXKJZ-UHFFFAOYSA-N 1 2 287.319 1.455 20 10 CDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232262929 943194098 /nfs/dbraw/zinc/19/40/98/943194098.db2.gz WJMQMXIUONCQSO-ZETCQYMHSA-N 1 2 273.716 1.745 20 10 CDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232262929 943194100 /nfs/dbraw/zinc/19/41/00/943194100.db2.gz WJMQMXIUONCQSO-ZETCQYMHSA-N 1 2 273.716 1.745 20 10 CDCDLO COC(=O)C1C[NH+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232266251 943195361 /nfs/dbraw/zinc/19/53/61/943195361.db2.gz KZXYEUXTJZWAPQ-UHFFFAOYSA-N 1 2 285.727 1.659 20 10 CDCDLO C[C@@]1(CO)CC[N@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC001233076788 943485105 /nfs/dbraw/zinc/48/51/05/943485105.db2.gz VDWRATXWTBMETJ-FZMZJTMJSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@@]1(CO)CC[N@@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC001233076788 943485109 /nfs/dbraw/zinc/48/51/09/943485109.db2.gz VDWRATXWTBMETJ-FZMZJTMJSA-N 1 2 287.306 1.236 20 10 CDCDLO CN1CC[N@H+](Cc2c(O)ccc(F)c2F)CCC1=O ZINC001233334294 943545627 /nfs/dbraw/zinc/54/56/27/943545627.db2.gz ATOKGZSAHVPBGQ-UHFFFAOYSA-N 1 2 270.279 1.335 20 10 CDCDLO CN1CC[N@@H+](Cc2c(O)ccc(F)c2F)CCC1=O ZINC001233334294 943545631 /nfs/dbraw/zinc/54/56/31/943545631.db2.gz ATOKGZSAHVPBGQ-UHFFFAOYSA-N 1 2 270.279 1.335 20 10 CDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H](C)CC1CC1 ZINC001258447493 948848447 /nfs/dbraw/zinc/84/84/47/948848447.db2.gz DPFIBKSRHAEVAY-MFKMUULPSA-N 1 2 293.363 1.960 20 10 CDCDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179904069 357230099 /nfs/dbraw/zinc/23/00/99/357230099.db2.gz HWIHCASRTKNHOJ-LLVKDONJSA-N 1 2 253.273 1.669 20 10 CDCDLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000179904069 357230102 /nfs/dbraw/zinc/23/01/02/357230102.db2.gz HWIHCASRTKNHOJ-LLVKDONJSA-N 1 2 253.273 1.669 20 10 CDCDLO CNC(=O)CC[N@H+](C)Cc1cccc(Cl)c1O ZINC000180030585 357237403 /nfs/dbraw/zinc/23/74/03/357237403.db2.gz JUZWOGNLCXSJAB-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO CNC(=O)CC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180030585 357237406 /nfs/dbraw/zinc/23/74/06/357237406.db2.gz JUZWOGNLCXSJAB-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO C[C@H](c1nnnn1C1CC1)[N@H+](C)Cc1ccccc1O ZINC000192102805 358175601 /nfs/dbraw/zinc/17/56/01/358175601.db2.gz JPMQCZQBKQCNEI-SNVBAGLBSA-N 1 2 273.340 1.907 20 10 CDCDLO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(F)c(F)c1O ZINC000278636936 299313581 /nfs/dbraw/zinc/31/35/81/299313581.db2.gz DDLYCFSKWRCKGO-QIBSRJKCSA-N 1 2 287.306 1.861 20 10 CDCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](CO)C2)c1O ZINC000271694937 364994100 /nfs/dbraw/zinc/99/41/00/364994100.db2.gz ALZZKPPVNYFLBM-GFCCVEGCSA-N 1 2 271.744 1.547 20 10 CDCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](CO)C2)c1O ZINC000271694937 364994107 /nfs/dbraw/zinc/99/41/07/364994107.db2.gz ALZZKPPVNYFLBM-GFCCVEGCSA-N 1 2 271.744 1.547 20 10 CDCDLO COCC[C@@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000281179676 367600343 /nfs/dbraw/zinc/60/03/43/367600343.db2.gz HQFFUIKREUPWOL-JTQLQIEISA-N 1 2 259.733 1.533 20 10 CDCDLO COc1cc(O)c(C[N@H+](C)Cc2nncn2C)cc1OC ZINC000288550978 369467459 /nfs/dbraw/zinc/46/74/59/369467459.db2.gz ITZJXFNKLGKUAI-UHFFFAOYSA-N 1 2 292.339 1.170 20 10 CDCDLO COc1cc(O)c(C[N@@H+](C)Cc2nncn2C)cc1OC ZINC000288550978 369467463 /nfs/dbraw/zinc/46/74/63/369467463.db2.gz ITZJXFNKLGKUAI-UHFFFAOYSA-N 1 2 292.339 1.170 20 10 CDCDLO C[C@H](CN1CCOCC1)[NH2+]Cc1cccc(Cl)c1O ZINC000124708267 391224864 /nfs/dbraw/zinc/22/48/64/391224864.db2.gz QATQUFUVBKCBFP-LLVKDONJSA-N 1 2 284.787 1.856 20 10 CDCDLO COCC[C@@](C)(O)C[NH2+]Cc1cccc(Cl)c1O ZINC000182210999 391231690 /nfs/dbraw/zinc/23/16/90/391231690.db2.gz GYRTZDZITBJFIS-CYBMUJFWSA-N 1 2 273.760 1.923 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ncon1)OCO2 ZINC000360156388 391643164 /nfs/dbraw/zinc/64/31/64/391643164.db2.gz CTJWWQSVXCKUMW-JTQLQIEISA-N 1 2 289.291 1.841 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ncon1)OCO2 ZINC000360156388 391643167 /nfs/dbraw/zinc/64/31/67/391643167.db2.gz CTJWWQSVXCKUMW-JTQLQIEISA-N 1 2 289.291 1.841 20 10 CDCDLO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000281588255 292689945 /nfs/dbraw/zinc/68/99/45/292689945.db2.gz LNJOEXBTJINCIJ-RKDXNWHRSA-N 1 2 275.295 1.718 20 10 CDCDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C)ccc1N(C)C ZINC000292958135 301274136 /nfs/dbraw/zinc/27/41/36/301274136.db2.gz CLXONWKQEDBNKN-GFCCVEGCSA-N 1 2 261.369 1.381 20 10 CDCDLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C)ccc1N(C)C ZINC000292958135 301274140 /nfs/dbraw/zinc/27/41/40/301274140.db2.gz CLXONWKQEDBNKN-GFCCVEGCSA-N 1 2 261.369 1.381 20 10 CDCDLO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000276885454 328219713 /nfs/dbraw/zinc/21/97/13/328219713.db2.gz GQENYVDEKDBZGY-UFBFGSQYSA-N 1 2 297.305 1.788 20 10 CDCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000275639449 334793126 /nfs/dbraw/zinc/79/31/26/334793126.db2.gz CJIAPHCZCZWKNF-NXEZZACHSA-N 1 2 276.340 1.941 20 10 CDCDLO Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)c(O)c1O ZINC000291794828 526134069 /nfs/dbraw/zinc/13/40/69/526134069.db2.gz BESVYLITDDCSSS-UHFFFAOYSA-N 1 2 273.292 1.259 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCc3c[nH]nc3C1)OCO2 ZINC000769469310 576357141 /nfs/dbraw/zinc/35/71/41/576357141.db2.gz WKSZQYJDAPMYMH-UHFFFAOYSA-N 1 2 273.292 1.402 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCc3c[nH]nc3C1)OCO2 ZINC000769469310 576357142 /nfs/dbraw/zinc/35/71/42/576357142.db2.gz WKSZQYJDAPMYMH-UHFFFAOYSA-N 1 2 273.292 1.402 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCc3cn[nH]c3C1)OCO2 ZINC000769469310 576357143 /nfs/dbraw/zinc/35/71/43/576357143.db2.gz WKSZQYJDAPMYMH-UHFFFAOYSA-N 1 2 273.292 1.402 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCc3cn[nH]c3C1)OCO2 ZINC000769469310 576357144 /nfs/dbraw/zinc/35/71/44/576357144.db2.gz WKSZQYJDAPMYMH-UHFFFAOYSA-N 1 2 273.292 1.402 20 10 CDCDLO COC[C@H](O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756777037 577003619 /nfs/dbraw/zinc/00/36/19/577003619.db2.gz GAPWWPMTFYPQPD-PSASIEDQSA-N 1 2 275.295 1.718 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000756770823 577003753 /nfs/dbraw/zinc/00/37/53/577003753.db2.gz XMJLQOFYOWYACO-RKDXNWHRSA-N 1 2 252.270 1.740 20 10 CDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ncn(C)n2)c1 ZINC000756779792 577004297 /nfs/dbraw/zinc/00/42/97/577004297.db2.gz MAHQNTRLYYDFLU-SECBINFHSA-N 1 2 290.323 1.158 20 10 CDCDLO CCOC(=O)/C(=C\c1c[nH+]cn1CC)c1nccn1C ZINC000901464921 624281334 /nfs/dbraw/zinc/28/13/34/624281334.db2.gz PZKMJETZPDAYER-WQLSENKSSA-N 1 2 274.324 1.740 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1cc(F)cc(F)c1O ZINC000863544674 736666881 /nfs/dbraw/zinc/66/68/81/736666881.db2.gz BEENQJCWRIRBDK-PSASIEDQSA-N 1 2 272.295 1.309 20 10 CDCDLO Cc1cc(C[N@@H+]2CCc3nn[nH]c3C2)ccc1N(C)C ZINC000815100808 736689597 /nfs/dbraw/zinc/68/95/97/736689597.db2.gz VFOXGJFHKUYJAF-UHFFFAOYSA-N 1 2 271.368 1.737 20 10 CDCDLO Cc1cc(C[N@H+]2CCc3nn[nH]c3C2)ccc1N(C)C ZINC000815100808 736689602 /nfs/dbraw/zinc/68/96/02/736689602.db2.gz VFOXGJFHKUYJAF-UHFFFAOYSA-N 1 2 271.368 1.737 20 10 CDCDLO COc1ccc(O)c([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000793688415 738635698 /nfs/dbraw/zinc/63/56/98/738635698.db2.gz GIFQTODAIGIJAY-JTQLQIEISA-N 1 2 289.335 1.934 20 10 CDCDLO COc1ccc(O)c([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000793688415 738635703 /nfs/dbraw/zinc/63/57/03/738635703.db2.gz GIFQTODAIGIJAY-JTQLQIEISA-N 1 2 289.335 1.934 20 10 CDCDLO Cc1ccc(O)c(CNS(=O)(=O)CCn2cc[nH+]c2)c1 ZINC000882440939 738790293 /nfs/dbraw/zinc/79/02/93/738790293.db2.gz CXMIPZDGZMUBHI-UHFFFAOYSA-N 1 2 295.364 1.017 20 10 CDCDLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cc(F)ccc1O ZINC000779034165 736718953 /nfs/dbraw/zinc/71/89/53/736718953.db2.gz PLBNUSKYTILRCJ-CABZTGNLSA-N 1 2 255.289 1.113 20 10 CDCDLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cc(F)ccc1O ZINC000779034165 736718962 /nfs/dbraw/zinc/71/89/62/736718962.db2.gz PLBNUSKYTILRCJ-CABZTGNLSA-N 1 2 255.289 1.113 20 10 CDCDLO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000124860981 738181707 /nfs/dbraw/zinc/18/17/07/738181707.db2.gz PKTPGPNTZGHIJP-SNVBAGLBSA-N 1 2 289.784 1.712 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2CCCNC(=O)C2)cc1Cl ZINC000824627512 739032042 /nfs/dbraw/zinc/03/20/42/739032042.db2.gz PBYQEXQWVQKASV-UHFFFAOYSA-N 1 2 268.744 1.676 20 10 CDCDLO Cc1cc(C)c(CNC(=O)Cc2c[nH]c[nH+]2)c(O)c1 ZINC001176835759 914300495 /nfs/dbraw/zinc/30/04/95/914300495.db2.gz BOXXVYSORJLJTK-UHFFFAOYSA-N 1 2 259.309 1.591 20 10 CDCDLO CC[N@H+](CC(N)=O)Cc1cccc(Br)c1O ZINC000188465987 899887832 /nfs/dbraw/zinc/88/78/32/899887832.db2.gz SCNRMEJUSYKKRQ-UHFFFAOYSA-N 1 2 287.157 1.462 20 10 CDCDLO CC[N@@H+](CC(N)=O)Cc1cccc(Br)c1O ZINC000188465987 899887840 /nfs/dbraw/zinc/88/78/40/899887840.db2.gz SCNRMEJUSYKKRQ-UHFFFAOYSA-N 1 2 287.157 1.462 20 10 CDCDLO C[N@@H+]1CCC2(C1)CCN(C(=O)c1cc(O)[nH]c(=O)c1)CC2 ZINC001269920323 904210251 /nfs/dbraw/zinc/21/02/51/904210251.db2.gz XWHPPYRSDFUULE-UHFFFAOYSA-N 1 2 291.351 1.051 20 10 CDCDLO C[N@H+]1CCC2(C1)CCN(C(=O)c1cc(O)[nH]c(=O)c1)CC2 ZINC001269920323 904210264 /nfs/dbraw/zinc/21/02/64/904210264.db2.gz XWHPPYRSDFUULE-UHFFFAOYSA-N 1 2 291.351 1.051 20 10 CDCDLO O=S1CC2(C[NH+](Cc3cccc(F)c3O)C2)C1 ZINC001138123585 936473499 /nfs/dbraw/zinc/47/34/99/936473499.db2.gz AKJBKYBAQDRJTJ-UHFFFAOYSA-N 1 2 255.314 1.096 20 10 CDCDLO CCC(=O)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156399 936821441 /nfs/dbraw/zinc/82/14/41/936821441.db2.gz WHQHHTNZZRKBOJ-UHFFFAOYSA-N 1 2 264.325 1.152 20 10 CDCDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014661 943463107 /nfs/dbraw/zinc/46/31/07/943463107.db2.gz BBUUPSAVGNWBMZ-LLVKDONJSA-N 1 2 294.351 1.294 20 10 CDCDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014661 943463110 /nfs/dbraw/zinc/46/31/10/943463110.db2.gz BBUUPSAVGNWBMZ-LLVKDONJSA-N 1 2 294.351 1.294 20 10 CDCDLO CCc1ccc(C[N@@H+]2CCO[C@H](CC(=O)OC)C2)c(O)c1 ZINC001236795671 944572027 /nfs/dbraw/zinc/57/20/27/944572027.db2.gz YOFCUGYXVCYXLN-CQSZACIVSA-N 1 2 293.363 1.719 20 10 CDCDLO CCc1ccc(C[N@H+]2CCO[C@H](CC(=O)OC)C2)c(O)c1 ZINC001236795671 944572035 /nfs/dbraw/zinc/57/20/35/944572035.db2.gz YOFCUGYXVCYXLN-CQSZACIVSA-N 1 2 293.363 1.719 20 10 CDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001320690103 959329051 /nfs/dbraw/zinc/32/90/51/959329051.db2.gz DYLGZRCTISGXLS-MNOVXSKESA-N 1 2 289.335 1.603 20 10 CDCDLO C[C@H](CC(=O)NCc1cccc(O)c1O)n1cc[nH+]c1 ZINC001347541154 965578440 /nfs/dbraw/zinc/57/84/40/965578440.db2.gz CZFBUQUJPFCBAL-SNVBAGLBSA-N 1 2 275.308 1.562 20 10 CDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000188785557 357937060 /nfs/dbraw/zinc/93/70/60/357937060.db2.gz UDIHKEIHLODYRR-VXGBXAGGSA-N 1 2 299.754 1.544 20 10 CDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000188785557 357937065 /nfs/dbraw/zinc/93/70/65/357937065.db2.gz UDIHKEIHLODYRR-VXGBXAGGSA-N 1 2 299.754 1.544 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCNC(=O)C2(C)C)cc1F ZINC000131732460 361139148 /nfs/dbraw/zinc/13/91/48/361139148.db2.gz UJTFASSDZPPSTK-UHFFFAOYSA-N 1 2 279.359 1.602 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCNC(=O)C2(C)C)cc1F ZINC000131732460 361139153 /nfs/dbraw/zinc/13/91/53/361139153.db2.gz UJTFASSDZPPSTK-UHFFFAOYSA-N 1 2 279.359 1.602 20 10 CDCDLO COCCc1noc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000109769763 390648839 /nfs/dbraw/zinc/64/88/39/390648839.db2.gz QJSJJSKXDCUGFK-UHFFFAOYSA-N 1 2 277.324 1.596 20 10 CDCDLO COCCc1noc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000109769763 390648841 /nfs/dbraw/zinc/64/88/41/390648841.db2.gz QJSJJSKXDCUGFK-UHFFFAOYSA-N 1 2 277.324 1.596 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@H]2CC)c1 ZINC000093050606 390899308 /nfs/dbraw/zinc/89/93/08/390899308.db2.gz PDTSZQRRJMVDSY-CYBMUJFWSA-N 1 2 278.352 1.501 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CCNC(=O)[C@H]2CC)c1 ZINC000093050606 390899309 /nfs/dbraw/zinc/89/93/09/390899309.db2.gz PDTSZQRRJMVDSY-CYBMUJFWSA-N 1 2 278.352 1.501 20 10 CDCDLO C[C@@H](Cc1ccc(O)c(O)c1)Nc1[nH+]cnc2c1cnn2C ZINC000184147734 262010919 /nfs/dbraw/zinc/01/09/19/262010919.db2.gz BQFALVYYTWNFHR-VIFPVBQESA-N 1 2 299.334 1.818 20 10 CDCDLO Cc1cc(O)c(C[NH2+][C@@H](C)c2ncn(C)n2)cc1C ZINC000275870707 525323845 /nfs/dbraw/zinc/32/38/45/525323845.db2.gz VKAWALLMNATSDC-NSHDSACASA-N 1 2 260.341 1.988 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000276966058 525478623 /nfs/dbraw/zinc/47/86/23/525478623.db2.gz SRQOKLUIPXGMJJ-PRHODGIISA-N 1 2 297.305 1.788 20 10 CDCDLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000364867284 527599261 /nfs/dbraw/zinc/59/92/61/527599261.db2.gz XDSKJWYLAXPBHQ-YUMQZZPRSA-N 1 2 275.707 1.112 20 10 CDCDLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000364867284 527599266 /nfs/dbraw/zinc/59/92/66/527599266.db2.gz XDSKJWYLAXPBHQ-YUMQZZPRSA-N 1 2 275.707 1.112 20 10 CDCDLO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756661277 576999270 /nfs/dbraw/zinc/99/92/70/576999270.db2.gz QGMRSQSRROQTLO-RQJHMYQMSA-N 1 2 258.268 1.585 20 10 CDCDLO OC[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H]1CCCOC1 ZINC000840964639 617852703 /nfs/dbraw/zinc/85/27/03/617852703.db2.gz ZLOMOSVIHLIYSI-WCQYABFASA-N 1 2 285.771 1.923 20 10 CDCDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000893954905 618221361 /nfs/dbraw/zinc/22/13/61/618221361.db2.gz QKZPCWLEPQQUKW-CYBMUJFWSA-N 1 2 296.317 1.913 20 10 CDCDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000893954905 618221363 /nfs/dbraw/zinc/22/13/63/618221363.db2.gz QKZPCWLEPQQUKW-CYBMUJFWSA-N 1 2 296.317 1.913 20 10 CDCDLO CNC(=O)CCC[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894062524 618325830 /nfs/dbraw/zinc/32/58/30/618325830.db2.gz YOUDYPJPOXMZTG-UHFFFAOYSA-N 1 2 272.295 1.628 20 10 CDCDLO CNC(=O)CCC[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894062524 618325842 /nfs/dbraw/zinc/32/58/42/618325842.db2.gz YOUDYPJPOXMZTG-UHFFFAOYSA-N 1 2 272.295 1.628 20 10 CDCDLO COc1cc(O)c(C[N@H+](C)Cc2ncc[nH]2)cc1OC ZINC000894586736 618976944 /nfs/dbraw/zinc/97/69/44/618976944.db2.gz UFQCCNDMUQVSLP-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO COc1cc(O)c(C[N@@H+](C)Cc2ncc[nH]2)cc1OC ZINC000894586736 618976947 /nfs/dbraw/zinc/97/69/47/618976947.db2.gz UFQCCNDMUQVSLP-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000895350483 619593789 /nfs/dbraw/zinc/59/37/89/619593789.db2.gz MZGUWHXNVVUSFO-GVJMRKKJSA-N 1 2 271.263 1.712 20 10 CDCDLO Cc1cccc(O)c1C[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000877617105 1166066505 /nfs/dbraw/zinc/06/65/05/1166066505.db2.gz KNFIISOBEZKKFH-CYBMUJFWSA-N 1 2 288.351 1.960 20 10 CDCDLO C[N@H+](Cc1ccc(F)c(F)c1[O-])C1(C[NH3+])CCC1 ZINC001578489874 1171934494 /nfs/dbraw/zinc/93/44/94/1171934494.db2.gz RNHYLPAEHGNWPK-UHFFFAOYSA-N 1 2 256.296 1.984 20 10 CDCDLO C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1(C[NH3+])CCC1 ZINC001578489874 1171934499 /nfs/dbraw/zinc/93/44/99/1171934499.db2.gz RNHYLPAEHGNWPK-UHFFFAOYSA-N 1 2 256.296 1.984 20 10 CDCDLO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978355 1173218830 /nfs/dbraw/zinc/21/88/30/1173218830.db2.gz OEGZTOWGBOFIDS-NUPCCRGMSA-N 1 2 289.339 1.136 20 10 CDCDLO C[C@H]1C[NH+](Cc2cc3c(cc2O)OCO3)C[C@H](C)S1=O ZINC000792193252 739335418 /nfs/dbraw/zinc/33/54/18/739335418.db2.gz UJLVRKREZNDLSM-UWVGGRQHSA-N 1 2 297.376 1.462 20 10 CDCDLO CN(C)c1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000130410345 739807468 /nfs/dbraw/zinc/80/74/68/739807468.db2.gz IMPLBPSMTVEODM-AWEZNQCLSA-N 1 2 298.390 1.828 20 10 CDCDLO Cc1cc(N(C)C)ccc1C[NH+]1CC(N2CC[C@@H](O)C2)C1 ZINC000846068468 741073330 /nfs/dbraw/zinc/07/33/30/741073330.db2.gz SYXFWWSKBKHKAQ-QGZVFWFLSA-N 1 2 289.423 1.312 20 10 CDCDLO OC[C@]12C[C@H]1C[N@H+](Cc1cccc(Cl)c1O)C2 ZINC000783739641 742147604 /nfs/dbraw/zinc/14/76/04/742147604.db2.gz GPEKJFDNPCWTKF-GXFFZTMASA-N 1 2 253.729 1.860 20 10 CDCDLO OC[C@]12C[C@H]1C[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC000783739641 742147607 /nfs/dbraw/zinc/14/76/07/742147607.db2.gz GPEKJFDNPCWTKF-GXFFZTMASA-N 1 2 253.729 1.860 20 10 CDCDLO CCN1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000391532716 739925102 /nfs/dbraw/zinc/92/51/02/739925102.db2.gz KOCPKWYDNXAECX-SNVBAGLBSA-N 1 2 268.744 1.756 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000883093210 740228922 /nfs/dbraw/zinc/22/89/22/740228922.db2.gz NMDOOBXPJUSHLJ-NSHDSACASA-N 1 2 279.290 1.972 20 10 CDCDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876594916 740708520 /nfs/dbraw/zinc/70/85/20/740708520.db2.gz UBENAKYJUCTNRP-SECBINFHSA-N 1 2 271.263 1.665 20 10 CDCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876594916 740708528 /nfs/dbraw/zinc/70/85/28/740708528.db2.gz UBENAKYJUCTNRP-SECBINFHSA-N 1 2 271.263 1.665 20 10 CDCDLO Cn1ncc2c1nc[nH+]c2NCCc1ccc(O)c(O)c1 ZINC000194436218 742449098 /nfs/dbraw/zinc/44/90/98/742449098.db2.gz GSQLFFXUULWHCI-UHFFFAOYSA-N 1 2 285.307 1.429 20 10 CDCDLO C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccccc1O ZINC000882502041 742820394 /nfs/dbraw/zinc/82/03/94/742820394.db2.gz FZGRGJVIJVQOKW-NSHDSACASA-N 1 2 295.364 1.269 20 10 CDCDLO COc1ccc(O)c(C[N@H+](C)Cc2cn(C)nn2)c1 ZINC000827304877 742831125 /nfs/dbraw/zinc/83/11/25/742831125.db2.gz IEOXRVNIDCRMDY-UHFFFAOYSA-N 1 2 262.313 1.161 20 10 CDCDLO COc1ccc(O)c(C[N@@H+](C)Cc2cn(C)nn2)c1 ZINC000827304877 742831131 /nfs/dbraw/zinc/83/11/31/742831131.db2.gz IEOXRVNIDCRMDY-UHFFFAOYSA-N 1 2 262.313 1.161 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2CCC3(C2)OCCO3)cc1Cl ZINC001232261045 912071652 /nfs/dbraw/zinc/07/16/52/912071652.db2.gz AMZDZNOLZZDRJV-UHFFFAOYSA-N 1 2 285.727 1.700 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CCN(c2ncncn2)CC1 ZINC001138130852 936476950 /nfs/dbraw/zinc/47/69/50/936476950.db2.gz JNDOQMGBJAENLX-UHFFFAOYSA-N 1 2 289.314 1.039 20 10 CDCDLO Nc1ccc(CCC(=O)NCc2ccccc2O)c[nH+]1 ZINC001183935491 918749983 /nfs/dbraw/zinc/74/99/83/918749983.db2.gz JIMZAFWNKRUBKC-UHFFFAOYSA-N 1 2 271.320 1.618 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC(C)(CO)C1 ZINC001139126369 936599846 /nfs/dbraw/zinc/59/98/46/936599846.db2.gz DZJZZOWOPOEKRK-UHFFFAOYSA-N 1 2 289.331 1.621 20 10 CDCDLO C[C@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CC[C@H]1O ZINC001140582251 936727255 /nfs/dbraw/zinc/72/72/55/936727255.db2.gz FQORWVYXOURLAL-QPUJVOFHSA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@H]1O ZINC001140582251 936727256 /nfs/dbraw/zinc/72/72/56/936727256.db2.gz FQORWVYXOURLAL-QPUJVOFHSA-N 1 2 257.280 1.873 20 10 CDCDLO CC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)CCO1 ZINC001140751404 936750108 /nfs/dbraw/zinc/75/01/08/936750108.db2.gz VKGCUUOORNUROS-CYBMUJFWSA-N 1 2 265.309 1.196 20 10 CDCDLO CC(=O)[C@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)CCO1 ZINC001140751404 936750109 /nfs/dbraw/zinc/75/01/09/936750109.db2.gz VKGCUUOORNUROS-CYBMUJFWSA-N 1 2 265.309 1.196 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078320 936810027 /nfs/dbraw/zinc/81/00/27/936810027.db2.gz ROZDIMDWXYBEMI-UHFFFAOYSA-N 1 2 288.391 1.990 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078320 936810030 /nfs/dbraw/zinc/81/00/30/936810030.db2.gz ROZDIMDWXYBEMI-UHFFFAOYSA-N 1 2 288.391 1.990 20 10 CDCDLO CC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC001203935364 925725627 /nfs/dbraw/zinc/72/56/27/925725627.db2.gz FSWXPVJTBKZFIZ-HNNXBMFYSA-N 1 2 262.353 1.542 20 10 CDCDLO CC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC001203935364 925725635 /nfs/dbraw/zinc/72/56/35/925725635.db2.gz FSWXPVJTBKZFIZ-HNNXBMFYSA-N 1 2 262.353 1.542 20 10 CDCDLO CC[C@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)NC ZINC000697823475 937286471 /nfs/dbraw/zinc/28/64/71/937286471.db2.gz IJHGVNXWFMOUSO-JTQLQIEISA-N 1 2 256.733 1.660 20 10 CDCDLO CCOc1ccc(CN2CCC(F)(F)[C@@H]([NH3+])C2)c(O)c1 ZINC001206682429 939332852 /nfs/dbraw/zinc/33/28/52/939332852.db2.gz BECNQKJECCUDQA-ZDUSSCGKSA-N 1 2 286.322 1.959 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CC(=O)N(CC)C[C@H]2C)c1O ZINC001203615677 939696649 /nfs/dbraw/zinc/69/66/49/939696649.db2.gz WJOXZPIHBWPJNS-GFCCVEGCSA-N 1 2 292.379 1.844 20 10 CDCDLO CCOc1cccc(C[N@H+]2CC(=O)N(CC)C[C@H]2C)c1O ZINC001203615677 939696651 /nfs/dbraw/zinc/69/66/51/939696651.db2.gz WJOXZPIHBWPJNS-GFCCVEGCSA-N 1 2 292.379 1.844 20 10 CDCDLO COc1cc(C[N@@H+]2CC[C@]23CCOC3)cc(O)c1O ZINC001204349046 939758946 /nfs/dbraw/zinc/75/89/46/939758946.db2.gz NGRZRLIYBKVEDR-CQSZACIVSA-N 1 2 265.309 1.471 20 10 CDCDLO COc1cc(C[N@H+]2CC[C@]23CCOC3)cc(O)c1O ZINC001204349046 939758950 /nfs/dbraw/zinc/75/89/50/939758950.db2.gz NGRZRLIYBKVEDR-CQSZACIVSA-N 1 2 265.309 1.471 20 10 CDCDLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260425 943193233 /nfs/dbraw/zinc/19/32/33/943193233.db2.gz QADPWNFGSQMMMI-WCBMZHEXSA-N 1 2 289.734 1.904 20 10 CDCDLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260425 943193235 /nfs/dbraw/zinc/19/32/35/943193235.db2.gz QADPWNFGSQMMMI-WCBMZHEXSA-N 1 2 289.734 1.904 20 10 CDCDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232267569 943197360 /nfs/dbraw/zinc/19/73/60/943197360.db2.gz JQTNVUUPSJRBIV-SNVBAGLBSA-N 1 2 284.743 1.591 20 10 CDCDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232267569 943197364 /nfs/dbraw/zinc/19/73/64/943197364.db2.gz JQTNVUUPSJRBIV-SNVBAGLBSA-N 1 2 284.743 1.591 20 10 CDCDLO CN(C)c1ccc(C[NH+]2CC(N3CCCC3)C2)c(O)c1 ZINC001232839129 943415391 /nfs/dbraw/zinc/41/53/91/943415391.db2.gz MDQGPWUUQFDNSP-UHFFFAOYSA-N 1 2 275.396 1.738 20 10 CDCDLO COc1ccc(C[N@H+](C)C2COC2)c(O)c1Cl ZINC001236811847 944576008 /nfs/dbraw/zinc/57/60/08/944576008.db2.gz PTGRYTPNKZZFDX-UHFFFAOYSA-N 1 2 257.717 1.885 20 10 CDCDLO COc1ccc(C[N@@H+](C)C2COC2)c(O)c1Cl ZINC001236811847 944576014 /nfs/dbraw/zinc/57/60/14/944576014.db2.gz PTGRYTPNKZZFDX-UHFFFAOYSA-N 1 2 257.717 1.885 20 10 CDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237940474 945011118 /nfs/dbraw/zinc/01/11/18/945011118.db2.gz MALQPSHDOKHGIK-JTQLQIEISA-N 1 2 286.734 1.895 20 10 CDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237940474 945011127 /nfs/dbraw/zinc/01/11/27/945011127.db2.gz MALQPSHDOKHGIK-JTQLQIEISA-N 1 2 286.734 1.895 20 10 CDCDLO Cn1cc[nH+]c1CCNC(=O)C1=CC(=O)CS1 ZINC001347713187 965668430 /nfs/dbraw/zinc/66/84/30/965668430.db2.gz ZOXNSHFWNGNEAI-UHFFFAOYSA-N 1 2 251.311 1.160 20 10 CDCDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466360 345242617 /nfs/dbraw/zinc/24/26/17/345242617.db2.gz MRWDLUXLYXJTMZ-UHFFFAOYSA-N 1 2 292.379 1.770 20 10 CDCDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466360 345242620 /nfs/dbraw/zinc/24/26/20/345242620.db2.gz MRWDLUXLYXJTMZ-UHFFFAOYSA-N 1 2 292.379 1.770 20 10 CDCDLO CNC(=O)C(C)(C)C[NH2+]Cc1cccc(Cl)c1O ZINC000224916093 360364313 /nfs/dbraw/zinc/36/43/13/360364313.db2.gz CZEOCGJEUFSKGV-UHFFFAOYSA-N 1 2 270.760 1.907 20 10 CDCDLO COC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000271184372 364965658 /nfs/dbraw/zinc/96/56/58/364965658.db2.gz MMJWSQUZEBISNN-SNVBAGLBSA-N 1 2 271.744 1.893 20 10 CDCDLO COC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000271184372 364965660 /nfs/dbraw/zinc/96/56/60/364965660.db2.gz MMJWSQUZEBISNN-SNVBAGLBSA-N 1 2 271.744 1.893 20 10 CDCDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000282667123 367982842 /nfs/dbraw/zinc/98/28/42/367982842.db2.gz HGGAJTSTFWFBSX-LLVKDONJSA-N 1 2 273.329 1.150 20 10 CDCDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000282667123 367982849 /nfs/dbraw/zinc/98/28/49/367982849.db2.gz HGGAJTSTFWFBSX-LLVKDONJSA-N 1 2 273.329 1.150 20 10 CDCDLO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(F)c(F)c1O ZINC000280181539 296116184 /nfs/dbraw/zinc/11/61/84/296116184.db2.gz AFTHTDCMROHIIE-ZCFIWIBFSA-N 1 2 294.248 1.702 20 10 CDCDLO CC[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(F)cc1O ZINC000285948270 368677141 /nfs/dbraw/zinc/67/71/41/368677141.db2.gz DUMJPOLUEQGSGA-NSHDSACASA-N 1 2 264.304 1.901 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ncnn1C ZINC000276572009 296149682 /nfs/dbraw/zinc/14/96/82/296149682.db2.gz HGXJXWQHLMQQEX-DTWKUNHWSA-N 1 2 291.311 1.841 20 10 CDCDLO CN1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000271914838 371083655 /nfs/dbraw/zinc/08/36/55/371083655.db2.gz YODZNMINTJCBRT-VIFPVBQESA-N 1 2 254.717 1.366 20 10 CDCDLO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1O)C(F)(F)F ZINC000270460550 391275091 /nfs/dbraw/zinc/27/50/91/391275091.db2.gz FMLAYVRLEXDVRV-JTQLQIEISA-N 1 2 294.229 1.703 20 10 CDCDLO CN(C)c1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1F ZINC000155160125 261098762 /nfs/dbraw/zinc/09/87/62/261098762.db2.gz MHKBDJXVMCRQDR-UHFFFAOYSA-N 1 2 288.388 1.368 20 10 CDCDLO CN(C)c1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1F ZINC000155160125 261098763 /nfs/dbraw/zinc/09/87/63/261098763.db2.gz MHKBDJXVMCRQDR-UHFFFAOYSA-N 1 2 288.388 1.368 20 10 CDCDLO COC(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000229050673 523884265 /nfs/dbraw/zinc/88/42/65/523884265.db2.gz BKPIRZTZVDYSAF-ZETCQYMHSA-N 1 2 273.716 1.705 20 10 CDCDLO OCc1cn(CCC[NH2+]Cc2cccc(Cl)c2O)nn1 ZINC000291644405 527640181 /nfs/dbraw/zinc/64/01/81/527640181.db2.gz UDHWFXHCWQAKMJ-UHFFFAOYSA-N 1 2 296.758 1.309 20 10 CDCDLO O=C(C1=CC(=O)CS1)N1CC[NH+](C2CCC2)CC1 ZINC000733366174 575116741 /nfs/dbraw/zinc/11/67/41/575116741.db2.gz NSMIEPFMAAJLHV-UHFFFAOYSA-N 1 2 266.366 1.764 20 10 CDCDLO COc1ccc(O)c(CNC(=O)CCn2cc[nH+]c2)c1 ZINC000734016459 575153356 /nfs/dbraw/zinc/15/33/56/575153356.db2.gz SUWDHYMHWMWXSJ-UHFFFAOYSA-N 1 2 275.308 1.304 20 10 CDCDLO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(F)cc1O ZINC000769985007 575406186 /nfs/dbraw/zinc/40/61/86/575406186.db2.gz FWHOLXZKZDQJDT-VIFPVBQESA-N 1 2 291.330 1.779 20 10 CDCDLO CCOC(=O)N1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768142777 576260911 /nfs/dbraw/zinc/26/09/11/576260911.db2.gz PRIISALJQRWFJR-UHFFFAOYSA-N 1 2 294.351 1.675 20 10 CDCDLO O=C1OC[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000769484457 576358473 /nfs/dbraw/zinc/35/84/73/576358473.db2.gz WQSOBRKNIVSFHW-VIFPVBQESA-N 1 2 282.727 1.682 20 10 CDCDLO O=C1OC[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000769484457 576358474 /nfs/dbraw/zinc/35/84/74/576358474.db2.gz WQSOBRKNIVSFHW-VIFPVBQESA-N 1 2 282.727 1.682 20 10 CDCDLO CN(C)c1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000746305207 576769998 /nfs/dbraw/zinc/76/99/98/576769998.db2.gz CUJQAPQLOOHCIP-AWEZNQCLSA-N 1 2 298.390 1.828 20 10 CDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2C)c1 ZINC000756539700 576994361 /nfs/dbraw/zinc/99/43/61/576994361.db2.gz RNUFJDWMCOXVIE-SNVBAGLBSA-N 1 2 289.335 1.763 20 10 CDCDLO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCC[NH2+]C2)c1[O-] ZINC000841041683 618677182 /nfs/dbraw/zinc/67/71/82/618677182.db2.gz DVDMQZIYQUXLQC-JTQLQIEISA-N 1 2 285.731 1.795 20 10 CDCDLO OC[C@]12C[C@H]1C[N@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000894535468 618947025 /nfs/dbraw/zinc/94/70/25/618947025.db2.gz UCOAGYDVHWYMIJ-TVQRCGJNSA-N 1 2 255.264 1.485 20 10 CDCDLO OC[C@]12C[C@H]1C[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000894535468 618947028 /nfs/dbraw/zinc/94/70/28/618947028.db2.gz UCOAGYDVHWYMIJ-TVQRCGJNSA-N 1 2 255.264 1.485 20 10 CDCDLO CN1C[C@H]([N@H+](C)Cc2cc(F)cc(F)c2O)CCC1=O ZINC000895387839 619625478 /nfs/dbraw/zinc/62/54/78/619625478.db2.gz DZEIXXREYKUPQL-LLVKDONJSA-N 1 2 284.306 1.723 20 10 CDCDLO CN1C[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2O)CCC1=O ZINC000895387839 619625480 /nfs/dbraw/zinc/62/54/80/619625480.db2.gz DZEIXXREYKUPQL-LLVKDONJSA-N 1 2 284.306 1.723 20 10 CDCDLO CCn1c[nH+]cc1/C=C1/SC(N2CCOCC2)=NC1=O ZINC000901444685 624255054 /nfs/dbraw/zinc/25/50/54/624255054.db2.gz ZXNRCIRVSFPTEW-YRNVUSSQSA-N 1 2 292.364 1.206 20 10 CDCDLO COc1cccc(C[NH+]2CCN(CC(C)(C)O)CC2)c1O ZINC000129994603 742876388 /nfs/dbraw/zinc/87/63/88/742876388.db2.gz ZELOGXVFYKVKFG-UHFFFAOYSA-N 1 2 294.395 1.289 20 10 CDCDLO CN1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CC1=O ZINC000776151662 743537541 /nfs/dbraw/zinc/53/75/41/743537541.db2.gz SCFLOAXTUIGIFD-SECBINFHSA-N 1 2 272.707 1.505 20 10 CDCDLO Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)c(=O)n1C ZINC000883105462 745511876 /nfs/dbraw/zinc/51/18/76/745511876.db2.gz KKEMVQKPAFOUIT-UHFFFAOYSA-N 1 2 294.301 1.967 20 10 CDCDLO O=C1C[N@@H+](Cc2c(O)cccc2Br)CCCN1 ZINC000862233032 746226319 /nfs/dbraw/zinc/22/63/19/746226319.db2.gz FKSRVVZSTRARGP-UHFFFAOYSA-N 1 2 299.168 1.477 20 10 CDCDLO O=C1C[N@H+](Cc2c(O)cccc2Br)CCCN1 ZINC000862233032 746226313 /nfs/dbraw/zinc/22/63/13/746226313.db2.gz FKSRVVZSTRARGP-UHFFFAOYSA-N 1 2 299.168 1.477 20 10 CDCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000847589412 746663722 /nfs/dbraw/zinc/66/37/22/746663722.db2.gz JBOZUVVZRJAJNV-SNVBAGLBSA-N 1 2 289.335 1.358 20 10 CDCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000847589412 746663725 /nfs/dbraw/zinc/66/37/25/746663725.db2.gz JBOZUVVZRJAJNV-SNVBAGLBSA-N 1 2 289.335 1.358 20 10 CDCDLO Cc1cc(C)c([C@H](C)[NH2+]Cc2nnn(C)n2)c(O)c1 ZINC000788797144 746955469 /nfs/dbraw/zinc/95/54/69/746955469.db2.gz WSKSCGUOFHCXAC-JTQLQIEISA-N 1 2 261.329 1.383 20 10 CDCDLO CN(C)c1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1F ZINC000806684813 747051167 /nfs/dbraw/zinc/05/11/67/747051167.db2.gz LDYLNTAAJVXKSO-UHFFFAOYSA-N 1 2 290.342 1.484 20 10 CDCDLO CCOC(=O)C[N@H+](CC[C@@H](C)O)Cc1ccccc1O ZINC000823575998 747380940 /nfs/dbraw/zinc/38/09/40/747380940.db2.gz GPKNXARBIOBOHC-GFCCVEGCSA-N 1 2 281.352 1.528 20 10 CDCDLO CCOC(=O)C[N@@H+](CC[C@@H](C)O)Cc1ccccc1O ZINC000823575998 747380946 /nfs/dbraw/zinc/38/09/46/747380946.db2.gz GPKNXARBIOBOHC-GFCCVEGCSA-N 1 2 281.352 1.528 20 10 CDCDLO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cn(C)nn1 ZINC000827305471 747910753 /nfs/dbraw/zinc/91/07/53/747910753.db2.gz SIVXXVBMIJKFOD-UHFFFAOYSA-N 1 2 273.384 1.822 20 10 CDCDLO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1cn(C)nn1 ZINC000827305471 747910782 /nfs/dbraw/zinc/91/07/82/747910782.db2.gz SIVXXVBMIJKFOD-UHFFFAOYSA-N 1 2 273.384 1.822 20 10 CDCDLO COc1c([O-])c(C[NH2+]CC2([NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000849350027 748334851 /nfs/dbraw/zinc/33/48/51/748334851.db2.gz NRXJPQPNTIAELL-UHFFFAOYSA-N 1 2 295.339 1.670 20 10 CDCDLO COCC[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000798967316 748694884 /nfs/dbraw/zinc/69/48/84/748694884.db2.gz VIWHWPRNWAHNIC-SNVBAGLBSA-N 1 2 277.723 1.672 20 10 CDCDLO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000834899717 748980925 /nfs/dbraw/zinc/98/09/25/748980925.db2.gz JSXKHLGODXKSIL-JGVFFNPUSA-N 1 2 272.295 1.846 20 10 CDCDLO Oc1c(CN2CC[N@@H+]3CCC[C@H]3C2)ccc(F)c1F ZINC000703447900 749317700 /nfs/dbraw/zinc/31/77/00/749317700.db2.gz NPLNDQUVNMNLII-NSHDSACASA-N 1 2 268.307 1.950 20 10 CDCDLO Oc1c(CN2CC[N@H+]3CCC[C@H]3C2)ccc(F)c1F ZINC000703447900 749317703 /nfs/dbraw/zinc/31/77/03/749317703.db2.gz NPLNDQUVNMNLII-NSHDSACASA-N 1 2 268.307 1.950 20 10 CDCDLO C[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000025480333 900035117 /nfs/dbraw/zinc/03/51/17/900035117.db2.gz AMWOYOQKEAWDCG-SECBINFHSA-N 1 2 251.282 1.342 20 10 CDCDLO C[C@@H]1COCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000025480333 900035126 /nfs/dbraw/zinc/03/51/26/900035126.db2.gz AMWOYOQKEAWDCG-SECBINFHSA-N 1 2 251.282 1.342 20 10 CDCDLO CC[N@H+](Cc1cccc(F)c1O)[C@@H](C)C(=O)OC ZINC001138131103 936476990 /nfs/dbraw/zinc/47/69/90/936476990.db2.gz PVRFUDIDGNOMQG-VIFPVBQESA-N 1 2 255.289 1.915 20 10 CDCDLO CC[N@@H+](Cc1cccc(F)c1O)[C@@H](C)C(=O)OC ZINC001138131103 936476991 /nfs/dbraw/zinc/47/69/91/936476991.db2.gz PVRFUDIDGNOMQG-VIFPVBQESA-N 1 2 255.289 1.915 20 10 CDCDLO Cc1c(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)c2ccccc2n1C ZINC001138256860 936503421 /nfs/dbraw/zinc/50/34/21/936503421.db2.gz NKTRPICUBCQYND-NHYWBVRUSA-N 1 2 289.354 1.884 20 10 CDCDLO Cc1c(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)c2ccccc2n1C ZINC001138256860 936503423 /nfs/dbraw/zinc/50/34/23/936503423.db2.gz NKTRPICUBCQYND-NHYWBVRUSA-N 1 2 289.354 1.884 20 10 CDCDLO OCC1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140581553 936727113 /nfs/dbraw/zinc/72/71/13/936727113.db2.gz ULPJNFMIKOZVBE-UHFFFAOYSA-N 1 2 257.280 1.875 20 10 CDCDLO O=C1CC[N@H+](Cc2cc(O)ccc2O)CC[C@@H]1F ZINC001141156612 936821519 /nfs/dbraw/zinc/82/15/19/936821519.db2.gz ONJXDRNZLCHGTH-NSHDSACASA-N 1 2 253.273 1.601 20 10 CDCDLO O=C1CC[N@@H+](Cc2cc(O)ccc2O)CC[C@@H]1F ZINC001141156612 936821520 /nfs/dbraw/zinc/82/15/20/936821520.db2.gz ONJXDRNZLCHGTH-NSHDSACASA-N 1 2 253.273 1.601 20 10 CDCDLO C[N@H+](C1CN(Cc2c(F)ccc(F)c2O)C1)[C@H]1CCOC1 ZINC001139684078 937414309 /nfs/dbraw/zinc/41/43/09/937414309.db2.gz QFIDCXFRCHCOJS-JTQLQIEISA-N 1 2 298.333 1.575 20 10 CDCDLO C[N@@H+](C1CN(Cc2c(F)ccc(F)c2O)C1)[C@H]1CCOC1 ZINC001139684078 937414313 /nfs/dbraw/zinc/41/43/13/937414313.db2.gz QFIDCXFRCHCOJS-JTQLQIEISA-N 1 2 298.333 1.575 20 10 CDCDLO COC(=O)CC1C[NH+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204345768 939758352 /nfs/dbraw/zinc/75/83/52/939758352.db2.gz XCDNGVJZBRRNIX-UHFFFAOYSA-N 1 2 281.308 1.101 20 10 CDCDLO OC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC001231910985 943051202 /nfs/dbraw/zinc/05/12/02/943051202.db2.gz XOOTZAWVPFMKFT-JQWIXIFHSA-N 1 2 271.744 1.221 20 10 CDCDLO OC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC001231910985 943051208 /nfs/dbraw/zinc/05/12/08/943051208.db2.gz XOOTZAWVPFMKFT-JQWIXIFHSA-N 1 2 271.744 1.221 20 10 CDCDLO CN(C)C(=O)C1C[NH+](Cc2cccc(Cl)c2O)C1 ZINC001231912015 943052814 /nfs/dbraw/zinc/05/28/14/943052814.db2.gz SMLVWVNUQYFGLK-UHFFFAOYSA-N 1 2 268.744 1.566 20 10 CDCDLO COCC[NH+](CCOC)Cc1c(O)ccc(F)c1F ZINC001233331576 943545715 /nfs/dbraw/zinc/54/57/15/943545715.db2.gz BZRZLLHGYZCGQX-UHFFFAOYSA-N 1 2 275.295 1.765 20 10 CDCDLO Cn1cc2c(n1)CC[N@@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233485822 943593926 /nfs/dbraw/zinc/59/39/26/943593926.db2.gz LVULAJQZOZPOCR-UHFFFAOYSA-N 1 2 275.308 1.095 20 10 CDCDLO Cn1cc2c(n1)CC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233485822 943593928 /nfs/dbraw/zinc/59/39/28/943593928.db2.gz LVULAJQZOZPOCR-UHFFFAOYSA-N 1 2 275.308 1.095 20 10 CDCDLO Oc1cc(O)c(C[NH+]2CC(N3CC[C@H](F)C3)C2)cc1O ZINC001233485779 943594399 /nfs/dbraw/zinc/59/43/99/943594399.db2.gz KLTDUDFXTKJMBI-JTQLQIEISA-N 1 2 282.315 1.031 20 10 CDCDLO Oc1cc(O)c(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cc1O ZINC001233485779 943594400 /nfs/dbraw/zinc/59/44/00/943594400.db2.gz KLTDUDFXTKJMBI-JTQLQIEISA-N 1 2 282.315 1.031 20 10 CDCDLO Oc1cc(O)c(CN2CC([N@H+]3CC[C@H](F)C3)C2)cc1O ZINC001233485779 943594403 /nfs/dbraw/zinc/59/44/03/943594403.db2.gz KLTDUDFXTKJMBI-JTQLQIEISA-N 1 2 282.315 1.031 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCO[C@@H](C(C)=O)C2)c(O)c1 ZINC001237046475 944647036 /nfs/dbraw/zinc/64/70/36/944647036.db2.gz CROWSENTGBAYBK-OAHLLOKOSA-N 1 2 279.336 1.581 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCO[C@@H](C(C)=O)C2)c(O)c1 ZINC001237046475 944647039 /nfs/dbraw/zinc/64/70/39/944647039.db2.gz CROWSENTGBAYBK-OAHLLOKOSA-N 1 2 279.336 1.581 20 10 CDCDLO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CC(O)C1 ZINC001237053736 944649558 /nfs/dbraw/zinc/64/95/58/944649558.db2.gz OWUUIJVEAACEKK-UHFFFAOYSA-N 1 2 277.242 1.510 20 10 CDCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCc2nncn2CC1 ZINC001237124667 944660054 /nfs/dbraw/zinc/66/00/54/944660054.db2.gz QOUPSVSHJCYXJD-UHFFFAOYSA-N 1 2 296.733 1.835 20 10 CDCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCc2nncn2CC1 ZINC001237124667 944660058 /nfs/dbraw/zinc/66/00/58/944660058.db2.gz QOUPSVSHJCYXJD-UHFFFAOYSA-N 1 2 296.733 1.835 20 10 CDCDLO C[C@@]1(O)COCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935234 945010941 /nfs/dbraw/zinc/01/09/41/945010941.db2.gz SOECFTINJQONKS-ZDUSSCGKSA-N 1 2 289.734 1.768 20 10 CDCDLO C[C@@]1(O)COCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935234 945010950 /nfs/dbraw/zinc/01/09/50/945010950.db2.gz SOECFTINJQONKS-ZDUSSCGKSA-N 1 2 289.734 1.768 20 10 CDCDLO CC(C)c1[nH]cc(CNC(=O)Cc2ccc(O)c(O)c2)[nH+]1 ZINC001304107963 956165399 /nfs/dbraw/zinc/16/53/99/956165399.db2.gz MGWVVLLVMUIDFJ-UHFFFAOYSA-N 1 2 289.335 1.803 20 10 CDCDLO CC(C)c1[nH]c(CNC(=O)Cc2ccc(O)c(O)c2)c[nH+]1 ZINC001304107963 956165408 /nfs/dbraw/zinc/16/54/08/956165408.db2.gz MGWVVLLVMUIDFJ-UHFFFAOYSA-N 1 2 289.335 1.803 20 10 CDCDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(N)=O)CC2)cc1 ZINC001320233965 959021861 /nfs/dbraw/zinc/02/18/61/959021861.db2.gz XSDNRRUAGXMZDT-GFCCVEGCSA-N 1 2 277.368 1.081 20 10 CDCDLO COc1ccc(O)c(CNC(=O)CCCn2cc[nH+]c2)c1 ZINC000072294976 356757665 /nfs/dbraw/zinc/75/76/65/356757665.db2.gz YQZOMBAGJIUYBM-UHFFFAOYSA-N 1 2 289.335 1.694 20 10 CDCDLO COC(=O)C[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000267731871 363887107 /nfs/dbraw/zinc/88/71/07/363887107.db2.gz VVSZLMIUBJOHEO-UHFFFAOYSA-N 1 2 279.292 1.258 20 10 CDCDLO COC(=O)C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000267731871 363887111 /nfs/dbraw/zinc/88/71/11/363887111.db2.gz VVSZLMIUBJOHEO-UHFFFAOYSA-N 1 2 279.292 1.258 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3ccn(C)n3)CC2)cc1 ZINC000270984667 364857509 /nfs/dbraw/zinc/85/75/09/364857509.db2.gz FFYBHXWWYVUSDN-UHFFFAOYSA-N 1 2 286.379 1.751 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000272262589 365161078 /nfs/dbraw/zinc/16/10/78/365161078.db2.gz KISAIRHNRHQVRC-NSHDSACASA-N 1 2 283.299 1.295 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000272262589 365161081 /nfs/dbraw/zinc/16/10/81/365161081.db2.gz KISAIRHNRHQVRC-NSHDSACASA-N 1 2 283.299 1.295 20 10 CDCDLO CNC(=O)NC1C[NH+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000297428650 371990977 /nfs/dbraw/zinc/99/09/77/371990977.db2.gz OEZKRVPXQBQISG-UHFFFAOYSA-N 1 2 283.759 1.467 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000271073833 391287451 /nfs/dbraw/zinc/28/74/51/391287451.db2.gz NCOOKBXWKLPDHB-UHFFFAOYSA-N 1 2 254.305 1.497 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000271073833 391287455 /nfs/dbraw/zinc/28/74/55/391287455.db2.gz NCOOKBXWKLPDHB-UHFFFAOYSA-N 1 2 254.305 1.497 20 10 CDCDLO O=C(NCC[NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000164420675 130396462 /nfs/dbraw/zinc/39/64/62/130396462.db2.gz ILCMXHAGVUKBBW-UHFFFAOYSA-N 1 2 268.744 1.661 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000280857639 328236801 /nfs/dbraw/zinc/23/68/01/328236801.db2.gz MZWPZNAZHFFGHY-MRVPVSSYSA-N 1 2 298.295 1.302 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000280857639 328236803 /nfs/dbraw/zinc/23/68/03/328236803.db2.gz MZWPZNAZHFFGHY-MRVPVSSYSA-N 1 2 298.295 1.302 20 10 CDCDLO COC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000071264740 522802785 /nfs/dbraw/zinc/80/27/85/522802785.db2.gz WYGGFQZDEDFHFS-SECBINFHSA-N 1 2 280.151 1.796 20 10 CDCDLO COc1cccc(O)c1C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000768138538 576260245 /nfs/dbraw/zinc/26/02/45/576260245.db2.gz OCRNHQYEEUMDQI-JTQLQIEISA-N 1 2 285.365 1.020 20 10 CDCDLO COc1cccc(O)c1C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000768138538 576260248 /nfs/dbraw/zinc/26/02/48/576260248.db2.gz OCRNHQYEEUMDQI-JTQLQIEISA-N 1 2 285.365 1.020 20 10 CDCDLO CCOc1ccc(C[N@H+](C)CC(=O)OC)c(O)c1 ZINC000768401627 576280729 /nfs/dbraw/zinc/28/07/29/576280729.db2.gz UANNOJLJYFYDMY-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO CCOc1ccc(C[N@@H+](C)CC(=O)OC)c(O)c1 ZINC000768401627 576280732 /nfs/dbraw/zinc/28/07/32/576280732.db2.gz UANNOJLJYFYDMY-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c1O ZINC000894497711 618918080 /nfs/dbraw/zinc/91/80/80/618918080.db2.gz PHZMGLWEKUDCOD-LLVKDONJSA-N 1 2 278.352 1.372 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CCN(C)C(=O)[C@H]2C)c1O ZINC000894497711 618918082 /nfs/dbraw/zinc/91/80/82/618918082.db2.gz PHZMGLWEKUDCOD-LLVKDONJSA-N 1 2 278.352 1.372 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c1O ZINC000898187231 621381192 /nfs/dbraw/zinc/38/11/92/621381192.db2.gz ICGQPZFRIZFDQO-WDEREUQCSA-N 1 2 289.734 1.959 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1O ZINC000898187231 621381197 /nfs/dbraw/zinc/38/11/97/621381197.db2.gz ICGQPZFRIZFDQO-WDEREUQCSA-N 1 2 289.734 1.959 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1Cl ZINC000824863938 751743121 /nfs/dbraw/zinc/74/31/21/751743121.db2.gz XUYZIWSAOUKXRE-NSHDSACASA-N 1 2 296.754 1.990 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1Cl ZINC000824863938 751743152 /nfs/dbraw/zinc/74/31/52/751743152.db2.gz XUYZIWSAOUKXRE-NSHDSACASA-N 1 2 296.754 1.990 20 10 CDCDLO COC[C@]1(CO)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000825158688 751995704 /nfs/dbraw/zinc/99/57/04/751995704.db2.gz WIOMHQWEKSJGSD-CQSZACIVSA-N 1 2 285.771 1.876 20 10 CDCDLO COC[C@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000825158688 751995724 /nfs/dbraw/zinc/99/57/24/751995724.db2.gz WIOMHQWEKSJGSD-CQSZACIVSA-N 1 2 285.771 1.876 20 10 CDCDLO COC[C@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000802659174 749951222 /nfs/dbraw/zinc/95/12/22/749951222.db2.gz FJBWIDGCTYGVDE-SECBINFHSA-N 1 2 263.696 1.282 20 10 CDCDLO CON(C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000850479649 750847346 /nfs/dbraw/zinc/84/73/46/750847346.db2.gz YEIBCZCJVAKGLM-MRVPVSSYSA-N 1 2 260.284 1.814 20 10 CDCDLO C[C@H](CC(=O)NCc1ccccc1O)n1cc[nH+]c1 ZINC000845832278 750879136 /nfs/dbraw/zinc/87/91/36/750879136.db2.gz AJEFOBVJRRHIOJ-LLVKDONJSA-N 1 2 259.309 1.856 20 10 CDCDLO COc1cccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1O ZINC000847589699 751018967 /nfs/dbraw/zinc/01/89/67/751018967.db2.gz MSSORAHVSRCSBA-JTQLQIEISA-N 1 2 289.335 1.619 20 10 CDCDLO COc1cccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1O ZINC000847589699 751018976 /nfs/dbraw/zinc/01/89/76/751018976.db2.gz MSSORAHVSRCSBA-JTQLQIEISA-N 1 2 289.335 1.619 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000127398391 752827443 /nfs/dbraw/zinc/82/74/43/752827443.db2.gz PJHSLTQCXOXFJJ-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000127398391 752827445 /nfs/dbraw/zinc/82/74/45/752827445.db2.gz PJHSLTQCXOXFJJ-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c(O)cccc1F ZINC001137832969 936418184 /nfs/dbraw/zinc/41/81/84/936418184.db2.gz OALDMTYMLIJFNS-ZBINZKHDSA-N 1 2 281.327 1.503 20 10 CDCDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(O)cccc1F ZINC001137832969 936418186 /nfs/dbraw/zinc/41/81/86/936418186.db2.gz OALDMTYMLIJFNS-ZBINZKHDSA-N 1 2 281.327 1.503 20 10 CDCDLO Oc1c(F)ccc(F)c1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001139689759 936636503 /nfs/dbraw/zinc/63/65/03/936636503.db2.gz LTPABTXZBLUAGZ-VIFPVBQESA-N 1 2 254.280 1.560 20 10 CDCDLO Oc1c(F)ccc(F)c1CN1CC[N@H+]2CC[C@H]2C1 ZINC001139689759 936636504 /nfs/dbraw/zinc/63/65/04/936636504.db2.gz LTPABTXZBLUAGZ-VIFPVBQESA-N 1 2 254.280 1.560 20 10 CDCDLO O=C1NCC[C@@]12CCC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581666 936727118 /nfs/dbraw/zinc/72/71/18/936727118.db2.gz WQXTYCQZMOZBMR-OAHLLOKOSA-N 1 2 296.317 1.773 20 10 CDCDLO O=C1NCC[C@@]12CCC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581666 936727119 /nfs/dbraw/zinc/72/71/19/936727119.db2.gz WQXTYCQZMOZBMR-OAHLLOKOSA-N 1 2 296.317 1.773 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2c(O)cc(F)cc2F)C[C@@H]1C ZINC001140585552 936728329 /nfs/dbraw/zinc/72/83/29/936728329.db2.gz NTAAALYODXAIQG-WPRPVWTQSA-N 1 2 285.290 1.911 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)C[C@@H]1C ZINC001140585552 936728331 /nfs/dbraw/zinc/72/83/31/936728331.db2.gz NTAAALYODXAIQG-WPRPVWTQSA-N 1 2 285.290 1.911 20 10 CDCDLO OC[C@H]1C[C@H](F)C[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508558 937024699 /nfs/dbraw/zinc/02/46/99/937024699.db2.gz CRVDNQROZHCOQI-WPRPVWTQSA-N 1 2 275.270 1.823 20 10 CDCDLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508558 937024702 /nfs/dbraw/zinc/02/47/02/937024702.db2.gz CRVDNQROZHCOQI-WPRPVWTQSA-N 1 2 275.270 1.823 20 10 CDCDLO CN(C)c1ccc(CN2CCC(F)(F)[C@@H]([NH3+])C2)cc1 ZINC001206656941 937657160 /nfs/dbraw/zinc/65/71/60/937657160.db2.gz NJYZZDJYMKUQJY-ZDUSSCGKSA-N 1 2 269.339 1.921 20 10 CDCDLO C[N@H+](Cc1cnc[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC000796439315 935270893 /nfs/dbraw/zinc/27/08/93/935270893.db2.gz NYBRZRNMVBUKOO-UHFFFAOYSA-N 1 2 286.379 1.878 20 10 CDCDLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC000796439315 935270897 /nfs/dbraw/zinc/27/08/97/935270897.db2.gz NYBRZRNMVBUKOO-UHFFFAOYSA-N 1 2 286.379 1.878 20 10 CDCDLO CN(C)c1cc(NCCc2cc(O)c(O)cc2O)[nH+]cn1 ZINC001157239657 938468847 /nfs/dbraw/zinc/46/88/47/938468847.db2.gz ICEPMZTWDOPUCM-UHFFFAOYSA-N 1 2 290.323 1.314 20 10 CDCDLO CN(C)c1cc(NCCc2cc(O)c(O)cc2O)nc[nH+]1 ZINC001157239657 938468848 /nfs/dbraw/zinc/46/88/48/938468848.db2.gz ICEPMZTWDOPUCM-UHFFFAOYSA-N 1 2 290.323 1.314 20 10 CDCDLO N#CN1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329586 939756634 /nfs/dbraw/zinc/75/66/34/939756634.db2.gz RBJNRZJVEJGYNV-UHFFFAOYSA-N 1 2 270.380 1.885 20 10 CDCDLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001206220633 940000678 /nfs/dbraw/zinc/00/06/78/940000678.db2.gz AWKDUXDBWQMNEZ-LLVKDONJSA-N 1 2 276.258 1.563 20 10 CDCDLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001206220633 940000681 /nfs/dbraw/zinc/00/06/81/940000681.db2.gz AWKDUXDBWQMNEZ-LLVKDONJSA-N 1 2 276.258 1.563 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC000316455113 941486493 /nfs/dbraw/zinc/48/64/93/941486493.db2.gz OTAWPCURNPWMGP-GXFFZTMASA-N 1 2 299.754 1.033 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC000316455113 941486496 /nfs/dbraw/zinc/48/64/96/941486496.db2.gz OTAWPCURNPWMGP-GXFFZTMASA-N 1 2 299.754 1.033 20 10 CDCDLO COc1cc(CN2CCc3c([nH+]cn3C)C2)c(O)cc1O ZINC001231638419 942953585 /nfs/dbraw/zinc/95/35/85/942953585.db2.gz ZXHASMFBPWJTDR-UHFFFAOYSA-N 1 2 289.335 1.398 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1cccc(Cl)c1O ZINC001231912860 943050928 /nfs/dbraw/zinc/05/09/28/943050928.db2.gz CKRCYJORYCVPTD-GFCCVEGCSA-N 1 2 298.770 1.335 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1cccc(Cl)c1O ZINC001231912860 943050934 /nfs/dbraw/zinc/05/09/34/943050934.db2.gz CKRCYJORYCVPTD-GFCCVEGCSA-N 1 2 298.770 1.335 20 10 CDCDLO C[C@@]1(CO)C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1O ZINC001231910395 943051021 /nfs/dbraw/zinc/05/10/21/943051021.db2.gz OGWDWQHATOWVSU-JSGCOSHPSA-N 1 2 285.771 1.611 20 10 CDCDLO C[C@@]1(CO)C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1O ZINC001231910395 943051029 /nfs/dbraw/zinc/05/10/29/943051029.db2.gz OGWDWQHATOWVSU-JSGCOSHPSA-N 1 2 285.771 1.611 20 10 CDCDLO C[N@H+](C1CN(Cc2ccc(F)c(F)c2O)C1)[C@@H]1CCOC1 ZINC001233078188 943486607 /nfs/dbraw/zinc/48/66/07/943486607.db2.gz KWWYJSZNPVJHRC-LLVKDONJSA-N 1 2 298.333 1.575 20 10 CDCDLO C[N@@H+](C1CN(Cc2ccc(F)c(F)c2O)C1)[C@@H]1CCOC1 ZINC001233078188 943486612 /nfs/dbraw/zinc/48/66/12/943486612.db2.gz KWWYJSZNPVJHRC-LLVKDONJSA-N 1 2 298.333 1.575 20 10 CDCDLO COc1cc(C)c(C[N@@H+]2CCNC(=O)[C@H]2C)c(O)c1 ZINC001236814134 944578453 /nfs/dbraw/zinc/57/84/53/944578453.db2.gz PGGIMVYPYNJZKV-SNVBAGLBSA-N 1 2 264.325 1.030 20 10 CDCDLO COc1cc(C)c(C[N@H+]2CCNC(=O)[C@H]2C)c(O)c1 ZINC001236814134 944578459 /nfs/dbraw/zinc/57/84/59/944578459.db2.gz PGGIMVYPYNJZKV-SNVBAGLBSA-N 1 2 264.325 1.030 20 10 CDCDLO CNC(=O)C[N@H+](C)Cc1cc(F)c(Cl)cc1O ZINC001237935191 945011843 /nfs/dbraw/zinc/01/18/43/945011843.db2.gz RAQXIYBCKXEJKK-UHFFFAOYSA-N 1 2 260.696 1.363 20 10 CDCDLO CNC(=O)C[N@@H+](C)Cc1cc(F)c(Cl)cc1O ZINC001237935191 945011854 /nfs/dbraw/zinc/01/18/54/945011854.db2.gz RAQXIYBCKXEJKK-UHFFFAOYSA-N 1 2 260.696 1.363 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(C)c1O ZINC001238062468 945045094 /nfs/dbraw/zinc/04/50/94/945045094.db2.gz QHZJOOLHODKYBQ-SECBINFHSA-N 1 2 255.289 1.833 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(C)c1O ZINC001238062468 945045105 /nfs/dbraw/zinc/04/51/05/945045105.db2.gz QHZJOOLHODKYBQ-SECBINFHSA-N 1 2 255.289 1.833 20 10 CDCDLO CNC(=O)N1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238068167 945047149 /nfs/dbraw/zinc/04/71/49/945047149.db2.gz UVXGGORTPPYWEO-UHFFFAOYSA-N 1 2 281.331 1.297 20 10 CDCDLO C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(C(=O)[O-])ccc1O ZINC001593252079 994502590 /nfs/dbraw/zinc/50/25/90/994502590.db2.gz NHPMECIIKMJWCV-CMPLNLGQSA-N 1 2 278.352 1.883 20 10 CDCDLO CCNC(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179621119 357215275 /nfs/dbraw/zinc/21/52/75/357215275.db2.gz YLOPNIKZYOMPIH-UHFFFAOYSA-N 1 2 297.786 1.893 20 10 CDCDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000179707464 357221928 /nfs/dbraw/zinc/22/19/28/357221928.db2.gz LKLBXFHFMUDOSB-INIZCTEOSA-N 1 2 291.395 1.090 20 10 CDCDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000179707464 357221929 /nfs/dbraw/zinc/22/19/29/357221929.db2.gz LKLBXFHFMUDOSB-INIZCTEOSA-N 1 2 291.395 1.090 20 10 CDCDLO C[C@@H](O)C[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000188731365 357931270 /nfs/dbraw/zinc/93/12/70/357931270.db2.gz ZHWQXEVKSCZVID-LLVKDONJSA-N 1 2 284.787 1.544 20 10 CDCDLO CCC[N@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccccc1O ZINC000091587902 358518915 /nfs/dbraw/zinc/51/89/15/358518915.db2.gz WLQCWIKGYHTEPD-UHFFFAOYSA-N 1 2 262.313 1.216 20 10 CDCDLO CCC[N@@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccccc1O ZINC000091587902 358518916 /nfs/dbraw/zinc/51/89/16/358518916.db2.gz WLQCWIKGYHTEPD-UHFFFAOYSA-N 1 2 262.313 1.216 20 10 CDCDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000272289817 365174929 /nfs/dbraw/zinc/17/49/29/365174929.db2.gz NZBSDUOICZCKHL-MHNGPXOMSA-N 1 2 271.357 1.873 20 10 CDCDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1cc(F)ccc1O ZINC000272289817 365174931 /nfs/dbraw/zinc/17/49/31/365174931.db2.gz NZBSDUOICZCKHL-MHNGPXOMSA-N 1 2 271.357 1.873 20 10 CDCDLO C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1nncn1C ZINC000273612483 365513314 /nfs/dbraw/zinc/51/33/14/365513314.db2.gz WLNLURZVVYJSKD-RKDXNWHRSA-N 1 2 291.311 1.841 20 10 CDCDLO C[C@H]([NH2+]Cc1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273362514 365488988 /nfs/dbraw/zinc/48/89/88/365488988.db2.gz DFBRNAAZUXCSLO-VIFPVBQESA-N 1 2 276.296 1.885 20 10 CDCDLO O=C(NCc1ccccc1O)C1CC[NH+](CC(F)F)CC1 ZINC000283371688 368268858 /nfs/dbraw/zinc/26/88/58/368268858.db2.gz JOGSQOXLDXSGPU-UHFFFAOYSA-N 1 2 298.333 1.986 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1O ZINC000187774671 296130103 /nfs/dbraw/zinc/13/01/03/296130103.db2.gz UVGHQCMYAOKYMC-NXEZZACHSA-N 1 2 286.322 1.652 20 10 CDCDLO Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(O)c1O ZINC000182487138 391236045 /nfs/dbraw/zinc/23/60/45/391236045.db2.gz LOIXJWWKVWWQLJ-SNVBAGLBSA-N 1 2 289.335 1.669 20 10 CDCDLO C[C@H]([NH2+]CC1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589974988 1173218012 /nfs/dbraw/zinc/21/80/12/1173218012.db2.gz DPPVNOOPVKYDSM-QMMMGPOBSA-N 1 2 259.313 1.633 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCNC(=O)C[C@H]2C)c1O ZINC000378326732 329046051 /nfs/dbraw/zinc/04/60/51/329046051.db2.gz OZUPTRSIYOSPCR-SECBINFHSA-N 1 2 294.326 1.444 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCNC(=O)C[C@H]2C)c1O ZINC000378326732 329046052 /nfs/dbraw/zinc/04/60/52/329046052.db2.gz OZUPTRSIYOSPCR-SECBINFHSA-N 1 2 294.326 1.444 20 10 CDCDLO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000230658826 333319881 /nfs/dbraw/zinc/31/98/81/333319881.db2.gz RECKMUOKLLKWKZ-VIFPVBQESA-N 1 2 264.304 1.994 20 10 CDCDLO COc1c(O)c(C[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278153814 521877180 /nfs/dbraw/zinc/87/71/80/521877180.db2.gz CQCAJARDRRVSPF-UWVGGRQHSA-N 1 2 296.323 1.918 20 10 CDCDLO COc1c(O)c(C[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278153814 521877188 /nfs/dbraw/zinc/87/71/88/521877188.db2.gz CQCAJARDRRVSPF-UWVGGRQHSA-N 1 2 296.323 1.918 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000280439054 523523906 /nfs/dbraw/zinc/52/39/06/523523906.db2.gz CLQKCRPDBFCBCT-SECBINFHSA-N 1 2 283.324 1.403 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000280439054 523523917 /nfs/dbraw/zinc/52/39/17/523523917.db2.gz CLQKCRPDBFCBCT-SECBINFHSA-N 1 2 283.324 1.403 20 10 CDCDLO COC(=O)[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000234539086 523884319 /nfs/dbraw/zinc/88/43/19/523884319.db2.gz ALLFRXPECZIWES-ZETCQYMHSA-N 1 2 288.141 1.806 20 10 CDCDLO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)CC[S@@]1=O ZINC000277418867 524510592 /nfs/dbraw/zinc/51/05/92/524510592.db2.gz ICHDTXOKDKNNGC-MLCYQJTMSA-N 1 2 271.357 1.874 20 10 CDCDLO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)CC[S@@]1=O ZINC000277418867 524510600 /nfs/dbraw/zinc/51/06/00/524510600.db2.gz ICHDTXOKDKNNGC-MLCYQJTMSA-N 1 2 271.357 1.874 20 10 CDCDLO CCCCn1nnnc1C[N@H+](C)Cc1ccccc1O ZINC000731843434 575065664 /nfs/dbraw/zinc/06/56/64/575065664.db2.gz GYEAWSWTWALQIX-UHFFFAOYSA-N 1 2 275.356 1.811 20 10 CDCDLO CCCCn1nnnc1C[N@@H+](C)Cc1ccccc1O ZINC000731843434 575065665 /nfs/dbraw/zinc/06/56/65/575065665.db2.gz GYEAWSWTWALQIX-UHFFFAOYSA-N 1 2 275.356 1.811 20 10 CDCDLO O=C1C[N@H+](Cc2cccc(Br)c2O)CCCN1 ZINC000769115951 576331412 /nfs/dbraw/zinc/33/14/12/576331412.db2.gz QONUFFDGCVYPIV-UHFFFAOYSA-N 1 2 299.168 1.477 20 10 CDCDLO O=C1C[N@@H+](Cc2cccc(Br)c2O)CCCN1 ZINC000769115951 576331413 /nfs/dbraw/zinc/33/14/13/576331413.db2.gz QONUFFDGCVYPIV-UHFFFAOYSA-N 1 2 299.168 1.477 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](C(=O)OC)C2)c1 ZINC000769333924 576347088 /nfs/dbraw/zinc/34/70/88/576347088.db2.gz WGDCPMFXIOYQIF-CQSZACIVSA-N 1 2 295.335 1.165 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](C(=O)OC)C2)c1 ZINC000769333924 576347091 /nfs/dbraw/zinc/34/70/91/576347091.db2.gz WGDCPMFXIOYQIF-CQSZACIVSA-N 1 2 295.335 1.165 20 10 CDCDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C1=CC(=O)CS1 ZINC000753842644 576861832 /nfs/dbraw/zinc/86/18/32/576861832.db2.gz PIZPWHSCBFHFBT-JTQLQIEISA-N 1 2 289.360 1.857 20 10 CDCDLO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(F)cc(F)c2O)C1 ZINC000894094710 618383496 /nfs/dbraw/zinc/38/34/96/618383496.db2.gz LVAQLDNAAZEOPK-LLVKDONJSA-N 1 2 298.333 1.971 20 10 CDCDLO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(F)cc(F)c2O)C1 ZINC000894094710 618383500 /nfs/dbraw/zinc/38/35/00/618383500.db2.gz LVAQLDNAAZEOPK-LLVKDONJSA-N 1 2 298.333 1.971 20 10 CDCDLO Oc1c(F)cc(F)cc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895259359 619503308 /nfs/dbraw/zinc/50/33/08/619503308.db2.gz LIJLJUUJPWEDBO-ZDUSSCGKSA-N 1 2 298.333 1.577 20 10 CDCDLO NC(=O)c1cc(C[NH2+]Cc2c(O)ccc(Cl)c2F)on1 ZINC000792174660 1162266263 /nfs/dbraw/zinc/26/62/63/1162266263.db2.gz YAIYNDFFPHVJTL-UHFFFAOYSA-N 1 2 299.689 1.561 20 10 CDCDLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)c(O)c1O ZINC000181964686 754705676 /nfs/dbraw/zinc/70/56/76/754705676.db2.gz NPRASGMUYATBON-UHFFFAOYSA-N 1 2 261.281 1.033 20 10 CDCDLO COCCOC1C[NH+](Cc2c(O)cccc2OC)C1 ZINC000838985634 754751855 /nfs/dbraw/zinc/75/18/55/754751855.db2.gz BJDRRIRUHMMNHQ-UHFFFAOYSA-N 1 2 267.325 1.248 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)CCn1cc[nH+]c1 ZINC000819760175 755327290 /nfs/dbraw/zinc/32/72/90/755327290.db2.gz AFDWNWQOZPZGPN-UHFFFAOYSA-N 1 2 294.351 1.781 20 10 CDCDLO CC[NH2+]CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841035341 755867621 /nfs/dbraw/zinc/86/76/21/755867621.db2.gz FBQNTMAUWTYTJF-UHFFFAOYSA-N 1 2 276.428 1.138 20 10 CDCDLO CC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCNC1=O ZINC000799737720 756308837 /nfs/dbraw/zinc/30/88/37/756308837.db2.gz LVMYCAKKEGWRDS-NSHDSACASA-N 1 2 286.734 1.895 20 10 CDCDLO CC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCNC1=O ZINC000799737720 756308831 /nfs/dbraw/zinc/30/88/31/756308831.db2.gz LVMYCAKKEGWRDS-NSHDSACASA-N 1 2 286.734 1.895 20 10 CDCDLO Cc1ccc(C[NH+]2CCN(CC[S@@](C)=O)CC2)c(O)c1 ZINC000876763901 756368438 /nfs/dbraw/zinc/36/84/38/756368438.db2.gz QTTZHGVUDPVWLA-HXUWFJFHSA-N 1 2 296.436 1.197 20 10 CDCDLO OC[C@]1(F)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000802660921 758504869 /nfs/dbraw/zinc/50/48/69/758504869.db2.gz ZKBSNDJOSBDUJE-LBPRGKRZSA-N 1 2 259.708 1.952 20 10 CDCDLO OC[C@]1(F)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000802660921 758504885 /nfs/dbraw/zinc/50/48/85/758504885.db2.gz ZKBSNDJOSBDUJE-LBPRGKRZSA-N 1 2 259.708 1.952 20 10 CDCDLO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883188797 758786853 /nfs/dbraw/zinc/78/68/53/758786853.db2.gz QYRZJXBEIGKUNG-JOTVFPGJSA-N 1 2 256.252 1.024 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(O)CC1 ZINC001139126457 936599704 /nfs/dbraw/zinc/59/97/04/936599704.db2.gz IEROHIGWVXDUHV-UHFFFAOYSA-N 1 2 289.331 1.764 20 10 CDCDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140056432 936675290 /nfs/dbraw/zinc/67/52/90/936675290.db2.gz WYBGDFYCDPEWMD-CYBMUJFWSA-N 1 2 297.326 1.685 20 10 CDCDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC001140056432 936675291 /nfs/dbraw/zinc/67/52/91/936675291.db2.gz WYBGDFYCDPEWMD-CYBMUJFWSA-N 1 2 297.326 1.685 20 10 CDCDLO OC1CCN(c2ccc(C[NH+]3CC4(CCO4)C3)cc2)CC1 ZINC001140285820 936697988 /nfs/dbraw/zinc/69/79/88/936697988.db2.gz RIJYKKQKBNNTBN-UHFFFAOYSA-N 1 2 288.391 1.622 20 10 CDCDLO CN(C)C(=O)CC[N@@H+](C)Cc1c(O)cc(F)cc1F ZINC001140583828 936728084 /nfs/dbraw/zinc/72/80/84/936728084.db2.gz VCSZNQJYJJULSE-UHFFFAOYSA-N 1 2 272.295 1.581 20 10 CDCDLO CCOC1C[NH+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141031774 936795971 /nfs/dbraw/zinc/79/59/71/936795971.db2.gz KRNPACTULLLUMH-UHFFFAOYSA-N 1 2 267.325 1.630 20 10 CDCDLO CN(C1COC1)C1C[NH+](Cc2c(O)cccc2F)C1 ZINC001137838489 923018027 /nfs/dbraw/zinc/01/80/27/923018027.db2.gz BONJYBIKXFVCBM-UHFFFAOYSA-N 1 2 266.316 1.046 20 10 CDCDLO Oc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)cc1O ZINC001203880336 939710922 /nfs/dbraw/zinc/71/09/22/939710922.db2.gz ODPYYBHWZQLTHR-UHFFFAOYSA-N 1 2 265.309 1.437 20 10 CDCDLO Oc1ccc(C[N@H+]2CCCC3(C2)OCCO3)cc1O ZINC001203880336 939710923 /nfs/dbraw/zinc/71/09/23/939710923.db2.gz ODPYYBHWZQLTHR-UHFFFAOYSA-N 1 2 265.309 1.437 20 10 CDCDLO [NH3+][C@H]1CN(Cc2c(O)ccc(F)c2F)CCC1(F)F ZINC001206684948 940078251 /nfs/dbraw/zinc/07/82/51/940078251.db2.gz VTMVOOOUKXQVGR-JTQLQIEISA-N 1 2 278.249 1.839 20 10 CDCDLO O=c1cc2[nH]cnc(O[C@@H]3C[NH2+]CC3(F)F)c-2cc1O ZINC001218239597 941048806 /nfs/dbraw/zinc/04/88/06/941048806.db2.gz OYAAFMWKZSUORB-SNVBAGLBSA-N 1 2 283.234 1.027 20 10 CDCDLO COc1cc(C[N@@H+]2CCC(=O)[C@@H](C)C2)c(O)cc1O ZINC001231634079 942948827 /nfs/dbraw/zinc/94/88/27/942948827.db2.gz HOPFNJNPXRBFSB-VIFPVBQESA-N 1 2 265.309 1.517 20 10 CDCDLO COc1cc(C[N@H+]2CCC(=O)[C@@H](C)C2)c(O)cc1O ZINC001231634079 942948833 /nfs/dbraw/zinc/94/88/33/942948833.db2.gz HOPFNJNPXRBFSB-VIFPVBQESA-N 1 2 265.309 1.517 20 10 CDCDLO COc1cc(C[NH+]2CC(C)(OC)C2)c(O)cc1O ZINC001231634988 942951836 /nfs/dbraw/zinc/95/18/36/942951836.db2.gz SNIIPQMELPYHQN-UHFFFAOYSA-N 1 2 253.298 1.327 20 10 CDCDLO COC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232835386 943414740 /nfs/dbraw/zinc/41/47/40/943414740.db2.gz BLYDZPBJEZQFMS-LBPRGKRZSA-N 1 2 264.325 1.206 20 10 CDCDLO COC(=O)[C@@H]1CC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232835386 943414743 /nfs/dbraw/zinc/41/47/43/943414743.db2.gz BLYDZPBJEZQFMS-LBPRGKRZSA-N 1 2 264.325 1.206 20 10 CDCDLO Oc1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc(O)c1O ZINC001233009805 943460400 /nfs/dbraw/zinc/46/04/00/943460400.db2.gz BRSLMISCVREHIC-LLVKDONJSA-N 1 2 293.241 1.303 20 10 CDCDLO Oc1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc(O)c1O ZINC001233009805 943460402 /nfs/dbraw/zinc/46/04/02/943460402.db2.gz BRSLMISCVREHIC-LLVKDONJSA-N 1 2 293.241 1.303 20 10 CDCDLO OCCC[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001233076202 943485489 /nfs/dbraw/zinc/48/54/89/943485489.db2.gz LEJWLHSYLZYYRC-UHFFFAOYSA-N 1 2 286.322 1.170 20 10 CDCDLO O=C1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1F ZINC001233483288 943592647 /nfs/dbraw/zinc/59/26/47/943592647.db2.gz UNPHQDXVAFDJGZ-SECBINFHSA-N 1 2 269.272 1.306 20 10 CDCDLO O=C1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1F ZINC001233483288 943592652 /nfs/dbraw/zinc/59/26/52/943592652.db2.gz UNPHQDXVAFDJGZ-SECBINFHSA-N 1 2 269.272 1.306 20 10 CDCDLO COc1cc(C)c(C[NH+]2CC(OC(C)=O)C2)c(O)c1 ZINC001236813921 944578858 /nfs/dbraw/zinc/57/88/58/944578858.db2.gz MSAGPDYDOMZHQD-UHFFFAOYSA-N 1 2 265.309 1.457 20 10 CDCDLO O=C1CC[N@H+](Cc2c(O)ccc(F)c2Cl)CCN1 ZINC001237122019 944661446 /nfs/dbraw/zinc/66/14/46/944661446.db2.gz QRYDVLYYJOUTNJ-UHFFFAOYSA-N 1 2 272.707 1.507 20 10 CDCDLO O=C1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)CCN1 ZINC001237122019 944661448 /nfs/dbraw/zinc/66/14/48/944661448.db2.gz QRYDVLYYJOUTNJ-UHFFFAOYSA-N 1 2 272.707 1.507 20 10 CDCDLO Cn1cc[nH+]c1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001349266016 966301786 /nfs/dbraw/zinc/30/17/86/966301786.db2.gz XHLXHLLVANXJLM-HYXAFXHYSA-N 1 2 287.319 1.203 20 10 CDCDLO COCCc1noc(C[N@H+](C)Cc2cc(F)ccc2O)n1 ZINC000180185475 357249203 /nfs/dbraw/zinc/24/92/03/357249203.db2.gz NKSPOEHCLZNNFO-UHFFFAOYSA-N 1 2 295.314 1.735 20 10 CDCDLO COCCc1noc(C[N@@H+](C)Cc2cc(F)ccc2O)n1 ZINC000180185475 357249218 /nfs/dbraw/zinc/24/92/18/357249218.db2.gz NKSPOEHCLZNNFO-UHFFFAOYSA-N 1 2 295.314 1.735 20 10 CDCDLO CCCOc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC000284492920 368526483 /nfs/dbraw/zinc/52/64/83/368526483.db2.gz BYZGTMAHKCKHKS-YPMHNXCESA-N 1 2 296.342 1.579 20 10 CDCDLO CCCOc1ccc(C[N@H+]2C[C@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC000284492920 368526489 /nfs/dbraw/zinc/52/64/89/368526489.db2.gz BYZGTMAHKCKHKS-YPMHNXCESA-N 1 2 296.342 1.579 20 10 CDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000287804478 369315593 /nfs/dbraw/zinc/31/55/93/369315593.db2.gz JDSKWWXFWUQZNN-NSHDSACASA-N 1 2 250.342 1.746 20 10 CDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000287804478 369315595 /nfs/dbraw/zinc/31/55/95/369315595.db2.gz JDSKWWXFWUQZNN-NSHDSACASA-N 1 2 250.342 1.746 20 10 CDCDLO COc1cccc(C[N@H+](C)Cc2nccn2C)c1O ZINC000134109364 369518059 /nfs/dbraw/zinc/51/80/59/369518059.db2.gz XPLJZTUBHNFZGL-UHFFFAOYSA-N 1 2 261.325 1.766 20 10 CDCDLO COc1cccc(C[N@@H+](C)Cc2nccn2C)c1O ZINC000134109364 369518062 /nfs/dbraw/zinc/51/80/62/369518062.db2.gz XPLJZTUBHNFZGL-UHFFFAOYSA-N 1 2 261.325 1.766 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000271721183 391301667 /nfs/dbraw/zinc/30/16/67/391301667.db2.gz KASVMIIQCKZIPF-JTQLQIEISA-N 1 2 257.717 1.239 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000271721183 391301672 /nfs/dbraw/zinc/30/16/72/391301672.db2.gz KASVMIIQCKZIPF-JTQLQIEISA-N 1 2 257.717 1.239 20 10 CDCDLO CC[C@H](CCO)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590439965 1173411265 /nfs/dbraw/zinc/41/12/65/1173411265.db2.gz VCCGFEISZXWQIZ-VHSXEESVSA-N 1 2 291.355 1.384 20 10 CDCDLO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276988433 292807583 /nfs/dbraw/zinc/80/75/83/292807583.db2.gz XCRDUVJADNAJFA-RKDXNWHRSA-N 1 2 275.295 1.718 20 10 CDCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278332726 521871730 /nfs/dbraw/zinc/87/17/30/521871730.db2.gz ZMSCFTYSRAHOOR-VHSXEESVSA-N 1 2 296.323 1.918 20 10 CDCDLO COc1c(O)c(C[N@H+]2CCO[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278332726 521871738 /nfs/dbraw/zinc/87/17/38/521871738.db2.gz ZMSCFTYSRAHOOR-VHSXEESVSA-N 1 2 296.323 1.918 20 10 CDCDLO CNC(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000037224787 524074723 /nfs/dbraw/zinc/07/47/23/524074723.db2.gz KVSRTCVPGSSMOA-UHFFFAOYSA-N 1 2 263.124 1.535 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCCNC(=O)C2)cc1F ZINC000769114120 576331025 /nfs/dbraw/zinc/33/10/25/576331025.db2.gz HZSTZIXJTPHFOI-UHFFFAOYSA-N 1 2 265.332 1.214 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCCNC(=O)C2)cc1F ZINC000769114120 576331027 /nfs/dbraw/zinc/33/10/27/576331027.db2.gz HZSTZIXJTPHFOI-UHFFFAOYSA-N 1 2 265.332 1.214 20 10 CDCDLO COC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000743472808 576641684 /nfs/dbraw/zinc/64/16/84/576641684.db2.gz KHEQTYZTHMNKET-OLZOCXBDSA-N 1 2 292.379 1.735 20 10 CDCDLO COC(=O)C1(C)C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000895058267 619243046 /nfs/dbraw/zinc/24/30/46/619243046.db2.gz SRAZFZYRXXDOOF-UHFFFAOYSA-N 1 2 271.263 1.665 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000897680896 621068958 /nfs/dbraw/zinc/06/89/58/621068958.db2.gz MVSFQLGJWYDDFC-HQJQHLMTSA-N 1 2 259.708 1.997 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000897680896 621068962 /nfs/dbraw/zinc/06/89/62/621068962.db2.gz MVSFQLGJWYDDFC-HQJQHLMTSA-N 1 2 259.708 1.997 20 10 CDCDLO O=C(NCc1ccc(O)cc1O)[C@H]1CCn2c[nH+]cc2C1 ZINC000910949291 629114367 /nfs/dbraw/zinc/11/43/67/629114367.db2.gz HRHZZGDAQJWUNK-JTQLQIEISA-N 1 2 287.319 1.173 20 10 CDCDLO C[C@@H]([NH2+][C@H]1C=CCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589952017 1173207916 /nfs/dbraw/zinc/20/79/16/1173207916.db2.gz MYMNYXYZPVEEHV-ZJUUUORDSA-N 1 2 271.324 1.942 20 10 CDCDLO CC[C@@H](COC)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604039107 1175728745 /nfs/dbraw/zinc/72/87/45/1175728745.db2.gz GFKQKSHILMREAU-UWVGGRQHSA-N 1 2 291.355 1.648 20 10 CDCDLO O=C1N[C@H]2C[N@H+](Cc3cccc(Cl)c3O)CC[C@@H]2CO1 ZINC000281119681 758964151 /nfs/dbraw/zinc/96/41/51/758964151.db2.gz BYUBNMFWCHXWQL-PWSUYJOCSA-N 1 2 296.754 1.976 20 10 CDCDLO O=C1N[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CC[C@@H]2CO1 ZINC000281119681 758964165 /nfs/dbraw/zinc/96/41/65/758964165.db2.gz BYUBNMFWCHXWQL-PWSUYJOCSA-N 1 2 296.754 1.976 20 10 CDCDLO Cc1ccc(C[NH2+]Cc2nnn(C(C)(C)C)n2)c(O)c1 ZINC000877618009 769347451 /nfs/dbraw/zinc/34/74/51/769347451.db2.gz CHAMOFXMZVWLRS-UHFFFAOYSA-N 1 2 275.356 1.732 20 10 CDCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000847296340 769351272 /nfs/dbraw/zinc/35/12/72/769351272.db2.gz FLCVHWGLVBDCEH-LBPRGKRZSA-N 1 2 286.379 1.971 20 10 CDCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000847296340 769351285 /nfs/dbraw/zinc/35/12/85/769351285.db2.gz FLCVHWGLVBDCEH-LBPRGKRZSA-N 1 2 286.379 1.971 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876587796 769402239 /nfs/dbraw/zinc/40/22/39/769402239.db2.gz QSZKCENNPZRLNB-UHFFFAOYSA-N 1 2 292.379 1.253 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876587796 769402254 /nfs/dbraw/zinc/40/22/54/769402254.db2.gz QSZKCENNPZRLNB-UHFFFAOYSA-N 1 2 292.379 1.253 20 10 CDCDLO Cn1c[nH+]cc1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000791209489 769895592 /nfs/dbraw/zinc/89/55/92/769895592.db2.gz PNPLVJVEKAHTIF-UHFFFAOYSA-N 1 2 298.390 1.879 20 10 CDCDLO CCn1cc(C[NH2+]Cc2cc(F)cc(F)c2O)nn1 ZINC000708481716 770887386 /nfs/dbraw/zinc/88/73/86/770887386.db2.gz UCYNTRKRLZGFTL-UHFFFAOYSA-N 1 2 268.267 1.572 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000224918084 771094902 /nfs/dbraw/zinc/09/49/02/771094902.db2.gz WDCUNUCBERXYBH-LBPRGKRZSA-N 1 2 257.717 1.287 20 10 CDCDLO COCC[N@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000775679319 771275265 /nfs/dbraw/zinc/27/52/65/771275265.db2.gz WUAAMOXQULTCJV-UHFFFAOYSA-N 1 2 277.723 1.625 20 10 CDCDLO COCC[N@@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000775679319 771275284 /nfs/dbraw/zinc/27/52/84/771275284.db2.gz WUAAMOXQULTCJV-UHFFFAOYSA-N 1 2 277.723 1.625 20 10 CDCDLO C[NH2+]CC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841036743 771661070 /nfs/dbraw/zinc/66/10/70/771661070.db2.gz SYJOFFWXOWWPEA-UHFFFAOYSA-N 1 2 259.693 1.263 20 10 CDCDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770352541 771701487 /nfs/dbraw/zinc/70/14/87/771701487.db2.gz OWVVWOCOQJAGHR-DGCLKSJQSA-N 1 2 282.359 1.473 20 10 CDCDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770352541 771701491 /nfs/dbraw/zinc/70/14/91/771701491.db2.gz OWVVWOCOQJAGHR-DGCLKSJQSA-N 1 2 282.359 1.473 20 10 CDCDLO C[NH+](C)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839931 772885519 /nfs/dbraw/zinc/88/55/19/772885519.db2.gz NAUXRFYVMBPDCQ-UHFFFAOYSA-N 1 2 277.151 1.877 20 10 CDCDLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(N(C)C)cc1 ZINC000807274063 773028606 /nfs/dbraw/zinc/02/86/06/773028606.db2.gz HDVBSZVVPZXAKD-LBPRGKRZSA-N 1 2 286.379 1.906 20 10 CDCDLO Oc1cccc(F)c1C[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001137833253 936417614 /nfs/dbraw/zinc/41/76/14/936417614.db2.gz YILWMIZQWRWCON-STQMWFEESA-N 1 2 275.270 1.776 20 10 CDCDLO Oc1cccc(F)c1C[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001137833253 936417615 /nfs/dbraw/zinc/41/76/15/936417615.db2.gz YILWMIZQWRWCON-STQMWFEESA-N 1 2 275.270 1.776 20 10 CDCDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466948 936712563 /nfs/dbraw/zinc/71/25/63/936712563.db2.gz NIRLFRHHOZDVHB-LLVKDONJSA-N 1 2 289.784 1.665 20 10 CDCDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466948 936712564 /nfs/dbraw/zinc/71/25/64/936712564.db2.gz NIRLFRHHOZDVHB-LLVKDONJSA-N 1 2 289.784 1.665 20 10 CDCDLO C[NH+]1CC2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 ZINC001193613065 923806498 /nfs/dbraw/zinc/80/64/98/923806498.db2.gz YWBJCUZLYSCZNS-UHFFFAOYSA-N 1 2 282.727 1.139 20 10 CDCDLO CCN1C[C@@H](C)[N@H+](Cc2cccc(OC)c2O)CC1=O ZINC001203600251 939695726 /nfs/dbraw/zinc/69/57/26/939695726.db2.gz ZLXFXHJIDXBOLL-LLVKDONJSA-N 1 2 278.352 1.453 20 10 CDCDLO CCN1C[C@@H](C)[N@@H+](Cc2cccc(OC)c2O)CC1=O ZINC001203600251 939695728 /nfs/dbraw/zinc/69/57/28/939695728.db2.gz ZLXFXHJIDXBOLL-LLVKDONJSA-N 1 2 278.352 1.453 20 10 CDCDLO Cn1ncc2c1CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203878841 939710890 /nfs/dbraw/zinc/71/08/90/939710890.db2.gz DITQRTBSTQIQMG-UHFFFAOYSA-N 1 2 259.309 1.390 20 10 CDCDLO Cn1ncc2c1CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203878841 939710892 /nfs/dbraw/zinc/71/08/92/939710892.db2.gz DITQRTBSTQIQMG-UHFFFAOYSA-N 1 2 259.309 1.390 20 10 CDCDLO COc1cc(C[NH+]2CCSCC2)cc(O)c1O ZINC001204347389 939759377 /nfs/dbraw/zinc/75/93/77/939759377.db2.gz RUDMIJCKUQHHBW-UHFFFAOYSA-N 1 2 255.339 1.655 20 10 CDCDLO Cc1c[nH]c(CCNC(=O)Cc2ccc(N)cc2)[nH+]1 ZINC001219951832 941398721 /nfs/dbraw/zinc/39/87/21/941398721.db2.gz DNBBKVJBXMPPSM-UHFFFAOYSA-N 1 2 258.325 1.202 20 10 CDCDLO COc1cc(C[NH+]2CC3(C2)CCCO3)c(O)cc1O ZINC001231633666 942950014 /nfs/dbraw/zinc/95/00/14/942950014.db2.gz RVJCJVIAVRYWQJ-UHFFFAOYSA-N 1 2 265.309 1.471 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCn2nccc2C1 ZINC001231858625 943034532 /nfs/dbraw/zinc/03/45/32/943034532.db2.gz XIEXGKHMHDMUGJ-UHFFFAOYSA-N 1 2 286.379 1.974 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCn2nccc2C1 ZINC001231858625 943034539 /nfs/dbraw/zinc/03/45/39/943034539.db2.gz XIEXGKHMHDMUGJ-UHFFFAOYSA-N 1 2 286.379 1.974 20 10 CDCDLO O=c1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)n[nH]1 ZINC001232027177 943106781 /nfs/dbraw/zinc/10/67/81/943106781.db2.gz GVCDOMNAJXYVPD-UHFFFAOYSA-N 1 2 287.319 1.542 20 10 CDCDLO O=c1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)n[nH]1 ZINC001232027177 943106786 /nfs/dbraw/zinc/10/67/86/943106786.db2.gz GVCDOMNAJXYVPD-UHFFFAOYSA-N 1 2 287.319 1.542 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)C[C@H]1O ZINC001236792062 944570656 /nfs/dbraw/zinc/57/06/56/944570656.db2.gz AYRNGDOKDACGBJ-PRHODGIISA-N 1 2 292.162 1.484 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C[C@H]1O ZINC001236792062 944570661 /nfs/dbraw/zinc/57/06/61/944570661.db2.gz AYRNGDOKDACGBJ-PRHODGIISA-N 1 2 292.162 1.484 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCO[C@H](C(C)=O)C2)c(O)c1 ZINC001237046472 944647161 /nfs/dbraw/zinc/64/71/61/944647161.db2.gz CROWSENTGBAYBK-HNNXBMFYSA-N 1 2 279.336 1.581 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCO[C@H](C(C)=O)C2)c(O)c1 ZINC001237046472 944647165 /nfs/dbraw/zinc/64/71/65/944647165.db2.gz CROWSENTGBAYBK-HNNXBMFYSA-N 1 2 279.336 1.581 20 10 CDCDLO CCC(CC)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001257285583 948563290 /nfs/dbraw/zinc/56/32/90/948563290.db2.gz NRAWQVQUWCPNKN-LBPRGKRZSA-N 1 2 281.352 1.960 20 10 CDCDLO NC(=O)c1csc(C[NH2+]Cc2c(O)cccc2Cl)n1 ZINC001308467910 956532930 /nfs/dbraw/zinc/53/29/30/956532930.db2.gz DUOZCZLNRZIGDI-UHFFFAOYSA-N 1 2 297.767 1.891 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000180287264 357259461 /nfs/dbraw/zinc/25/94/61/357259461.db2.gz NLDFVCCXBPDDND-LLVKDONJSA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000180287264 357259464 /nfs/dbraw/zinc/25/94/64/357259464.db2.gz NLDFVCCXBPDDND-LLVKDONJSA-N 1 2 299.754 1.810 20 10 CDCDLO OC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000083483187 358207777 /nfs/dbraw/zinc/20/77/77/358207777.db2.gz QEGVEFPNVHFCHF-MRVPVSSYSA-N 1 2 266.124 1.142 20 10 CDCDLO CCCNC(=O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273425728 365494577 /nfs/dbraw/zinc/49/45/77/365494577.db2.gz TZXTUQOKJYKKPA-SECBINFHSA-N 1 2 281.312 1.477 20 10 CDCDLO Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)c(O)c1O ZINC000182829851 391245588 /nfs/dbraw/zinc/24/55/88/391245588.db2.gz ZYTCPXYETCWTLI-UHFFFAOYSA-N 1 2 289.335 1.765 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCOC[C@@]23CCOC3)c1O ZINC000195017306 391374424 /nfs/dbraw/zinc/37/44/24/391374424.db2.gz PRMYHMQKLKQKCE-INIZCTEOSA-N 1 2 293.363 1.782 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCOC[C@@]23CCOC3)c1O ZINC000195017306 391374426 /nfs/dbraw/zinc/37/44/26/391374426.db2.gz PRMYHMQKLKQKCE-INIZCTEOSA-N 1 2 293.363 1.782 20 10 CDCDLO O=C(c1cccc(O)c1O)N1CCN(c2cccc[nH+]2)CC1 ZINC000184771011 262298615 /nfs/dbraw/zinc/29/86/15/262298615.db2.gz WIXDXJHKGLZUNP-UHFFFAOYSA-N 1 2 299.330 1.455 20 10 CDCDLO CCOc1cccc(C[NH2+][C@H](C(=O)OC)C2CC2)c1O ZINC000276441693 263036662 /nfs/dbraw/zinc/03/66/62/263036662.db2.gz ITLSBTGSPARSOL-ZDUSSCGKSA-N 1 2 279.336 1.832 20 10 CDCDLO NC(=O)CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000492903217 332417943 /nfs/dbraw/zinc/41/79/43/332417943.db2.gz SRNQDYIZEJRWHW-VOTSOKGWSA-N 1 2 284.319 1.332 20 10 CDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(N)cc1 ZINC000036999360 524783909 /nfs/dbraw/zinc/78/39/09/524783909.db2.gz FUFZNEXBBIAADW-LLVKDONJSA-N 1 2 258.325 1.213 20 10 CDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1O ZINC000299536811 524788022 /nfs/dbraw/zinc/78/80/22/524788022.db2.gz UJGVEYXEOBTSSS-LLVKDONJSA-N 1 2 274.324 1.477 20 10 CDCDLO Cc1cc(O)c(C[NH2+][C@H](C)c2ncn(C)n2)cc1C ZINC000275870705 525323858 /nfs/dbraw/zinc/32/38/58/525323858.db2.gz VKAWALLMNATSDC-LLVKDONJSA-N 1 2 260.341 1.988 20 10 CDCDLO OC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)[C@@H]1CCOC1 ZINC000280793326 527579516 /nfs/dbraw/zinc/57/95/16/527579516.db2.gz HQNPIQHTYVEJLB-VXGBXAGGSA-N 1 2 285.771 1.780 20 10 CDCDLO CN(CCCn1cc[nH+]c1)C(=O)C1=CC(=O)CS1 ZINC000768323604 576271797 /nfs/dbraw/zinc/27/17/97/576271797.db2.gz KYGMWLAOGCGWSC-UHFFFAOYSA-N 1 2 265.338 1.813 20 10 CDCDLO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000759173904 577156888 /nfs/dbraw/zinc/15/68/88/577156888.db2.gz RCVNRQWUXDPKBU-JSGCOSHPSA-N 1 2 296.323 1.584 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCn3cccc3C1)OCO2 ZINC000905745731 626958806 /nfs/dbraw/zinc/95/88/06/626958806.db2.gz RMSDHBPTSSTRDD-UHFFFAOYSA-N 1 2 272.304 1.938 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCn3cccc3C1)OCO2 ZINC000905745731 626958808 /nfs/dbraw/zinc/95/88/08/626958808.db2.gz RMSDHBPTSSTRDD-UHFFFAOYSA-N 1 2 272.304 1.938 20 10 CDCDLO CC[N@H+](Cc1cnn(C)n1)Cc1ccc(N(C)C)cc1 ZINC000809934399 1163119998 /nfs/dbraw/zinc/11/99/98/1163119998.db2.gz UKGPUHRXMXYMMD-UHFFFAOYSA-N 1 2 273.384 1.903 20 10 CDCDLO CC[N@@H+](Cc1cnn(C)n1)Cc1ccc(N(C)C)cc1 ZINC000809934399 1163120005 /nfs/dbraw/zinc/12/00/05/1163120005.db2.gz UKGPUHRXMXYMMD-UHFFFAOYSA-N 1 2 273.384 1.903 20 10 CDCDLO COc1cc(Cl)cc(C[NH2+][C@H](CN)C2CC2)c1O ZINC000841028027 774228399 /nfs/dbraw/zinc/22/83/99/774228399.db2.gz JOWADMWXPJHPSZ-LLVKDONJSA-N 1 2 270.760 1.881 20 10 CDCDLO CCOC(=O)[C@@H]1CSCC[N@H+]1Cc1ccccc1O ZINC000778995143 774820177 /nfs/dbraw/zinc/82/01/77/774820177.db2.gz QYPUACNBIZJZSR-LBPRGKRZSA-N 1 2 281.377 1.873 20 10 CDCDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1Cc1ccccc1O ZINC000778995143 774820173 /nfs/dbraw/zinc/82/01/73/774820173.db2.gz QYPUACNBIZJZSR-LBPRGKRZSA-N 1 2 281.377 1.873 20 10 CDCDLO COCCN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000122997862 775041308 /nfs/dbraw/zinc/04/13/08/775041308.db2.gz LXBZKTHZMNSKTN-UHFFFAOYSA-N 1 2 284.787 1.810 20 10 CDCDLO C[N@@H+]1C[C@@H]2CCN(Cc3cccc(F)c3O)[C@@H]2C1 ZINC000814174062 775378128 /nfs/dbraw/zinc/37/81/28/775378128.db2.gz XYKSUHAQBSRSLG-GXFFZTMASA-N 1 2 250.317 1.667 20 10 CDCDLO C[N@H+]1C[C@@H]2CCN(Cc3cccc(F)c3O)[C@@H]2C1 ZINC000814174062 775378142 /nfs/dbraw/zinc/37/81/42/775378142.db2.gz XYKSUHAQBSRSLG-GXFFZTMASA-N 1 2 250.317 1.667 20 10 CDCDLO Nc1ccc(CC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000819011126 775945280 /nfs/dbraw/zinc/94/52/80/775945280.db2.gz QFXKBXWCWCZCGE-NSHDSACASA-N 1 2 283.322 1.172 20 10 CDCDLO CN1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1=O ZINC000704314441 776327551 /nfs/dbraw/zinc/32/75/51/776327551.db2.gz CWZCSHBNQXDKJG-NSHDSACASA-N 1 2 268.744 1.756 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817944519 777405418 /nfs/dbraw/zinc/40/54/18/777405418.db2.gz FRXICLUAGLVURJ-BDAKNGLRSA-N 1 2 251.286 1.313 20 10 CDCDLO COCCNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1O ZINC000849028549 777573608 /nfs/dbraw/zinc/57/36/08/777573608.db2.gz NIKJMTKFFRSRPC-UHFFFAOYSA-N 1 2 292.166 1.959 20 10 CDCDLO Cc1cc(C[N@@H+]2CCSC[C@@H]2C(N)=O)ccc1N(C)C ZINC000815080695 777765641 /nfs/dbraw/zinc/76/56/41/777765641.db2.gz IGVJTHVSSFAUIF-CQSZACIVSA-N 1 2 293.436 1.464 20 10 CDCDLO Cc1cc(C[N@H+]2CCSC[C@@H]2C(N)=O)ccc1N(C)C ZINC000815080695 777765655 /nfs/dbraw/zinc/76/56/55/777765655.db2.gz IGVJTHVSSFAUIF-CQSZACIVSA-N 1 2 293.436 1.464 20 10 CDCDLO Cc1cc(O)c(CN2CC[N@@H+](C)C[C@H]2CO)cc1C ZINC000877645062 777851707 /nfs/dbraw/zinc/85/17/07/777851707.db2.gz ZOCIKGNBHVCDOV-AWEZNQCLSA-N 1 2 264.369 1.117 20 10 CDCDLO Cc1cc(O)c(CN2CC[N@H+](C)C[C@H]2CO)cc1C ZINC000877645062 777851708 /nfs/dbraw/zinc/85/17/08/777851708.db2.gz ZOCIKGNBHVCDOV-AWEZNQCLSA-N 1 2 264.369 1.117 20 10 CDCDLO CC[N@H+](CC(=O)NC)Cc1cc(F)cc(F)c1O ZINC000708381445 779829150 /nfs/dbraw/zinc/82/91/50/779829150.db2.gz AYBAVYYTVZBWFI-UHFFFAOYSA-N 1 2 258.268 1.238 20 10 CDCDLO CC[N@@H+](CC(=O)NC)Cc1cc(F)cc(F)c1O ZINC000708381445 779829165 /nfs/dbraw/zinc/82/91/65/779829165.db2.gz AYBAVYYTVZBWFI-UHFFFAOYSA-N 1 2 258.268 1.238 20 10 CDCDLO NC(=O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000183449639 780121533 /nfs/dbraw/zinc/12/15/33/780121533.db2.gz IXRIONZOJFTGKB-VIFPVBQESA-N 1 2 254.717 1.353 20 10 CDCDLO NC(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000183449639 780121543 /nfs/dbraw/zinc/12/15/43/780121543.db2.gz IXRIONZOJFTGKB-VIFPVBQESA-N 1 2 254.717 1.353 20 10 CDCDLO C[C@@H]([NH2+]CC(=O)N=S(C)(C)=O)c1ccccc1O ZINC000879650340 1166391469 /nfs/dbraw/zinc/39/14/69/1166391469.db2.gz VQISKVYIGCCSJP-SECBINFHSA-N 1 2 270.354 1.297 20 10 CDCDLO Oc1cc(Cl)ccc1C[NH+]1CC(N2CCOCC2)C1 ZINC001140466927 936712600 /nfs/dbraw/zinc/71/26/00/936712600.db2.gz MMINQSJQKRYGAE-UHFFFAOYSA-N 1 2 282.771 1.562 20 10 CDCDLO C[C@@H]1CN(Cc2c(O)cc(F)cc2F)CC[N@@H+]1C ZINC001140583663 936727774 /nfs/dbraw/zinc/72/77/74/936727774.db2.gz QFDXQHNNSVZROJ-SECBINFHSA-N 1 2 256.296 1.806 20 10 CDCDLO C[C@@H]1CN(Cc2c(O)cc(F)cc2F)CC[N@H+]1C ZINC001140583663 936727775 /nfs/dbraw/zinc/72/77/75/936727775.db2.gz QFDXQHNNSVZROJ-SECBINFHSA-N 1 2 256.296 1.806 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140744392 936748881 /nfs/dbraw/zinc/74/88/81/936748881.db2.gz WCZAMYCSLQNLLG-UHFFFAOYSA-N 1 2 253.298 1.401 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001140744392 936748882 /nfs/dbraw/zinc/74/88/82/936748882.db2.gz WCZAMYCSLQNLLG-UHFFFAOYSA-N 1 2 253.298 1.401 20 10 CDCDLO COC(=O)CC1C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001142524880 937027766 /nfs/dbraw/zinc/02/77/66/937027766.db2.gz OISQDECGZBYULB-UHFFFAOYSA-N 1 2 271.263 1.665 20 10 CDCDLO COc1cc(C)c(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c(O)c1 ZINC001276806995 941376963 /nfs/dbraw/zinc/37/69/63/941376963.db2.gz WXKFNISSDSBSJJ-OKILXGFUSA-N 1 2 292.379 1.224 20 10 CDCDLO COc1cc(C)c(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c(O)c1 ZINC001276806995 941376966 /nfs/dbraw/zinc/37/69/66/941376966.db2.gz WXKFNISSDSBSJJ-OKILXGFUSA-N 1 2 292.379 1.224 20 10 CDCDLO CCOC(=O)C1C[NH+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232264637 943195079 /nfs/dbraw/zinc/19/50/79/943195079.db2.gz DQXMRJMAKFUDME-UHFFFAOYSA-N 1 2 285.727 1.746 20 10 CDCDLO COC(C[N@H+](C)Cc1ccc(F)c(F)c1O)OC ZINC001233078275 943487305 /nfs/dbraw/zinc/48/73/05/943487305.db2.gz OGJNHXTYIUDLNX-UHFFFAOYSA-N 1 2 261.268 1.721 20 10 CDCDLO COC(C[N@@H+](C)Cc1ccc(F)c(F)c1O)OC ZINC001233078275 943487307 /nfs/dbraw/zinc/48/73/07/943487307.db2.gz OGJNHXTYIUDLNX-UHFFFAOYSA-N 1 2 261.268 1.721 20 10 CDCDLO C[C@]1(CO)C[N@H+](Cc2c(O)ccc(F)c2F)CC[C@@H]1O ZINC001233332802 943546340 /nfs/dbraw/zinc/54/63/40/943546340.db2.gz YACCPBARVLAEHE-GXTWGEPZSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@]1(CO)C[N@@H+](Cc2c(O)ccc(F)c2F)CC[C@@H]1O ZINC001233332802 943546342 /nfs/dbraw/zinc/54/63/42/943546342.db2.gz YACCPBARVLAEHE-GXTWGEPZSA-N 1 2 287.306 1.236 20 10 CDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(C)cccc2O)CCC1=O ZINC001237486182 944809881 /nfs/dbraw/zinc/80/98/81/944809881.db2.gz WQEPPGHLWFEWNP-ZDUSSCGKSA-N 1 2 291.347 1.655 20 10 CDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(C)cccc2O)CCC1=O ZINC001237486182 944809886 /nfs/dbraw/zinc/80/98/86/944809886.db2.gz WQEPPGHLWFEWNP-ZDUSSCGKSA-N 1 2 291.347 1.655 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237940526 945010136 /nfs/dbraw/zinc/01/01/36/945010136.db2.gz MALQPSHDOKHGIK-SNVBAGLBSA-N 1 2 286.734 1.895 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237940526 945010151 /nfs/dbraw/zinc/01/01/51/945010151.db2.gz MALQPSHDOKHGIK-SNVBAGLBSA-N 1 2 286.734 1.895 20 10 CDCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccc(O)c1O ZINC001521851310 970366450 /nfs/dbraw/zinc/36/64/50/970366450.db2.gz KIWIKMLHZIOTBC-SECBINFHSA-N 1 2 275.308 1.316 20 10 CDCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(O)c1O ZINC001521851310 970366457 /nfs/dbraw/zinc/36/64/57/970366457.db2.gz KIWIKMLHZIOTBC-SECBINFHSA-N 1 2 275.308 1.316 20 10 CDCDLO CCOCCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179915768 357229120 /nfs/dbraw/zinc/22/91/20/357229120.db2.gz LGPHYDBSMSWMGX-UHFFFAOYSA-N 1 2 282.359 1.685 20 10 CDCDLO COC(=O)N1CC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000273528113 291181342 /nfs/dbraw/zinc/18/13/42/291181342.db2.gz VUMKLJYXCFZOLJ-MRVPVSSYSA-N 1 2 295.295 1.402 20 10 CDCDLO CN(C)c1ccc(C[N@H+](C)Cc2nncn2C)cc1 ZINC000269448010 364196932 /nfs/dbraw/zinc/19/69/32/364196932.db2.gz FYSWNFTWMKEWCT-UHFFFAOYSA-N 1 2 259.357 1.513 20 10 CDCDLO CN(C)c1ccc(C[N@@H+](C)Cc2nncn2C)cc1 ZINC000269448010 364196937 /nfs/dbraw/zinc/19/69/37/364196937.db2.gz FYSWNFTWMKEWCT-UHFFFAOYSA-N 1 2 259.357 1.513 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(F)c(F)c1O ZINC000187728392 299355257 /nfs/dbraw/zinc/35/52/57/299355257.db2.gz JUUZJQWGKCPLSG-DTWKUNHWSA-N 1 2 284.306 1.942 20 10 CDCDLO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(F)cc2O)n1 ZINC000273446644 371165736 /nfs/dbraw/zinc/16/57/36/371165736.db2.gz NXAACHFUOQDSJJ-QMMMGPOBSA-N 1 2 264.304 1.851 20 10 CDCDLO Cc1nc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)n[nH]1 ZINC000273446644 371165742 /nfs/dbraw/zinc/16/57/42/371165742.db2.gz NXAACHFUOQDSJJ-QMMMGPOBSA-N 1 2 264.304 1.851 20 10 CDCDLO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)[nH]1 ZINC000273446644 371165748 /nfs/dbraw/zinc/16/57/48/371165748.db2.gz NXAACHFUOQDSJJ-QMMMGPOBSA-N 1 2 264.304 1.851 20 10 CDCDLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000276698387 284302766 /nfs/dbraw/zinc/30/27/66/284302766.db2.gz VLCVFWWEPMFIGB-VHSXEESVSA-N 1 2 295.339 1.818 20 10 CDCDLO COc1cccc(C[N@@H+]2CCOC[C@@]23CCOC3)c1O ZINC000195013804 375974894 /nfs/dbraw/zinc/97/48/94/375974894.db2.gz RSQSJXCPVFAFBG-HNNXBMFYSA-N 1 2 279.336 1.392 20 10 CDCDLO COc1cccc(C[N@H+]2CCOC[C@@]23CCOC3)c1O ZINC000195013804 375974903 /nfs/dbraw/zinc/97/49/03/375974903.db2.gz RSQSJXCPVFAFBG-HNNXBMFYSA-N 1 2 279.336 1.392 20 10 CDCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](C)O ZINC000281884209 391418723 /nfs/dbraw/zinc/41/87/23/391418723.db2.gz DFKCCUPVQNYURY-VIFPVBQESA-N 1 2 287.743 1.401 20 10 CDCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)NCCF ZINC000281919974 391426174 /nfs/dbraw/zinc/42/61/74/391426174.db2.gz ACSMAOFCPOQNHY-MRVPVSSYSA-N 1 2 274.723 1.609 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(-c2nn[nH]n2)c1O ZINC001589974059 1173219731 /nfs/dbraw/zinc/21/97/31/1173219731.db2.gz ONEKHXUHPXSNHV-BDAKNGLRSA-N 1 2 291.355 1.382 20 10 CDCDLO CC(C)(C[NH2+]Cc1cccc(Cl)c1O)OCCO ZINC000289985741 519269254 /nfs/dbraw/zinc/26/92/54/519269254.db2.gz BVVRNILSWVQYBQ-UHFFFAOYSA-N 1 2 273.760 1.923 20 10 CDCDLO CCNC(=O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)C(C)C ZINC000292741505 521744424 /nfs/dbraw/zinc/74/44/24/521744424.db2.gz AJQPKKXELFSZNH-ZDUSSCGKSA-N 1 2 295.339 1.551 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768401616 575130311 /nfs/dbraw/zinc/13/03/11/575130311.db2.gz TUIFSQAOYCKEBH-UHFFFAOYSA-N 1 2 296.342 1.267 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768401616 575130313 /nfs/dbraw/zinc/13/03/13/575130313.db2.gz TUIFSQAOYCKEBH-UHFFFAOYSA-N 1 2 296.342 1.267 20 10 CDCDLO COc1ccc(O)c(CNC(=O)c2c[nH+]c(C)[nH]2)c1 ZINC000734018858 575153796 /nfs/dbraw/zinc/15/37/96/575153796.db2.gz JCZMUJKXEQDGGE-UHFFFAOYSA-N 1 2 261.281 1.362 20 10 CDCDLO COC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756343244 576986383 /nfs/dbraw/zinc/98/63/83/576986383.db2.gz WGGCISKTFZGCNE-DTWKUNHWSA-N 1 2 254.286 1.986 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)N(C)C ZINC000756739442 577002629 /nfs/dbraw/zinc/00/26/29/577002629.db2.gz MZMMILWXDGWOOZ-DTWKUNHWSA-N 1 2 281.312 1.428 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891552452 617474260 /nfs/dbraw/zinc/47/42/60/617474260.db2.gz HBQQKQMICGQCRG-NSHDSACASA-N 1 2 295.335 1.547 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891552452 617474264 /nfs/dbraw/zinc/47/42/64/617474264.db2.gz HBQQKQMICGQCRG-NSHDSACASA-N 1 2 295.335 1.547 20 10 CDCDLO COC(=O)C[N@H+](Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000892218395 617559553 /nfs/dbraw/zinc/55/95/53/617559553.db2.gz VUMXCPWKOQNHDM-UHFFFAOYSA-N 1 2 295.335 1.547 20 10 CDCDLO COC(=O)C[N@@H+](Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000892218395 617559557 /nfs/dbraw/zinc/55/95/57/617559557.db2.gz VUMXCPWKOQNHDM-UHFFFAOYSA-N 1 2 295.335 1.547 20 10 CDCDLO COC[C@@H]1COCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000902557780 624945923 /nfs/dbraw/zinc/94/59/23/624945923.db2.gz AMMIBLBTYIHSOB-GFCCVEGCSA-N 1 2 297.351 1.257 20 10 CDCDLO COC[C@@H]1COCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000902557780 624945927 /nfs/dbraw/zinc/94/59/27/624945927.db2.gz AMMIBLBTYIHSOB-GFCCVEGCSA-N 1 2 297.351 1.257 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001142509030 1160688847 /nfs/dbraw/zinc/68/88/47/1160688847.db2.gz URKLVHMUEPGVFN-PRHODGIISA-N 1 2 261.243 1.575 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001142509030 1160688842 /nfs/dbraw/zinc/68/88/42/1160688842.db2.gz URKLVHMUEPGVFN-PRHODGIISA-N 1 2 261.243 1.575 20 10 CDCDLO C[C@H]([NH2+]C1CC=CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589953543 1173208369 /nfs/dbraw/zinc/20/83/69/1173208369.db2.gz DBWMIKCGCWRNGD-VIFPVBQESA-N 1 2 271.324 1.942 20 10 CDCDLO CO[C@H](C)CC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591322425 1173606315 /nfs/dbraw/zinc/60/63/15/1173606315.db2.gz QNUGKYYCWOSAJH-ZJUUUORDSA-N 1 2 291.355 1.648 20 10 CDCDLO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591323935 1173610665 /nfs/dbraw/zinc/61/06/65/1173610665.db2.gz GMKMCCCSFZLUIB-IVZWLZJFSA-N 1 2 291.355 1.646 20 10 CDCDLO Fc1cc(C[NH2+]Cc2cocn2)ccc1N1CCOCC1 ZINC000237702424 782356657 /nfs/dbraw/zinc/35/66/57/782356657.db2.gz XHGWWEIVAQEBEX-UHFFFAOYSA-N 1 2 291.326 1.940 20 10 CDCDLO COC(=O)N1CC(C)([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000798183831 782518509 /nfs/dbraw/zinc/51/85/09/782518509.db2.gz UQDYRRCPVFCSED-UHFFFAOYSA-N 1 2 284.743 1.976 20 10 CDCDLO CCC[N@H+](CC(=O)NC)Cc1cc(F)cc(F)c1O ZINC000708411428 782525088 /nfs/dbraw/zinc/52/50/88/782525088.db2.gz AHOBKKZZQYUPCM-UHFFFAOYSA-N 1 2 272.295 1.628 20 10 CDCDLO CCC[N@@H+](CC(=O)NC)Cc1cc(F)cc(F)c1O ZINC000708411428 782525100 /nfs/dbraw/zinc/52/51/00/782525100.db2.gz AHOBKKZZQYUPCM-UHFFFAOYSA-N 1 2 272.295 1.628 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnn(C)n1)c1ccc2ccccc2c1O ZINC000398099488 780274944 /nfs/dbraw/zinc/27/49/44/780274944.db2.gz HARNPRWHGPGJLK-SNVBAGLBSA-N 1 2 283.335 1.920 20 10 CDCDLO COC(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000387319809 781836180 /nfs/dbraw/zinc/83/61/80/781836180.db2.gz MPDBTAAXWQRFSY-UHFFFAOYSA-N 1 2 268.288 1.415 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC)[NH+](C)C ZINC000935944864 781847739 /nfs/dbraw/zinc/84/77/39/781847739.db2.gz BCVHWKXGHYUEJQ-NSHDSACASA-N 1 2 285.384 1.834 20 10 CDCDLO OCCC[NH+]1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139681787 936635161 /nfs/dbraw/zinc/63/51/61/936635161.db2.gz XVOODABYPZBAIL-UHFFFAOYSA-N 1 2 286.322 1.170 20 10 CDCDLO C[NH+](C)CCN1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139685764 936635956 /nfs/dbraw/zinc/63/59/56/936635956.db2.gz WFYNMDZFEVDZJA-UHFFFAOYSA-N 1 2 299.365 1.350 20 10 CDCDLO COCCN1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140462659 936712545 /nfs/dbraw/zinc/71/25/45/936712545.db2.gz KQFJUMVZOXCFSC-UHFFFAOYSA-N 1 2 284.787 1.810 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCO1 ZINC001140659981 936736099 /nfs/dbraw/zinc/73/60/99/936736099.db2.gz BFDNCCIEWLZGDY-CYBMUJFWSA-N 1 2 294.370 1.883 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CCO1 ZINC001140659981 936736101 /nfs/dbraw/zinc/73/61/01/936736101.db2.gz BFDNCCIEWLZGDY-CYBMUJFWSA-N 1 2 294.370 1.883 20 10 CDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703489701 922707070 /nfs/dbraw/zinc/70/70/70/922707070.db2.gz HJSLVALTMNVKJB-JTQLQIEISA-N 1 2 270.279 1.381 20 10 CDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703489701 922707086 /nfs/dbraw/zinc/70/70/86/922707086.db2.gz HJSLVALTMNVKJB-JTQLQIEISA-N 1 2 270.279 1.381 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142502726 937023139 /nfs/dbraw/zinc/02/31/39/937023139.db2.gz VRGFFXDIWXBTTA-JTQLQIEISA-N 1 2 256.252 1.120 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142502726 937023141 /nfs/dbraw/zinc/02/31/41/937023141.db2.gz VRGFFXDIWXBTTA-JTQLQIEISA-N 1 2 256.252 1.120 20 10 CDCDLO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)S(C)(=O)=O ZINC000776252110 926485666 /nfs/dbraw/zinc/48/56/66/926485666.db2.gz HSFJUONSEOVDNB-ZETCQYMHSA-N 1 2 295.763 1.707 20 10 CDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843434096 937149440 /nfs/dbraw/zinc/14/94/40/937149440.db2.gz HPJNXJDGEWEWJP-MNOVXSKESA-N 1 2 299.754 1.401 20 10 CDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843434096 937149443 /nfs/dbraw/zinc/14/94/43/937149443.db2.gz HPJNXJDGEWEWJP-MNOVXSKESA-N 1 2 299.754 1.401 20 10 CDCDLO O=C(NCc1c[nH+]cn1C1CCC1)c1cccc(O)c1O ZINC001148224096 932672370 /nfs/dbraw/zinc/67/23/70/932672370.db2.gz BUWDVVHGFGHJSL-UHFFFAOYSA-N 1 2 287.319 1.949 20 10 CDCDLO CN(C)c1ccc(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC001119613550 937739472 /nfs/dbraw/zinc/73/94/72/937739472.db2.gz JSSRCFWPRNNUAU-AWEZNQCLSA-N 1 2 288.351 1.261 20 10 CDCDLO CCOc1cccc(C[NH2+]Cc2nc(N(C)C)no2)c1O ZINC000191899929 934588577 /nfs/dbraw/zinc/58/85/77/934588577.db2.gz MGDXLGAOFBIVIV-UHFFFAOYSA-N 1 2 292.339 1.530 20 10 CDCDLO [NH3+][C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001205109737 939822672 /nfs/dbraw/zinc/82/26/72/939822672.db2.gz KUDGZOUYADXPRB-JTQLQIEISA-N 1 2 256.296 1.984 20 10 CDCDLO [NH3+][C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001205109737 939822674 /nfs/dbraw/zinc/82/26/74/939822674.db2.gz KUDGZOUYADXPRB-JTQLQIEISA-N 1 2 256.296 1.984 20 10 CDCDLO [NH3+][C@H]1CCCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001205109737 939822677 /nfs/dbraw/zinc/82/26/77/939822677.db2.gz KUDGZOUYADXPRB-JTQLQIEISA-N 1 2 256.296 1.984 20 10 CDCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001231909345 943050715 /nfs/dbraw/zinc/05/07/15/943050715.db2.gz JZPZCKMVWZOGCV-MNOVXSKESA-N 1 2 259.708 1.950 20 10 CDCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001231909345 943050722 /nfs/dbraw/zinc/05/07/22/943050722.db2.gz JZPZCKMVWZOGCV-MNOVXSKESA-N 1 2 259.708 1.950 20 10 CDCDLO Oc1ccc(F)c(F)c1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC001233331892 943546301 /nfs/dbraw/zinc/54/63/01/943546301.db2.gz OYNQTNYFIGOFDV-NSHDSACASA-N 1 2 298.333 1.577 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(N)=O)c(Cl)c1 ZINC001236800004 944574066 /nfs/dbraw/zinc/57/40/66/944574066.db2.gz SGQDTLFGKOJUJZ-LBPRGKRZSA-N 1 2 298.770 1.894 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCCC[C@H]2C(N)=O)c(Cl)c1 ZINC001236800004 944574068 /nfs/dbraw/zinc/57/40/68/944574068.db2.gz SGQDTLFGKOJUJZ-LBPRGKRZSA-N 1 2 298.770 1.894 20 10 CDCDLO Cc1cc(F)cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC001238056249 945040561 /nfs/dbraw/zinc/04/05/61/945040561.db2.gz GBPRLCCZRRAUGZ-OAHLLOKOSA-N 1 2 294.370 1.746 20 10 CDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N)cc1 ZINC001336360718 960320654 /nfs/dbraw/zinc/32/06/54/960320654.db2.gz JUIMQQLPFORQQN-LLVKDONJSA-N 1 2 273.340 1.353 20 10 CDCDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC(=O)N1 ZINC000295137443 199365700 /nfs/dbraw/zinc/36/57/00/199365700.db2.gz ZHJTYKLIRGQJHU-QMMMGPOBSA-N 1 2 254.717 1.366 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC(=O)N1 ZINC000295137443 199365702 /nfs/dbraw/zinc/36/57/02/199365702.db2.gz ZHJTYKLIRGQJHU-QMMMGPOBSA-N 1 2 254.717 1.366 20 10 CDCDLO CCCOc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC000294943998 199263430 /nfs/dbraw/zinc/26/34/30/199263430.db2.gz HDHYQNFUNBNJHE-NSHDSACASA-N 1 2 278.352 1.501 20 10 CDCDLO CCCOc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC000294943998 199263431 /nfs/dbraw/zinc/26/34/31/199263431.db2.gz HDHYQNFUNBNJHE-NSHDSACASA-N 1 2 278.352 1.501 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(F)c(F)c1O ZINC000296510569 296162620 /nfs/dbraw/zinc/16/26/20/296162620.db2.gz PMFGIVJRCMBEMA-XCBNKYQSSA-N 1 2 270.279 1.600 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3ccnn3C)CC2)cc1 ZINC000179530696 391209644 /nfs/dbraw/zinc/20/96/44/391209644.db2.gz GIMLTLDNYRQPLF-UHFFFAOYSA-N 1 2 286.379 1.751 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000271721186 391301568 /nfs/dbraw/zinc/30/15/68/391301568.db2.gz KASVMIIQCKZIPF-SNVBAGLBSA-N 1 2 257.717 1.239 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000271721186 391301572 /nfs/dbraw/zinc/30/15/72/391301572.db2.gz KASVMIIQCKZIPF-SNVBAGLBSA-N 1 2 257.717 1.239 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCOC[C@]23CCOC3)c1O ZINC000195017324 391373951 /nfs/dbraw/zinc/37/39/51/391373951.db2.gz PRMYHMQKLKQKCE-MRXNPFEDSA-N 1 2 293.363 1.782 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCOC[C@]23CCOC3)c1O ZINC000195017324 391373955 /nfs/dbraw/zinc/37/39/55/391373955.db2.gz PRMYHMQKLKQKCE-MRXNPFEDSA-N 1 2 293.363 1.782 20 10 CDCDLO C[C@@H]([NH2+]C1CCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589957693 1173210953 /nfs/dbraw/zinc/21/09/53/1173210953.db2.gz SDZZGKZCVAAVTH-MRVPVSSYSA-N 1 2 259.313 1.775 20 10 CDCDLO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000857068571 782044013 /nfs/dbraw/zinc/04/40/13/782044013.db2.gz AQOWEUSWDHLNGL-LLVKDONJSA-N 1 2 268.744 1.756 20 10 CDCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000378502601 329053347 /nfs/dbraw/zinc/05/33/47/329053347.db2.gz VZBNPPZJURLZEW-STQMWFEESA-N 1 2 297.326 1.684 20 10 CDCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(F)ccc1O ZINC000378502601 329053348 /nfs/dbraw/zinc/05/33/48/329053348.db2.gz VZBNPPZJURLZEW-STQMWFEESA-N 1 2 297.326 1.684 20 10 CDCDLO CCOC(=O)[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000049369208 521022814 /nfs/dbraw/zinc/02/28/14/521022814.db2.gz BZRZXTWKICUQEO-SECBINFHSA-N 1 2 253.298 1.442 20 10 CDCDLO COC(=O)[C@@H]([NH2+]Cc1cccc(OC)c1O)C1CC1 ZINC000276547292 523635460 /nfs/dbraw/zinc/63/54/60/523635460.db2.gz YQBRJGOORSKSCF-LBPRGKRZSA-N 1 2 265.309 1.442 20 10 CDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1=CC(=O)CS1 ZINC000732268760 575085197 /nfs/dbraw/zinc/08/51/97/575085197.db2.gz BIMSGTOXOIPJEE-QMMMGPOBSA-N 1 2 251.311 1.469 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000773810397 575839469 /nfs/dbraw/zinc/83/94/69/575839469.db2.gz CBLBQYIGADFYMF-AWEZNQCLSA-N 1 2 293.436 1.545 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000773810397 575839470 /nfs/dbraw/zinc/83/94/70/575839470.db2.gz CBLBQYIGADFYMF-AWEZNQCLSA-N 1 2 293.436 1.545 20 10 CDCDLO C[N@H+](Cc1cscn1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768442856 576283696 /nfs/dbraw/zinc/28/36/96/576283696.db2.gz OLYRYEIZIHDGBX-ZDUSSCGKSA-N 1 2 292.360 1.907 20 10 CDCDLO C[N@@H+](Cc1cscn1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768442856 576283697 /nfs/dbraw/zinc/28/36/97/576283697.db2.gz OLYRYEIZIHDGBX-ZDUSSCGKSA-N 1 2 292.360 1.907 20 10 CDCDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1=CC(=O)CS1 ZINC000753842647 576861869 /nfs/dbraw/zinc/86/18/69/576861869.db2.gz PIZPWHSCBFHFBT-SNVBAGLBSA-N 1 2 289.360 1.857 20 10 CDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H](CO)CC(F)F)c1 ZINC000758616261 577122244 /nfs/dbraw/zinc/12/22/44/577122244.db2.gz RCOXGQQRJLMWFH-MRVPVSSYSA-N 1 2 276.239 1.406 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c1O ZINC000894535972 618946826 /nfs/dbraw/zinc/94/68/26/618946826.db2.gz ZUGIZOZLEYGLGM-NSHDSACASA-N 1 2 278.352 1.372 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1O ZINC000894535972 618946828 /nfs/dbraw/zinc/94/68/28/618946828.db2.gz ZUGIZOZLEYGLGM-NSHDSACASA-N 1 2 278.352 1.372 20 10 CDCDLO Cn1c[nH+]cc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000901435903 624247578 /nfs/dbraw/zinc/24/75/78/624247578.db2.gz JOBJGCFBYDCKSL-XFFZJAGNSA-N 1 2 276.365 1.876 20 10 CDCDLO C[N@H+](CCC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000809713716 1163076852 /nfs/dbraw/zinc/07/68/52/1163076852.db2.gz KAZZTBYAYXDTBL-UHFFFAOYSA-N 1 2 260.696 1.492 20 10 CDCDLO C[N@@H+](CCC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000809713716 1163076859 /nfs/dbraw/zinc/07/68/59/1163076859.db2.gz KAZZTBYAYXDTBL-UHFFFAOYSA-N 1 2 260.696 1.492 20 10 CDCDLO COCc1nc(C[NH2+][C@H](C)c2ccccc2O)no1 ZINC000879649494 1166392546 /nfs/dbraw/zinc/39/25/46/1166392546.db2.gz UYWLTBLSVMVHDF-SECBINFHSA-N 1 2 263.297 1.772 20 10 CDCDLO CCN1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000391532714 936658992 /nfs/dbraw/zinc/65/89/92/936658992.db2.gz KOCPKWYDNXAECX-JTQLQIEISA-N 1 2 268.744 1.756 20 10 CDCDLO CCC(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140057774 936675170 /nfs/dbraw/zinc/67/51/70/936675170.db2.gz LSVVTRLFVXXOPF-UHFFFAOYSA-N 1 2 266.316 1.586 20 10 CDCDLO CN(Cc1c(O)cc(F)cc1F)[C@H]1CC[N@H+](C)C1 ZINC001140583909 936727746 /nfs/dbraw/zinc/72/77/46/936727746.db2.gz YHESDAZOXMGVOI-JTQLQIEISA-N 1 2 256.296 1.806 20 10 CDCDLO CN(Cc1c(O)cc(F)cc1F)[C@H]1CC[N@@H+](C)C1 ZINC001140583909 936727747 /nfs/dbraw/zinc/72/77/47/936727747.db2.gz YHESDAZOXMGVOI-JTQLQIEISA-N 1 2 256.296 1.806 20 10 CDCDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137838690 923041277 /nfs/dbraw/zinc/04/12/77/923041277.db2.gz HPPVDNNZCNZBIZ-SNVBAGLBSA-N 1 2 287.356 1.540 20 10 CDCDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137838690 923041293 /nfs/dbraw/zinc/04/12/93/923041293.db2.gz HPPVDNNZCNZBIZ-SNVBAGLBSA-N 1 2 287.356 1.540 20 10 CDCDLO C[C@H](CN1CCCC1=O)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708536026 923204823 /nfs/dbraw/zinc/20/48/23/923204823.db2.gz UCIYNYLPXQQHFQ-SECBINFHSA-N 1 2 284.306 1.771 20 10 CDCDLO Cc1cccc(C[N@H+](C)Cc2nnc3n2CCC3)c1O ZINC000775645572 924497263 /nfs/dbraw/zinc/49/72/63/924497263.db2.gz OLMILIVZLOKPLX-UHFFFAOYSA-N 1 2 272.352 1.870 20 10 CDCDLO Cc1cccc(C[N@@H+](C)Cc2nnc3n2CCC3)c1O ZINC000775645572 924497267 /nfs/dbraw/zinc/49/72/67/924497267.db2.gz OLMILIVZLOKPLX-UHFFFAOYSA-N 1 2 272.352 1.870 20 10 CDCDLO C[NH2+]C[C@@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000853249559 927992366 /nfs/dbraw/zinc/99/23/66/927992366.db2.gz REVFGRPCOIEMKK-SSDOTTSWSA-N 1 2 273.720 1.651 20 10 CDCDLO C[C@@H]([NH2+]C[C@H]1COCCN1)c1cc(F)cc(F)c1O ZINC000863544675 929568183 /nfs/dbraw/zinc/56/81/83/929568183.db2.gz BEENQJCWRIRBDK-SCZZXKLOSA-N 1 2 272.295 1.309 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1ccc(Br)cc1O ZINC000824567719 931461988 /nfs/dbraw/zinc/46/19/88/931461988.db2.gz UVQIIKSSTSKPTO-UHFFFAOYSA-N 1 2 288.141 1.760 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824567719 931461991 /nfs/dbraw/zinc/46/19/91/931461991.db2.gz UVQIIKSSTSKPTO-UHFFFAOYSA-N 1 2 288.141 1.760 20 10 CDCDLO O=C(NCCCCn1cc[nH+]c1)c1c(F)ccc(O)c1O ZINC000825517089 931507385 /nfs/dbraw/zinc/50/73/85/931507385.db2.gz MDDQVIBCCQMCRD-UHFFFAOYSA-N 1 2 293.298 1.644 20 10 CDCDLO CC(=O)NC1C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327555 939756174 /nfs/dbraw/zinc/75/61/74/939756174.db2.gz YOMHEJBESYIZEP-UHFFFAOYSA-N 1 2 273.380 1.607 20 10 CDCDLO C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001205830250 939942625 /nfs/dbraw/zinc/94/26/25/939942625.db2.gz SJNBNGAZTQJKDN-MFKMUULPSA-N 1 2 278.352 1.650 20 10 CDCDLO C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001205830250 939942627 /nfs/dbraw/zinc/94/26/27/939942627.db2.gz SJNBNGAZTQJKDN-MFKMUULPSA-N 1 2 278.352 1.650 20 10 CDCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cnccn1)CCC2 ZINC001209788483 940643595 /nfs/dbraw/zinc/64/35/95/940643595.db2.gz OSLSOPCRQUMFQS-UHFFFAOYSA-N 1 2 271.320 1.836 20 10 CDCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cnccn1)CCC2 ZINC001209788483 940643598 /nfs/dbraw/zinc/64/35/98/940643598.db2.gz OSLSOPCRQUMFQS-UHFFFAOYSA-N 1 2 271.320 1.836 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(N)=O)c(Cl)c1 ZINC001277550647 942976091 /nfs/dbraw/zinc/97/60/91/942976091.db2.gz DIUDWKVJQSPFRR-ABAIWWIYSA-N 1 2 293.798 1.856 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(N)=O)c(Cl)c1 ZINC001277550647 942976099 /nfs/dbraw/zinc/97/60/99/942976099.db2.gz DIUDWKVJQSPFRR-ABAIWWIYSA-N 1 2 293.798 1.856 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001231855608 943031370 /nfs/dbraw/zinc/03/13/70/943031370.db2.gz WYNSPLNNGIGADM-GJZGRUSLSA-N 1 2 275.396 1.650 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001231855608 943031376 /nfs/dbraw/zinc/03/13/76/943031376.db2.gz WYNSPLNNGIGADM-GJZGRUSLSA-N 1 2 275.396 1.650 20 10 CDCDLO Oc1c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)ccc(F)c1F ZINC001233074862 943485592 /nfs/dbraw/zinc/48/55/92/943485592.db2.gz YRIZLERXDLJHQX-WCBMZHEXSA-N 1 2 261.243 1.575 20 10 CDCDLO Oc1c(C[N@H+]2CC[C@H](F)[C@H](O)C2)ccc(F)c1F ZINC001233074862 943485593 /nfs/dbraw/zinc/48/55/93/943485593.db2.gz YRIZLERXDLJHQX-WCBMZHEXSA-N 1 2 261.243 1.575 20 10 CDCDLO CC[N@H+](CCC(N)=O)Cc1ccc(OC)c(Cl)c1O ZINC001236813398 944578612 /nfs/dbraw/zinc/57/86/12/944578612.db2.gz LLOHQRUGGLWJGI-UHFFFAOYSA-N 1 2 286.759 1.752 20 10 CDCDLO CC[N@@H+](CCC(N)=O)Cc1ccc(OC)c(Cl)c1O ZINC001236813398 944578614 /nfs/dbraw/zinc/57/86/14/944578614.db2.gz LLOHQRUGGLWJGI-UHFFFAOYSA-N 1 2 286.759 1.752 20 10 CDCDLO COC(=O)N1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238057799 945045809 /nfs/dbraw/zinc/04/58/09/945045809.db2.gz NPLQCPPHCRBMTA-UHFFFAOYSA-N 1 2 282.315 1.724 20 10 CDCDLO COCCn1ccc(-c2c[nH+]c(N)c(C)c2)cc1=O ZINC001245540500 947735804 /nfs/dbraw/zinc/73/58/04/947735804.db2.gz UUJNWDQCRJNNNM-UHFFFAOYSA-N 1 2 259.309 1.447 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001308523645 956538465 /nfs/dbraw/zinc/53/84/65/956538465.db2.gz QPFODTYAVYYPTF-UIKWRGBMSA-N 1 2 275.707 1.159 20 10 CDCDLO Cc1cccc(N(CCC(N)=O)C(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492809034 366182065 /nfs/dbraw/zinc/18/20/65/366182065.db2.gz FGYHJFKOMWJMMU-WAYWQWQTSA-N 1 2 298.346 1.640 20 10 CDCDLO COC(=O)C[N@H+](Cc1cc(F)ccc1O)C(C)C ZINC000179939457 357232245 /nfs/dbraw/zinc/23/22/45/357232245.db2.gz XFDCCBUIBDOBSM-UHFFFAOYSA-N 1 2 255.289 1.915 20 10 CDCDLO COC(=O)C[N@@H+](Cc1cc(F)ccc1O)C(C)C ZINC000179939457 357232249 /nfs/dbraw/zinc/23/22/49/357232249.db2.gz XFDCCBUIBDOBSM-UHFFFAOYSA-N 1 2 255.289 1.915 20 10 CDCDLO COCC1(O)C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000297570736 200230366 /nfs/dbraw/zinc/23/03/66/200230366.db2.gz REFGXDOMHBZIGZ-UHFFFAOYSA-N 1 2 257.717 1.239 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1 ZINC000271832604 365000892 /nfs/dbraw/zinc/00/08/92/365000892.db2.gz PEACBPYFQVZLNT-FDMGOTLNSA-N 1 2 283.393 1.742 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1 ZINC000271832604 365000899 /nfs/dbraw/zinc/00/08/99/365000899.db2.gz PEACBPYFQVZLNT-FDMGOTLNSA-N 1 2 283.393 1.742 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3cncn3C)CC2)cc1 ZINC000176982523 391161069 /nfs/dbraw/zinc/16/10/69/391161069.db2.gz HGICWQXTWNIJSK-UHFFFAOYSA-N 1 2 286.379 1.751 20 10 CDCDLO COc1ccc(N2CCN(Cc3c[nH+]cn3C)CC2)cc1 ZINC000176982523 391161072 /nfs/dbraw/zinc/16/10/72/391161072.db2.gz HGICWQXTWNIJSK-UHFFFAOYSA-N 1 2 286.379 1.751 20 10 CDCDLO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377701307 329025803 /nfs/dbraw/zinc/02/58/03/329025803.db2.gz SOLJMDGYRJZDOK-ZFWWWQNUSA-N 1 2 281.327 1.911 20 10 CDCDLO Oc1ccc(F)cc1C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377701307 329025804 /nfs/dbraw/zinc/02/58/04/329025804.db2.gz SOLJMDGYRJZDOK-ZFWWWQNUSA-N 1 2 281.327 1.911 20 10 CDCDLO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000275794328 521155356 /nfs/dbraw/zinc/15/53/56/521155356.db2.gz JICUROWZUGQJLQ-SNVBAGLBSA-N 1 2 276.340 1.770 20 10 CDCDLO CN(C)c1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000290767469 522194182 /nfs/dbraw/zinc/19/41/82/522194182.db2.gz KYZBSAYYPMSMTL-UHFFFAOYSA-N 1 2 299.378 1.675 20 10 CDCDLO COC(=O)[C@H]([NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000276408563 523926799 /nfs/dbraw/zinc/92/67/99/523926799.db2.gz FCCOFYAVJXQRDN-GFCCVEGCSA-N 1 2 253.273 1.573 20 10 CDCDLO COCCN(C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756525378 576993702 /nfs/dbraw/zinc/99/37/02/576993702.db2.gz BKHISYNJAJGLFY-SNVBAGLBSA-N 1 2 288.338 1.899 20 10 CDCDLO OC[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H]1CCCOC1 ZINC000840964642 617852206 /nfs/dbraw/zinc/85/22/06/617852206.db2.gz ZLOMOSVIHLIYSI-YPMHNXCESA-N 1 2 285.771 1.923 20 10 CDCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@H](CF)C1 ZINC000840954858 617761907 /nfs/dbraw/zinc/76/19/07/617761907.db2.gz MMDKSLMERRPNER-SNVBAGLBSA-N 1 2 255.289 1.571 20 10 CDCDLO COc1cccc(O)c1C[N@H+]1CCO[C@H](CF)C1 ZINC000840954858 617761910 /nfs/dbraw/zinc/76/19/10/617761910.db2.gz MMDKSLMERRPNER-SNVBAGLBSA-N 1 2 255.289 1.571 20 10 CDCDLO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C2)c1[O-] ZINC000841045527 621588662 /nfs/dbraw/zinc/58/86/62/621588662.db2.gz XRVSLLSDQZPREZ-SECBINFHSA-N 1 2 271.704 1.405 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)NCCCn2cc[nH+]c2)c1 ZINC000864396308 1164536822 /nfs/dbraw/zinc/53/68/22/1164536822.db2.gz IGDRUJCCIFEVJI-UHFFFAOYSA-N 1 2 288.351 1.787 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H](C)CCO)c1cccc(-c2nn[nH]n2)c1O ZINC001603495182 1175559091 /nfs/dbraw/zinc/55/90/91/1175559091.db2.gz IJKJFOQDLSQTMI-VHSXEESVSA-N 1 2 291.355 1.241 20 10 CDCDLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1O ZINC000827946815 784310630 /nfs/dbraw/zinc/31/06/30/784310630.db2.gz SJSMPAYVJRPWQM-SNVBAGLBSA-N 1 2 259.309 1.925 20 10 CDCDLO CCN(CC)C(=O)C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000708434897 785808205 /nfs/dbraw/zinc/80/82/05/785808205.db2.gz WNEJBEUKYUGVQH-UHFFFAOYSA-N 1 2 286.322 1.971 20 10 CDCDLO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000708434897 785808207 /nfs/dbraw/zinc/80/82/07/785808207.db2.gz WNEJBEUKYUGVQH-UHFFFAOYSA-N 1 2 286.322 1.971 20 10 CDCDLO CCOC(=O)c1noc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000879649295 786873473 /nfs/dbraw/zinc/87/34/73/786873473.db2.gz MWBZCGLAYMYDCW-SECBINFHSA-N 1 2 291.307 1.803 20 10 CDCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(O)c(O)c1 ZINC000847590571 787071877 /nfs/dbraw/zinc/07/18/77/787071877.db2.gz ATKZOTCFVQBOJP-VIFPVBQESA-N 1 2 275.308 1.316 20 10 CDCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(O)c(O)c1 ZINC000847590571 787071882 /nfs/dbraw/zinc/07/18/82/787071882.db2.gz ATKZOTCFVQBOJP-VIFPVBQESA-N 1 2 275.308 1.316 20 10 CDCDLO CCOCC[N@H+](CC(=O)OCC)Cc1ccccc1O ZINC000823576471 787361837 /nfs/dbraw/zinc/36/18/37/787361837.db2.gz PCUBLVVHGLENKG-UHFFFAOYSA-N 1 2 281.352 1.794 20 10 CDCDLO CCOCC[N@@H+](CC(=O)OCC)Cc1ccccc1O ZINC000823576471 787361852 /nfs/dbraw/zinc/36/18/52/787361852.db2.gz PCUBLVVHGLENKG-UHFFFAOYSA-N 1 2 281.352 1.794 20 10 CDCDLO CCCC[N@H+](CC(N)=O)Cc1cc(F)cc(F)c1O ZINC000708411543 787984367 /nfs/dbraw/zinc/98/43/67/787984367.db2.gz AXVIHXMYRCDJGE-UHFFFAOYSA-N 1 2 272.295 1.758 20 10 CDCDLO CCCC[N@@H+](CC(N)=O)Cc1cc(F)cc(F)c1O ZINC000708411543 787984404 /nfs/dbraw/zinc/98/44/04/787984404.db2.gz AXVIHXMYRCDJGE-UHFFFAOYSA-N 1 2 272.295 1.758 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2C[C@H](CO)OC[C@H]2C)cc1Cl ZINC000824934035 788287902 /nfs/dbraw/zinc/28/79/02/788287902.db2.gz OEVYFTBVTHBKEW-ZYHUDNBSSA-N 1 2 285.771 1.936 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2C[C@H](CO)OC[C@H]2C)cc1Cl ZINC000824934035 788287920 /nfs/dbraw/zinc/28/79/20/788287920.db2.gz OEVYFTBVTHBKEW-ZYHUDNBSSA-N 1 2 285.771 1.936 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000783730650 789070936 /nfs/dbraw/zinc/07/09/36/789070936.db2.gz UEQSNPGVBPRCAT-NSHDSACASA-N 1 2 278.352 1.453 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000783730650 789070951 /nfs/dbraw/zinc/07/09/51/789070951.db2.gz UEQSNPGVBPRCAT-NSHDSACASA-N 1 2 278.352 1.453 20 10 CDCDLO CCOC(=O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400237 789838180 /nfs/dbraw/zinc/83/81/80/789838180.db2.gz XTAQNZDAWFMQST-UHFFFAOYSA-N 1 2 280.368 1.626 20 10 CDCDLO CCOC(=O)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400237 789838184 /nfs/dbraw/zinc/83/81/84/789838184.db2.gz XTAQNZDAWFMQST-UHFFFAOYSA-N 1 2 280.368 1.626 20 10 CDCDLO C[S@@](=O)CCC[NH2+]Cc1cccc(Cl)c1O ZINC000162664741 898594074 /nfs/dbraw/zinc/59/40/74/898594074.db2.gz XTFBZENVRMTYHW-INIZCTEOSA-N 1 2 261.774 1.904 20 10 CDCDLO C[NH+](C)C1(C)CN(Cc2c(F)ccc(F)c2O)C1 ZINC001139685257 936636000 /nfs/dbraw/zinc/63/60/00/936636000.db2.gz CNTGWEFJUQXECL-UHFFFAOYSA-N 1 2 256.296 1.806 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCN1C ZINC001140342178 936703329 /nfs/dbraw/zinc/70/33/29/936703329.db2.gz VZHXQQZVESWVBR-GFCCVEGCSA-N 1 2 298.770 1.335 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCN1C ZINC001140342178 936703331 /nfs/dbraw/zinc/70/33/31/936703331.db2.gz VZHXQQZVESWVBR-GFCCVEGCSA-N 1 2 298.770 1.335 20 10 CDCDLO CC(=O)OC1C[NH+](Cc2ccc(O)c(C)c2O)C1 ZINC001140746027 936749040 /nfs/dbraw/zinc/74/90/40/936749040.db2.gz SSGBEBRKNUAXLR-UHFFFAOYSA-N 1 2 251.282 1.154 20 10 CDCDLO Cn1ncc2c1C[N@H+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141144206 936819732 /nfs/dbraw/zinc/81/97/32/936819732.db2.gz DXDRKPZEKGDZSU-UHFFFAOYSA-N 1 2 298.390 1.807 20 10 CDCDLO Cn1ncc2c1C[N@@H+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141144206 936819734 /nfs/dbraw/zinc/81/97/34/936819734.db2.gz DXDRKPZEKGDZSU-UHFFFAOYSA-N 1 2 298.390 1.807 20 10 CDCDLO C[N@@H+]1CCC12CN(Cc1cc(F)c(F)cc1O)C2 ZINC001275775186 932018687 /nfs/dbraw/zinc/01/86/87/932018687.db2.gz XEMBHKUASMHVSW-UHFFFAOYSA-N 1 2 254.280 1.560 20 10 CDCDLO C[N@H+]1CCC12CN(Cc1cc(F)c(F)cc1O)C2 ZINC001275775186 932018695 /nfs/dbraw/zinc/01/86/95/932018695.db2.gz XEMBHKUASMHVSW-UHFFFAOYSA-N 1 2 254.280 1.560 20 10 CDCDLO OC[C@@]1(F)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000802660920 936056487 /nfs/dbraw/zinc/05/64/87/936056487.db2.gz ZKBSNDJOSBDUJE-GFCCVEGCSA-N 1 2 259.708 1.952 20 10 CDCDLO OC[C@@]1(F)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000802660920 936056492 /nfs/dbraw/zinc/05/64/92/936056492.db2.gz ZKBSNDJOSBDUJE-GFCCVEGCSA-N 1 2 259.708 1.952 20 10 CDCDLO [NH3+][C@@H]1CN(Cc2cc(F)c(F)cc2O)CCC1(F)F ZINC001206673917 938769401 /nfs/dbraw/zinc/76/94/01/938769401.db2.gz AIQBTPOEXMCYFA-LLVKDONJSA-N 1 2 278.249 1.839 20 10 CDCDLO Nc1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC001162783828 939137932 /nfs/dbraw/zinc/13/79/32/939137932.db2.gz AQRIJPCIPZQGEV-UHFFFAOYSA-N 1 2 285.351 1.508 20 10 CDCDLO Nc1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC001162783828 939137933 /nfs/dbraw/zinc/13/79/33/939137933.db2.gz AQRIJPCIPZQGEV-UHFFFAOYSA-N 1 2 285.351 1.508 20 10 CDCDLO Cc1ccc(C[N@@H+]2CCc3c([nH]nc3C(N)=O)C2)c(O)c1 ZINC001277569081 943019755 /nfs/dbraw/zinc/01/97/55/943019755.db2.gz VBDOAZNQRXQTJF-UHFFFAOYSA-N 1 2 286.335 1.081 20 10 CDCDLO Cc1ccc(C[N@H+]2CCc3c([nH]nc3C(N)=O)C2)c(O)c1 ZINC001277569081 943019758 /nfs/dbraw/zinc/01/97/58/943019758.db2.gz VBDOAZNQRXQTJF-UHFFFAOYSA-N 1 2 286.335 1.081 20 10 CDCDLO COc1cc(N(C)C)ccc1C[NH+]1CCOCC1 ZINC001231849569 943028368 /nfs/dbraw/zinc/02/83/68/943028368.db2.gz WCLCTXVMPFLDRY-UHFFFAOYSA-N 1 2 250.342 1.593 20 10 CDCDLO Oc1c(Cl)cccc1C[N@H+]1CCc2nncn2CC1 ZINC001231910602 943051613 /nfs/dbraw/zinc/05/16/13/943051613.db2.gz OPQKXUZLPOTFAB-UHFFFAOYSA-N 1 2 278.743 1.695 20 10 CDCDLO Oc1c(Cl)cccc1C[N@@H+]1CCc2nncn2CC1 ZINC001231910602 943051622 /nfs/dbraw/zinc/05/16/22/943051622.db2.gz OPQKXUZLPOTFAB-UHFFFAOYSA-N 1 2 278.743 1.695 20 10 CDCDLO C[C@]1(O)COCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233077029 943487013 /nfs/dbraw/zinc/48/70/13/943487013.db2.gz ZFHUWYZNSBYNKE-CYBMUJFWSA-N 1 2 273.279 1.254 20 10 CDCDLO C[C@]1(O)COCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233077029 943487017 /nfs/dbraw/zinc/48/70/17/943487017.db2.gz ZFHUWYZNSBYNKE-CYBMUJFWSA-N 1 2 273.279 1.254 20 10 CDCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(C2COC2)CC1 ZINC001233331959 943546296 /nfs/dbraw/zinc/54/62/96/943546296.db2.gz RUMLNAMNPJWJMA-UHFFFAOYSA-N 1 2 284.306 1.187 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2CCc3ncncc3C2)cc1O ZINC001233485730 943594210 /nfs/dbraw/zinc/59/42/10/943594210.db2.gz IWZQADQJNBQSBG-UHFFFAOYSA-N 1 2 273.292 1.152 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2CCc3ncncc3C2)cc1O ZINC001233485730 943594214 /nfs/dbraw/zinc/59/42/14/943594214.db2.gz IWZQADQJNBQSBG-UHFFFAOYSA-N 1 2 273.292 1.152 20 10 CDCDLO Cc1cccc(O)c1C[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001237493758 944817855 /nfs/dbraw/zinc/81/78/55/944817855.db2.gz DDYXRTFBZAIHIL-UHFFFAOYSA-N 1 2 297.358 1.944 20 10 CDCDLO Cc1cccc(O)c1C[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001237493758 944817859 /nfs/dbraw/zinc/81/78/59/944817859.db2.gz DDYXRTFBZAIHIL-UHFFFAOYSA-N 1 2 297.358 1.944 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001312831209 956821285 /nfs/dbraw/zinc/82/12/85/956821285.db2.gz KNILBVZUUVHKPC-UHFFFAOYSA-N 1 2 288.351 1.510 20 10 CDCDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(N)=O)CC2)cc1 ZINC001320233967 959022481 /nfs/dbraw/zinc/02/24/81/959022481.db2.gz XSDNRRUAGXMZDT-LBPRGKRZSA-N 1 2 277.368 1.081 20 10 CDCDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC001343472544 963998876 /nfs/dbraw/zinc/99/88/76/963998876.db2.gz IVRZQEFETMDZQN-CHWSQXEVSA-N 1 2 270.336 1.422 20 10 CDCDLO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276988428 293102090 /nfs/dbraw/zinc/10/20/90/293102090.db2.gz XCRDUVJADNAJFA-BDAKNGLRSA-N 1 2 275.295 1.718 20 10 CDCDLO CC(=O)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000160196860 362052273 /nfs/dbraw/zinc/05/22/73/362052273.db2.gz TVGJJTCEANGBBY-UHFFFAOYSA-N 1 2 252.289 1.195 20 10 CDCDLO CCNC(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179891731 357229132 /nfs/dbraw/zinc/22/91/32/357229132.db2.gz QZTBBOUHCZQPST-UHFFFAOYSA-N 1 2 281.331 1.378 20 10 CDCDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(Cl)c1O ZINC000179921084 357230681 /nfs/dbraw/zinc/23/06/81/357230681.db2.gz FECBECRXNVTVDG-MRVPVSSYSA-N 1 2 254.717 1.366 20 10 CDCDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000179921084 357230687 /nfs/dbraw/zinc/23/06/87/357230687.db2.gz FECBECRXNVTVDG-MRVPVSSYSA-N 1 2 254.717 1.366 20 10 CDCDLO C[C@@H](c1nnnn1C1CC1)[N@H+](C)Cc1ccccc1O ZINC000192102800 358175857 /nfs/dbraw/zinc/17/58/57/358175857.db2.gz JPMQCZQBKQCNEI-JTQLQIEISA-N 1 2 273.340 1.907 20 10 CDCDLO CC(C)S(=O)(=O)CC[N@H+](C)Cc1ccccc1O ZINC000178693965 366495784 /nfs/dbraw/zinc/49/57/84/366495784.db2.gz OGSGVSQOIUKXPD-UHFFFAOYSA-N 1 2 271.382 1.647 20 10 CDCDLO CC(C)S(=O)(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000178693965 366495786 /nfs/dbraw/zinc/49/57/86/366495786.db2.gz OGSGVSQOIUKXPD-UHFFFAOYSA-N 1 2 271.382 1.647 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C)c1O ZINC000123447177 360287589 /nfs/dbraw/zinc/28/75/89/360287589.db2.gz GUPLHTZOLDBIDM-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2C)c1O ZINC000123447177 360287591 /nfs/dbraw/zinc/28/75/91/360287591.db2.gz GUPLHTZOLDBIDM-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO COC(=O)C[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000272417561 365227925 /nfs/dbraw/zinc/22/79/25/365227925.db2.gz LLOZMGUCVBEVLA-UHFFFAOYSA-N 1 2 253.273 1.669 20 10 CDCDLO COC(=O)C[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000272417561 365227932 /nfs/dbraw/zinc/22/79/32/365227932.db2.gz LLOZMGUCVBEVLA-UHFFFAOYSA-N 1 2 253.273 1.669 20 10 CDCDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272525864 365277853 /nfs/dbraw/zinc/27/78/53/365277853.db2.gz YXPVRSWUNOYSMB-CYBMUJFWSA-N 1 2 271.263 1.618 20 10 CDCDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272525864 365277859 /nfs/dbraw/zinc/27/78/59/365277859.db2.gz YXPVRSWUNOYSMB-CYBMUJFWSA-N 1 2 271.263 1.618 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(F)c(F)c1O ZINC000187728452 296160927 /nfs/dbraw/zinc/16/09/27/296160927.db2.gz JUUZJQWGKCPLSG-BDAKNGLRSA-N 1 2 284.306 1.942 20 10 CDCDLO COC(=O)[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000493188675 253393236 /nfs/dbraw/zinc/39/32/36/253393236.db2.gz MFOSZULPTIELTC-YBJDMEARSA-N 1 2 297.314 1.726 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000093458165 390902968 /nfs/dbraw/zinc/90/29/68/390902968.db2.gz QQGCYVOTUSICNL-OAHLLOKOSA-N 1 2 292.379 1.517 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000093458165 390902970 /nfs/dbraw/zinc/90/29/70/390902970.db2.gz QQGCYVOTUSICNL-OAHLLOKOSA-N 1 2 292.379 1.517 20 10 CDCDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(F)cc1O ZINC000186214212 262084417 /nfs/dbraw/zinc/08/44/17/262084417.db2.gz CKMZANPEIGELHI-MRVPVSSYSA-N 1 2 250.277 1.511 20 10 CDCDLO O=C(c1cccc(O)c1O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370492452 267322635 /nfs/dbraw/zinc/32/26/35/267322635.db2.gz QUOLAZJPXSIDHM-UHFFFAOYSA-N 1 2 287.319 1.841 20 10 CDCDLO O=C(c1cccc(O)c1O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370492452 267322637 /nfs/dbraw/zinc/32/26/37/267322637.db2.gz QUOLAZJPXSIDHM-UHFFFAOYSA-N 1 2 287.319 1.841 20 10 CDCDLO Oc1cc2c(cc1C[NH2+]Cc1csnn1)OCO2 ZINC000398284488 1160098824 /nfs/dbraw/zinc/09/88/24/1160098824.db2.gz MSZUNHLYMSKZIY-UHFFFAOYSA-N 1 2 265.294 1.262 20 10 CDCDLO CCCOc1ccc(C[NH2+][C@@]2(C)CCOC2=O)c(O)c1 ZINC000289704090 520371948 /nfs/dbraw/zinc/37/19/48/520371948.db2.gz DZANKPZQUNTMNI-HNNXBMFYSA-N 1 2 279.336 1.976 20 10 CDCDLO CCn1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000264789829 523384526 /nfs/dbraw/zinc/38/45/26/523384526.db2.gz AINAIDDAUCPYOL-UHFFFAOYSA-N 1 2 276.296 1.807 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000280765077 523525315 /nfs/dbraw/zinc/52/53/15/523525315.db2.gz FSTBPZNUNWVXPW-MRVPVSSYSA-N 1 2 267.281 1.114 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000280765077 523525331 /nfs/dbraw/zinc/52/53/31/523525331.db2.gz FSTBPZNUNWVXPW-MRVPVSSYSA-N 1 2 267.281 1.114 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1F ZINC000769207384 576337520 /nfs/dbraw/zinc/33/75/20/576337520.db2.gz TVLIBJMPNRLPHT-CYBMUJFWSA-N 1 2 291.370 1.698 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1F ZINC000769207384 576337523 /nfs/dbraw/zinc/33/75/23/576337523.db2.gz TVLIBJMPNRLPHT-CYBMUJFWSA-N 1 2 291.370 1.698 20 10 CDCDLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000895328911 619567357 /nfs/dbraw/zinc/56/73/57/619567357.db2.gz HLPLKCCSVYVYDK-AMIZOPFISA-N 1 2 289.734 1.502 20 10 CDCDLO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000895328911 619567361 /nfs/dbraw/zinc/56/73/61/619567361.db2.gz HLPLKCCSVYVYDK-AMIZOPFISA-N 1 2 289.734 1.502 20 10 CDCDLO O=C1CCCN1C1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000897786712 621122252 /nfs/dbraw/zinc/12/22/52/621122252.db2.gz WQMBMBSJPNPVIM-UHFFFAOYSA-N 1 2 280.755 1.852 20 10 CDCDLO [NH3+][C@H]1CN(Cc2c(F)ccc(F)c2O)CC(F)(F)C1 ZINC001206124806 1164262056 /nfs/dbraw/zinc/26/20/56/1164262056.db2.gz OECPDEZHGCYTIQ-SSDOTTSWSA-N 1 2 278.249 1.839 20 10 CDCDLO CNS(=O)(=O)CCC[NH2+]Cc1cccc(Cl)c1O ZINC000877689796 1166078739 /nfs/dbraw/zinc/07/87/39/1166078739.db2.gz RNWILMGWFUTSCO-UHFFFAOYSA-N 1 2 292.788 1.075 20 10 CDCDLO CC[C@@H]([NH2+][C@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590467694 1173418751 /nfs/dbraw/zinc/41/87/51/1173418751.db2.gz SPZNRLRTMHBKIJ-JOYOIKCWSA-N 1 2 289.339 1.402 20 10 CDCDLO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001592331782 1173856932 /nfs/dbraw/zinc/85/69/32/1173856932.db2.gz VAAWFSUJPHUREG-VIFPVBQESA-N 1 2 299.338 1.455 20 10 CDCDLO C[C@H]([NH2+]CCN1CCNC1=O)c1cc(F)cc(F)c1O ZINC000886745070 790018014 /nfs/dbraw/zinc/01/80/14/790018014.db2.gz NKFKEHJXYCDIPZ-QMMMGPOBSA-N 1 2 285.294 1.346 20 10 CDCDLO OC[C@H]1CSCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000877780388 790035479 /nfs/dbraw/zinc/03/54/79/790035479.db2.gz OWWJUCKLDTWZTE-JTQLQIEISA-N 1 2 273.785 1.955 20 10 CDCDLO OC[C@H]1CSCC[N@H+]1Cc1cccc(Cl)c1O ZINC000877780388 790035486 /nfs/dbraw/zinc/03/54/86/790035486.db2.gz OWWJUCKLDTWZTE-JTQLQIEISA-N 1 2 273.785 1.955 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1O ZINC000825023635 790092488 /nfs/dbraw/zinc/09/24/88/790092488.db2.gz DYYWQYQGVJDZQJ-GHMZBOCLSA-N 1 2 275.707 1.376 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1O ZINC000825023635 790092494 /nfs/dbraw/zinc/09/24/94/790092494.db2.gz DYYWQYQGVJDZQJ-GHMZBOCLSA-N 1 2 275.707 1.376 20 10 CDCDLO O=C(NCCCn1cc[nH+]c1)c1c(F)ccc(O)c1O ZINC000789939013 791347929 /nfs/dbraw/zinc/34/79/29/791347929.db2.gz IIRDACGFAXQWPQ-UHFFFAOYSA-N 1 2 279.271 1.254 20 10 CDCDLO COc1ccc(O)c(CNC(=O)NCCn2cc[nH+]c2)c1 ZINC000114581184 792904463 /nfs/dbraw/zinc/90/44/63/792904463.db2.gz HLQTXDJRKOQRMH-UHFFFAOYSA-N 1 2 290.323 1.097 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H](C)[S@@]1=O ZINC000792193250 793721263 /nfs/dbraw/zinc/72/12/63/793721263.db2.gz UJLVRKREZNDLSM-YDNVHUBRSA-N 1 2 297.376 1.462 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H](C)[S@@]1=O ZINC000792193250 793721279 /nfs/dbraw/zinc/72/12/79/793721279.db2.gz UJLVRKREZNDLSM-YDNVHUBRSA-N 1 2 297.376 1.462 20 10 CDCDLO COc1ccc(O)c(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)c1 ZINC000792193632 793887053 /nfs/dbraw/zinc/88/70/53/793887053.db2.gz ZUYIHIPKZNRSIV-GHMZBOCLSA-N 1 2 283.393 1.742 20 10 CDCDLO CC(=O)NCC[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862399918 794964677 /nfs/dbraw/zinc/96/46/77/794964677.db2.gz HGFULFRORDIGTE-UHFFFAOYSA-N 1 2 285.338 1.599 20 10 CDCDLO CC(=O)NCC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862399918 794964681 /nfs/dbraw/zinc/96/46/81/794964681.db2.gz HGFULFRORDIGTE-UHFFFAOYSA-N 1 2 285.338 1.599 20 10 CDCDLO [NH3+]CC(F)(F)CNCc1cc(Cl)cc(F)c1O ZINC000841059619 795157943 /nfs/dbraw/zinc/15/79/43/795157943.db2.gz ILPAHRJWWVBSDZ-UHFFFAOYSA-N 1 2 268.666 1.868 20 10 CDCDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ncnn1C ZINC000883101704 795308982 /nfs/dbraw/zinc/30/89/82/795308982.db2.gz RKVCHXZUVHLXHO-SSDOTTSWSA-N 1 2 268.267 1.650 20 10 CDCDLO C[C@H]1C[NH+](Cc2cc(F)ccc2O)C[C@H](C)S1=O ZINC000792192727 795817545 /nfs/dbraw/zinc/81/75/45/795817545.db2.gz PODZMFQBZYLVLQ-UWVGGRQHSA-N 1 2 271.357 1.873 20 10 CDCDLO C[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCNC1=O ZINC000775745225 796386401 /nfs/dbraw/zinc/38/64/01/796386401.db2.gz RVTZPZMMAJFMGP-SNVBAGLBSA-N 1 2 254.717 1.366 20 10 CDCDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCNC1=O ZINC000775745225 796386405 /nfs/dbraw/zinc/38/64/05/796386405.db2.gz RVTZPZMMAJFMGP-SNVBAGLBSA-N 1 2 254.717 1.366 20 10 CDCDLO COc1cc[nH+]cc1N(CCO)c1ccc(N)cc1 ZINC001176121973 913967393 /nfs/dbraw/zinc/96/73/93/913967393.db2.gz WFMYAMWQUILHIS-UHFFFAOYSA-N 1 2 259.309 1.803 20 10 CDCDLO O=C1COC[C@H]2C[N@H+](Cc3c(O)cccc3Cl)CCN12 ZINC001140342033 936703621 /nfs/dbraw/zinc/70/36/21/936703621.db2.gz PDEVIDKIUCWCFJ-SNVBAGLBSA-N 1 2 296.754 1.089 20 10 CDCDLO O=C1COC[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCN12 ZINC001140342033 936703622 /nfs/dbraw/zinc/70/36/22/936703622.db2.gz PDEVIDKIUCWCFJ-SNVBAGLBSA-N 1 2 296.754 1.089 20 10 CDCDLO CN1CCOc2cc(C[NH+]3CC4(C3)CCCO4)ccc21 ZINC001141140107 936818446 /nfs/dbraw/zinc/81/84/46/936818446.db2.gz ILANOQJIHDABQV-UHFFFAOYSA-N 1 2 274.364 1.880 20 10 CDCDLO CN1CCO[C@H]2C[N@H+](Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142513135 937026037 /nfs/dbraw/zinc/02/60/37/937026037.db2.gz YXZUDJVZPKFQFI-OCCSQVGLSA-N 1 2 284.306 1.185 20 10 CDCDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142513135 937026038 /nfs/dbraw/zinc/02/60/38/937026038.db2.gz YXZUDJVZPKFQFI-OCCSQVGLSA-N 1 2 284.306 1.185 20 10 CDCDLO COc1cccc(CN2CCC(F)(F)[C@H]([NH3+])C2)c1O ZINC001206656960 937657210 /nfs/dbraw/zinc/65/72/10/937657210.db2.gz NQDVENZFIWPOFD-LLVKDONJSA-N 1 2 272.295 1.569 20 10 CDCDLO COc1ccc(C[N@@H+]2CCO[C@H](C(C)=O)C2)c(O)c1 ZINC001203635376 939698729 /nfs/dbraw/zinc/69/87/29/939698729.db2.gz RTEMAUFHBLJQQG-AWEZNQCLSA-N 1 2 265.309 1.191 20 10 CDCDLO COc1ccc(C[N@H+]2CCO[C@H](C(C)=O)C2)c(O)c1 ZINC001203635376 939698731 /nfs/dbraw/zinc/69/87/31/939698731.db2.gz RTEMAUFHBLJQQG-AWEZNQCLSA-N 1 2 265.309 1.191 20 10 CDCDLO O=S1CC2(C[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC001203650936 939699899 /nfs/dbraw/zinc/69/98/99/939699899.db2.gz GQFMYBQEMSGVPE-UHFFFAOYSA-N 1 2 271.769 1.610 20 10 CDCDLO CCN1C[C@@H](C)[N@H+](Cc2ccc(O)cc2O)CC1=O ZINC001204278256 939751388 /nfs/dbraw/zinc/75/13/88/939751388.db2.gz ZYOZJCQZHAZLCU-SNVBAGLBSA-N 1 2 264.325 1.150 20 10 CDCDLO CCN1C[C@@H](C)[N@@H+](Cc2ccc(O)cc2O)CC1=O ZINC001204278256 939751389 /nfs/dbraw/zinc/75/13/89/939751389.db2.gz ZYOZJCQZHAZLCU-SNVBAGLBSA-N 1 2 264.325 1.150 20 10 CDCDLO COc1cc(C[N@H+](C)C2(C)COC2)cc(O)c1O ZINC001204346020 939758593 /nfs/dbraw/zinc/75/85/93/939758593.db2.gz JNUCFBSWBUJKMO-UHFFFAOYSA-N 1 2 253.298 1.327 20 10 CDCDLO COc1cc(C[N@@H+](C)C2(C)COC2)cc(O)c1O ZINC001204346020 939758595 /nfs/dbraw/zinc/75/85/95/939758595.db2.gz JNUCFBSWBUJKMO-UHFFFAOYSA-N 1 2 253.298 1.327 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC000316455117 941486213 /nfs/dbraw/zinc/48/62/13/941486213.db2.gz OTAWPCURNPWMGP-ZWNOBZJWSA-N 1 2 299.754 1.033 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC000316455117 941486217 /nfs/dbraw/zinc/48/62/17/941486217.db2.gz OTAWPCURNPWMGP-ZWNOBZJWSA-N 1 2 299.754 1.033 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCn2nncc2C1 ZINC001231854701 943031276 /nfs/dbraw/zinc/03/12/76/943031276.db2.gz KVUYWYPMEGKIDX-UHFFFAOYSA-N 1 2 287.367 1.369 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCn2nncc2C1 ZINC001231854701 943031281 /nfs/dbraw/zinc/03/12/81/943031281.db2.gz KVUYWYPMEGKIDX-UHFFFAOYSA-N 1 2 287.367 1.369 20 10 CDCDLO [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001235993484 944360196 /nfs/dbraw/zinc/36/01/96/944360196.db2.gz SRVDHLFXDHKPLJ-FZMZJTMJSA-N 1 2 262.309 1.014 20 10 CDCDLO [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001235993484 944360205 /nfs/dbraw/zinc/36/02/05/944360205.db2.gz SRVDHLFXDHKPLJ-FZMZJTMJSA-N 1 2 262.309 1.014 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@H]1O ZINC001237804782 944958465 /nfs/dbraw/zinc/95/84/65/944958465.db2.gz GKHISTOUQQYFKQ-CABZTGNLSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@H]1O ZINC001237804782 944958468 /nfs/dbraw/zinc/95/84/68/944958468.db2.gz GKHISTOUQQYFKQ-CABZTGNLSA-N 1 2 289.734 1.360 20 10 CDCDLO COc1cc2[nH+]ccn2cc1-c1ccn(C)c(=O)c1 ZINC001240991790 946131730 /nfs/dbraw/zinc/13/17/30/946131730.db2.gz WYJNQWPUVMOLCY-UHFFFAOYSA-N 1 2 255.277 1.709 20 10 CDCDLO Nc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001342698339 963799346 /nfs/dbraw/zinc/79/93/46/963799346.db2.gz DBMDNCKLHRNAPE-LBPRGKRZSA-N 1 2 270.336 1.344 20 10 CDCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274385349 365645721 /nfs/dbraw/zinc/64/57/21/365645721.db2.gz BXLNOQJBUMYGCG-AWEZNQCLSA-N 1 2 267.300 1.523 20 10 CDCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274385349 365645725 /nfs/dbraw/zinc/64/57/25/365645725.db2.gz BXLNOQJBUMYGCG-AWEZNQCLSA-N 1 2 267.300 1.523 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072952754 349142216 /nfs/dbraw/zinc/14/22/16/349142216.db2.gz JBNBNAVZVBNOIY-CQSZACIVSA-N 1 2 293.363 1.936 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072952754 349142220 /nfs/dbraw/zinc/14/22/20/349142220.db2.gz JBNBNAVZVBNOIY-CQSZACIVSA-N 1 2 293.363 1.936 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(F)c(F)c1O ZINC000191198259 358119293 /nfs/dbraw/zinc/11/92/93/358119293.db2.gz JMBXHSXEBFYKIB-GZMMTYOYSA-N 1 2 284.306 1.990 20 10 CDCDLO CC(=O)NC1C[NH+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000297527068 371998518 /nfs/dbraw/zinc/99/85/18/371998518.db2.gz XISGGHSROSSPIS-UHFFFAOYSA-N 1 2 268.744 1.674 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1cc(C)ccc1O ZINC000093416325 390902310 /nfs/dbraw/zinc/90/23/10/390902310.db2.gz YHJUVEMXNZLSPC-UHFFFAOYSA-N 1 2 267.325 1.322 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1cc(C)ccc1O ZINC000093416325 390902311 /nfs/dbraw/zinc/90/23/11/390902311.db2.gz YHJUVEMXNZLSPC-UHFFFAOYSA-N 1 2 267.325 1.322 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000183374920 391263012 /nfs/dbraw/zinc/26/30/12/391263012.db2.gz PTHQHFNCKYSHCN-SNVBAGLBSA-N 1 2 268.744 1.743 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000183374920 391263015 /nfs/dbraw/zinc/26/30/15/391263015.db2.gz PTHQHFNCKYSHCN-SNVBAGLBSA-N 1 2 268.744 1.743 20 10 CDCDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1O)[C@@H]1COC[C@H]1O ZINC000289706261 391617864 /nfs/dbraw/zinc/61/78/64/391617864.db2.gz OSNRCDPTVXUFPY-GHMZBOCLSA-N 1 2 292.162 1.891 20 10 CDCDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)[C@@H]1COC[C@H]1O ZINC000289706261 391617865 /nfs/dbraw/zinc/61/78/65/391617865.db2.gz OSNRCDPTVXUFPY-GHMZBOCLSA-N 1 2 292.162 1.891 20 10 CDCDLO Cn1c[nH+]c2c1CCN(Cc1cccc(F)c1O)C2 ZINC000367929115 267128226 /nfs/dbraw/zinc/12/82/26/267128226.db2.gz LEXIIQGWTRHEDF-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Cn1cnc2c1CC[N@H+](Cc1cccc(F)c1O)C2 ZINC000367929115 267128227 /nfs/dbraw/zinc/12/82/27/267128227.db2.gz LEXIIQGWTRHEDF-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO Cn1cnc2c1CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC000367929115 267128231 /nfs/dbraw/zinc/12/82/31/267128231.db2.gz LEXIIQGWTRHEDF-UHFFFAOYSA-N 1 2 261.300 1.823 20 10 CDCDLO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(F)c(F)c1O ZINC000276935611 328220367 /nfs/dbraw/zinc/22/03/67/328220367.db2.gz OXWAGERGUNSWFR-YUMQZZPRSA-N 1 2 270.279 1.552 20 10 CDCDLO OC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)[C@H]1CCOC1 ZINC000280793322 527579567 /nfs/dbraw/zinc/57/95/67/527579567.db2.gz HQNPIQHTYVEJLB-NWDGAFQWSA-N 1 2 285.771 1.780 20 10 CDCDLO C[C@@H]1[C@H](C)N(C(=O)C2=CC(=O)CS2)CC[N@H+]1C ZINC000771418859 575578335 /nfs/dbraw/zinc/57/83/35/575578335.db2.gz OPWWZIPUYWZTDS-BDAKNGLRSA-N 1 2 254.355 1.618 20 10 CDCDLO C[C@@H]1[C@H](C)N(C(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000771418859 575578337 /nfs/dbraw/zinc/57/83/37/575578337.db2.gz OPWWZIPUYWZTDS-BDAKNGLRSA-N 1 2 254.355 1.618 20 10 CDCDLO C[N@H+](Cc1ncc[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC000738299010 576057552 /nfs/dbraw/zinc/05/75/52/576057552.db2.gz MAFWDYWGDIEJOW-UHFFFAOYSA-N 1 2 286.379 1.878 20 10 CDCDLO C[N@@H+](Cc1ncc[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC000738299010 576057553 /nfs/dbraw/zinc/05/75/53/576057553.db2.gz MAFWDYWGDIEJOW-UHFFFAOYSA-N 1 2 286.379 1.878 20 10 CDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]CCOC2CCC2)c1 ZINC000742385869 576599592 /nfs/dbraw/zinc/59/95/92/576599592.db2.gz ZEXJLRJSBKQOAC-UHFFFAOYSA-N 1 2 266.297 1.959 20 10 CDCDLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000895327968 619565688 /nfs/dbraw/zinc/56/56/88/619565688.db2.gz FONAWCWXPPWRDN-GWCFXTLKSA-N 1 2 271.744 1.363 20 10 CDCDLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000895327968 619565689 /nfs/dbraw/zinc/56/56/89/619565689.db2.gz FONAWCWXPPWRDN-GWCFXTLKSA-N 1 2 271.744 1.363 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1O ZINC000898187228 621381314 /nfs/dbraw/zinc/38/13/14/621381314.db2.gz ICGQPZFRIZFDQO-GHMZBOCLSA-N 1 2 289.734 1.959 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1O ZINC000898187228 621381323 /nfs/dbraw/zinc/38/13/23/621381323.db2.gz ICGQPZFRIZFDQO-GHMZBOCLSA-N 1 2 289.734 1.959 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCn3cccc3C1)[C@@H](O)CO2 ZINC000905745540 626958196 /nfs/dbraw/zinc/95/81/96/626958196.db2.gz NUKPAAYTGVZHDG-HNNXBMFYSA-N 1 2 286.331 1.635 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCn3cccc3C1)[C@@H](O)CO2 ZINC000905745540 626958200 /nfs/dbraw/zinc/95/82/00/626958200.db2.gz NUKPAAYTGVZHDG-HNNXBMFYSA-N 1 2 286.331 1.635 20 10 CDCDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)N(C)C ZINC001589956838 1173210625 /nfs/dbraw/zinc/21/06/25/1173210625.db2.gz DQTHWYVJNBNNID-UWVGGRQHSA-N 1 2 290.371 1.173 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817940106 796728912 /nfs/dbraw/zinc/72/89/12/796728912.db2.gz FAVFDHZNFGVJTQ-VHSXEESVSA-N 1 2 265.313 1.703 20 10 CDCDLO Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c(O)c1O ZINC000857948898 797023596 /nfs/dbraw/zinc/02/35/96/797023596.db2.gz STXBYJBVLIXNFR-JTQLQIEISA-N 1 2 287.319 1.348 20 10 CDCDLO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775736294 797353175 /nfs/dbraw/zinc/35/31/75/797353175.db2.gz BPLQFQCRKSSKDT-MRVPVSSYSA-N 1 2 288.750 1.999 20 10 CDCDLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775736294 797353182 /nfs/dbraw/zinc/35/31/82/797353182.db2.gz BPLQFQCRKSSKDT-MRVPVSSYSA-N 1 2 288.750 1.999 20 10 CDCDLO COCCN1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000882989270 797838803 /nfs/dbraw/zinc/83/88/03/797838803.db2.gz IYLPFQDBRXLZLA-LBPRGKRZSA-N 1 2 286.322 1.481 20 10 CDCDLO CN(c1ccc2c(c1)CC(=O)N2)c1[nH+]cccc1N ZINC001176425651 914114420 /nfs/dbraw/zinc/11/44/20/914114420.db2.gz ZIIFJGLUJRPFJA-UHFFFAOYSA-N 1 2 254.293 1.926 20 10 CDCDLO O=S1CC2(C[NH+](Cc3c(O)cccc3F)C2)C1 ZINC001137832970 936417795 /nfs/dbraw/zinc/41/77/95/936417795.db2.gz OFDNFCJLGJSAFP-UHFFFAOYSA-N 1 2 255.314 1.096 20 10 CDCDLO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001140462642 936712180 /nfs/dbraw/zinc/71/21/80/936712180.db2.gz JUJUXDGNPKLQBZ-WDEREUQCSA-N 1 2 259.708 1.950 20 10 CDCDLO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001140462642 936712182 /nfs/dbraw/zinc/71/21/82/936712182.db2.gz JUJUXDGNPKLQBZ-WDEREUQCSA-N 1 2 259.708 1.950 20 10 CDCDLO CC[N@H+](Cc1ccc(N2CCOCC2)cc1F)C1COC1 ZINC001140663754 936736535 /nfs/dbraw/zinc/73/65/35/936736535.db2.gz OIUDUKAONIPMCN-UHFFFAOYSA-N 1 2 294.370 1.883 20 10 CDCDLO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C1COC1 ZINC001140663754 936736536 /nfs/dbraw/zinc/73/65/36/936736536.db2.gz OIUDUKAONIPMCN-UHFFFAOYSA-N 1 2 294.370 1.883 20 10 CDCDLO CCN1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CC1=O ZINC000708536112 923205801 /nfs/dbraw/zinc/20/58/01/923205801.db2.gz WSTMSVDEEFDHMU-JTQLQIEISA-N 1 2 270.279 1.381 20 10 CDCDLO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C(N)=O)c1ccccn1 ZINC000840949580 936969251 /nfs/dbraw/zinc/96/92/51/936969251.db2.gz YMULVCKTUMCWGR-MRXNPFEDSA-N 1 2 298.390 1.772 20 10 CDCDLO CC[N@H+](CC(=O)N(C)C)Cc1c(O)cccc1Cl ZINC000133209738 930333144 /nfs/dbraw/zinc/33/31/44/930333144.db2.gz BIKGLTHYIZZIIP-UHFFFAOYSA-N 1 2 270.760 1.956 20 10 CDCDLO CC[N@@H+](CC(=O)N(C)C)Cc1c(O)cccc1Cl ZINC000133209738 930333149 /nfs/dbraw/zinc/33/31/49/930333149.db2.gz BIKGLTHYIZZIIP-UHFFFAOYSA-N 1 2 270.760 1.956 20 10 CDCDLO C[N@@H+]1CCC2(CN(Cc3c(F)ccc(F)c3O)C2)C1 ZINC001275360722 931747477 /nfs/dbraw/zinc/74/74/77/931747477.db2.gz HXFJPIUEWGBMFQ-UHFFFAOYSA-N 1 2 268.307 1.808 20 10 CDCDLO C[N@H+]1CCC2(CN(Cc3c(F)ccc(F)c3O)C2)C1 ZINC001275360722 931747479 /nfs/dbraw/zinc/74/74/79/931747479.db2.gz HXFJPIUEWGBMFQ-UHFFFAOYSA-N 1 2 268.307 1.808 20 10 CDCDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(O)c(O)c(O)c1 ZINC001148583280 932751039 /nfs/dbraw/zinc/75/10/39/932751039.db2.gz WNKOSTRKOFISQA-UHFFFAOYSA-N 1 2 285.259 1.703 20 10 CDCDLO Oc1ccc(C[N@@H+]2CCC3(C2)OCCO3)cc1O ZINC001203879097 939710857 /nfs/dbraw/zinc/71/08/57/939710857.db2.gz LQEGGVPSBKLKSE-UHFFFAOYSA-N 1 2 251.282 1.047 20 10 CDCDLO Oc1ccc(C[N@H+]2CCC3(C2)OCCO3)cc1O ZINC001203879097 939710860 /nfs/dbraw/zinc/71/08/60/939710860.db2.gz LQEGGVPSBKLKSE-UHFFFAOYSA-N 1 2 251.282 1.047 20 10 CDCDLO COc1cc(C[N@H+](C)Cc2cnccn2)cc(O)c1O ZINC001204345797 939758437 /nfs/dbraw/zinc/75/84/37/939758437.db2.gz XVXXTBQRHNPAHS-UHFFFAOYSA-N 1 2 275.308 1.528 20 10 CDCDLO COc1cc(C[N@@H+](C)Cc2cnccn2)cc(O)c1O ZINC001204345797 939758439 /nfs/dbraw/zinc/75/84/39/939758439.db2.gz XVXXTBQRHNPAHS-UHFFFAOYSA-N 1 2 275.308 1.528 20 10 CDCDLO C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001205830249 939942331 /nfs/dbraw/zinc/94/23/31/939942331.db2.gz SJNBNGAZTQJKDN-GXFFZTMASA-N 1 2 278.352 1.650 20 10 CDCDLO C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001205830249 939942333 /nfs/dbraw/zinc/94/23/33/939942333.db2.gz SJNBNGAZTQJKDN-GXFFZTMASA-N 1 2 278.352 1.650 20 10 CDCDLO CCN1C[C@@H](C)[N@H+](Cc2cc(OC)c(O)cc2O)CC1=O ZINC001231639155 942955441 /nfs/dbraw/zinc/95/54/41/942955441.db2.gz MGELSZUVNBRGRE-SNVBAGLBSA-N 1 2 294.351 1.159 20 10 CDCDLO CCN1C[C@@H](C)[N@@H+](Cc2cc(OC)c(O)cc2O)CC1=O ZINC001231639155 942955451 /nfs/dbraw/zinc/95/54/51/942955451.db2.gz MGELSZUVNBRGRE-SNVBAGLBSA-N 1 2 294.351 1.159 20 10 CDCDLO CN1CCC2(C[NH+](Cc3c(O)ccc(F)c3F)C2)C1=O ZINC001233336601 943548691 /nfs/dbraw/zinc/54/86/91/943548691.db2.gz RRIKWRSLVJECAZ-UHFFFAOYSA-N 1 2 282.290 1.335 20 10 CDCDLO CNC(=O)C[N@H+](C)Cc1cc(Cl)c(Cl)cc1O ZINC001236793148 944570814 /nfs/dbraw/zinc/57/08/14/944570814.db2.gz IGSRINHGNAHQAP-UHFFFAOYSA-N 1 2 277.151 1.877 20 10 CDCDLO CNC(=O)C[N@@H+](C)Cc1cc(Cl)c(Cl)cc1O ZINC001236793148 944570818 /nfs/dbraw/zinc/57/08/18/944570818.db2.gz IGSRINHGNAHQAP-UHFFFAOYSA-N 1 2 277.151 1.877 20 10 CDCDLO COCCOC1C[NH+](Cc2cc(F)cc(C)c2O)C1 ZINC001238068575 945048658 /nfs/dbraw/zinc/04/86/58/945048658.db2.gz ZVZHYLZUJYVTRE-UHFFFAOYSA-N 1 2 269.316 1.687 20 10 CDCDLO C[N@H+](CCNS(C)(=O)=O)Cc1cccc(Cl)c1O ZINC001319935800 958799391 /nfs/dbraw/zinc/79/93/91/958799391.db2.gz YDXRETNYHPQMAA-UHFFFAOYSA-N 1 2 292.788 1.027 20 10 CDCDLO C[N@@H+](CCNS(C)(=O)=O)Cc1cccc(Cl)c1O ZINC001319935800 958799406 /nfs/dbraw/zinc/79/94/06/958799406.db2.gz YDXRETNYHPQMAA-UHFFFAOYSA-N 1 2 292.788 1.027 20 10 CDCDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000274407612 365654515 /nfs/dbraw/zinc/65/45/15/365654515.db2.gz ZEFQWGUEAMSZLP-LLVKDONJSA-N 1 2 293.319 1.648 20 10 CDCDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000274407612 365654519 /nfs/dbraw/zinc/65/45/19/365654519.db2.gz ZEFQWGUEAMSZLP-LLVKDONJSA-N 1 2 293.319 1.648 20 10 CDCDLO COCCc1noc(C[N@H+](C)Cc2cccc(C)c2O)n1 ZINC000180376136 357265900 /nfs/dbraw/zinc/26/59/00/357265900.db2.gz COCMNBHLFWKVME-UHFFFAOYSA-N 1 2 291.351 1.905 20 10 CDCDLO COCCc1noc(C[N@@H+](C)Cc2cccc(C)c2O)n1 ZINC000180376136 357265906 /nfs/dbraw/zinc/26/59/06/357265906.db2.gz COCMNBHLFWKVME-UHFFFAOYSA-N 1 2 291.351 1.905 20 10 CDCDLO COCCC[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000188932244 357954531 /nfs/dbraw/zinc/95/45/31/357954531.db2.gz GGQFJQBYGLMCBW-UHFFFAOYSA-N 1 2 273.760 1.876 20 10 CDCDLO COCCC[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000188932244 357954533 /nfs/dbraw/zinc/95/45/33/357954533.db2.gz GGQFJQBYGLMCBW-UHFFFAOYSA-N 1 2 273.760 1.876 20 10 CDCDLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000195008056 358405066 /nfs/dbraw/zinc/40/50/66/358405066.db2.gz KZXROHMHBBWUGF-GZMMTYOYSA-N 1 2 268.744 1.660 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000287804476 369315338 /nfs/dbraw/zinc/31/53/38/369315338.db2.gz JDSKWWXFWUQZNN-LLVKDONJSA-N 1 2 250.342 1.746 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000287804476 369315344 /nfs/dbraw/zinc/31/53/44/369315344.db2.gz JDSKWWXFWUQZNN-LLVKDONJSA-N 1 2 250.342 1.746 20 10 CDCDLO CCOc1cccc(C[NH2+][C@@H](C)c2ncn(C)n2)c1O ZINC000275827474 371205328 /nfs/dbraw/zinc/20/53/28/371205328.db2.gz NSINDVRZWCVGEA-JTQLQIEISA-N 1 2 276.340 1.770 20 10 CDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000249247603 377416878 /nfs/dbraw/zinc/41/68/78/377416878.db2.gz BGTGUNVUAKPHLT-CABCVRRESA-N 1 2 292.379 1.251 20 10 CDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000249247603 377416881 /nfs/dbraw/zinc/41/68/81/377416881.db2.gz BGTGUNVUAKPHLT-CABCVRRESA-N 1 2 292.379 1.251 20 10 CDCDLO COC(=O)C(C)(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000037085230 390412863 /nfs/dbraw/zinc/41/28/63/390412863.db2.gz ZTONMDTZRHUAKN-UHFFFAOYSA-N 1 2 250.342 1.794 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160085869 390943968 /nfs/dbraw/zinc/94/39/68/390943968.db2.gz XFXOMTMSMMNJCO-LBPRGKRZSA-N 1 2 285.347 1.810 20 10 CDCDLO C[C@@H](C[S@](C)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000164408074 261350351 /nfs/dbraw/zinc/35/03/51/261350351.db2.gz VXUWULBFUOZIKV-ZKANADHPSA-N 1 2 261.774 1.902 20 10 CDCDLO CO[C@@H](C)CC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591322424 1173607679 /nfs/dbraw/zinc/60/76/79/1173607679.db2.gz QNUGKYYCWOSAJH-VHSXEESVSA-N 1 2 291.355 1.648 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C2)c1O ZINC000061710879 518277620 /nfs/dbraw/zinc/27/76/20/518277620.db2.gz UNESZMWBITUMAQ-NSHDSACASA-N 1 2 269.728 1.815 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](O)C2)c1O ZINC000061710879 518277631 /nfs/dbraw/zinc/27/76/31/518277631.db2.gz UNESZMWBITUMAQ-NSHDSACASA-N 1 2 269.728 1.815 20 10 CDCDLO CC[N@H+](C[C@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 ZINC000279847870 521272917 /nfs/dbraw/zinc/27/29/17/521272917.db2.gz ATWZHHNRSHYTCT-GFCCVEGCSA-N 1 2 283.393 1.956 20 10 CDCDLO CC[N@@H+](C[C@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 ZINC000279847870 521272925 /nfs/dbraw/zinc/27/29/25/521272925.db2.gz ATWZHHNRSHYTCT-GFCCVEGCSA-N 1 2 283.393 1.956 20 10 CDCDLO CCNC(=O)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000127869030 521745491 /nfs/dbraw/zinc/74/54/91/521745491.db2.gz PAZHWBJHRDYYNZ-QMMMGPOBSA-N 1 2 256.733 1.660 20 10 CDCDLO Cc1[nH]c(C(=O)NCc2ccc(N(C)C)c(F)c2)c[nH+]1 ZINC000264906119 526650207 /nfs/dbraw/zinc/65/02/07/526650207.db2.gz YFAXARWAOWTGNE-UHFFFAOYSA-N 1 2 276.315 1.853 20 10 CDCDLO Cn1cc[nH+]c1CNC(=O)NCc1ccccc1O ZINC000728747652 574644216 /nfs/dbraw/zinc/64/42/16/574644216.db2.gz MBWWBWZIOOBKBM-UHFFFAOYSA-N 1 2 260.297 1.125 20 10 CDCDLO CCC[NH+]1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732277648 575085990 /nfs/dbraw/zinc/08/59/90/575085990.db2.gz PZZPMQTYCNMNMS-UHFFFAOYSA-N 1 2 254.355 1.622 20 10 CDCDLO CCN(C)c1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000773754508 575837861 /nfs/dbraw/zinc/83/78/61/575837861.db2.gz GLJSQZXJWCALQA-UHFFFAOYSA-N 1 2 266.410 1.707 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1c(O)cccc1OC ZINC000768245610 576266434 /nfs/dbraw/zinc/26/64/34/576266434.db2.gz BNBWAUCAVUZRQW-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1c(O)cccc1OC ZINC000768245610 576266435 /nfs/dbraw/zinc/26/64/35/576266435.db2.gz BNBWAUCAVUZRQW-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1cc(F)cc(F)c1O ZINC000756732498 577002272 /nfs/dbraw/zinc/00/22/72/577002272.db2.gz MBVSVVITFWNCRZ-ZETCQYMHSA-N 1 2 295.293 1.843 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]CCO[C@H]1CCOC1 ZINC000897201772 620414310 /nfs/dbraw/zinc/41/43/10/620414310.db2.gz NHQZBSAXABGXTO-NSHDSACASA-N 1 2 271.744 1.941 20 10 CDCDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000911659883 629380452 /nfs/dbraw/zinc/38/04/52/629380452.db2.gz GPXVOWSANSXNJA-VXGBXAGGSA-N 1 2 256.309 1.745 20 10 CDCDLO Nc1cc(COC(=O)C2=CC(=O)CS2)cc[nH+]1 ZINC000791884984 1162248151 /nfs/dbraw/zinc/24/81/51/1162248151.db2.gz HAOCXAYBTNZRAE-UHFFFAOYSA-N 1 2 250.279 1.788 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1cc(OC)ccc1O ZINC000179672976 812375541 /nfs/dbraw/zinc/37/55/41/812375541.db2.gz QILMTNCWVWGFOH-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1cc(OC)ccc1O ZINC000179672976 812375552 /nfs/dbraw/zinc/37/55/52/812375552.db2.gz QILMTNCWVWGFOH-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO CCn1ncnc1C[NH2+]Cc1cccc(Cl)c1O ZINC000793346947 805032688 /nfs/dbraw/zinc/03/26/88/805032688.db2.gz WCGMYHPMOSOQQI-UHFFFAOYSA-N 1 2 266.732 1.947 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703489702 812084396 /nfs/dbraw/zinc/08/43/96/812084396.db2.gz HJSLVALTMNVKJB-SNVBAGLBSA-N 1 2 270.279 1.381 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703489702 812084404 /nfs/dbraw/zinc/08/44/04/812084404.db2.gz HJSLVALTMNVKJB-SNVBAGLBSA-N 1 2 270.279 1.381 20 10 CDCDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)NC ZINC000825316709 812812620 /nfs/dbraw/zinc/81/26/20/812812620.db2.gz RMVBIDWZKVTULM-JTQLQIEISA-N 1 2 274.723 1.799 20 10 CDCDLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776010306 813806010 /nfs/dbraw/zinc/80/60/10/813806010.db2.gz RGGAMZDYXSBTOP-UWVGGRQHSA-N 1 2 275.707 1.112 20 10 CDCDLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776010306 813806014 /nfs/dbraw/zinc/80/60/14/813806014.db2.gz RGGAMZDYXSBTOP-UWVGGRQHSA-N 1 2 275.707 1.112 20 10 CDCDLO Cc1noc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)n1 ZINC000848506127 814167015 /nfs/dbraw/zinc/16/70/15/814167015.db2.gz UNENAPQUMFBHKX-LBPRGKRZSA-N 1 2 291.307 1.141 20 10 CDCDLO Cc1noc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)n1 ZINC000848506127 814167031 /nfs/dbraw/zinc/16/70/31/814167031.db2.gz UNENAPQUMFBHKX-LBPRGKRZSA-N 1 2 291.307 1.141 20 10 CDCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H]1COCCO1 ZINC000827141643 814491882 /nfs/dbraw/zinc/49/18/82/814491882.db2.gz WIJSXEXVQDTWAR-LLVKDONJSA-N 1 2 271.744 1.893 20 10 CDCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@@H]1COCCO1 ZINC000827141643 814491902 /nfs/dbraw/zinc/49/19/02/814491902.db2.gz WIJSXEXVQDTWAR-LLVKDONJSA-N 1 2 271.744 1.893 20 10 CDCDLO CC(C)[N@H+](CC(N)=O)Cc1cc(F)cc(F)c1O ZINC000708386561 814712413 /nfs/dbraw/zinc/71/24/13/814712413.db2.gz VQKOKIBLNXRDLH-UHFFFAOYSA-N 1 2 258.268 1.366 20 10 CDCDLO CC(C)[N@@H+](CC(N)=O)Cc1cc(F)cc(F)c1O ZINC000708386561 814712419 /nfs/dbraw/zinc/71/24/19/814712419.db2.gz VQKOKIBLNXRDLH-UHFFFAOYSA-N 1 2 258.268 1.366 20 10 CDCDLO OC[C@H]1[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]12 ZINC000814172615 816899030 /nfs/dbraw/zinc/89/90/30/816899030.db2.gz VXFKCZSCXGCKRP-URLYPYJESA-N 1 2 271.719 1.855 20 10 CDCDLO OC[C@H]1[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]12 ZINC000814172615 816899032 /nfs/dbraw/zinc/89/90/32/816899032.db2.gz VXFKCZSCXGCKRP-URLYPYJESA-N 1 2 271.719 1.855 20 10 CDCDLO COc1cccc(C[N@H+](C)Cc2nnc(C)o2)c1O ZINC000827039495 817383236 /nfs/dbraw/zinc/38/32/36/817383236.db2.gz WNPUIYWXXLMLEC-UHFFFAOYSA-N 1 2 263.297 1.724 20 10 CDCDLO COc1cccc(C[N@@H+](C)Cc2nnc(C)o2)c1O ZINC000827039495 817383245 /nfs/dbraw/zinc/38/32/45/817383245.db2.gz WNPUIYWXXLMLEC-UHFFFAOYSA-N 1 2 263.297 1.724 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000825017710 817389258 /nfs/dbraw/zinc/38/92/58/817389258.db2.gz XYCHJKLMLGBHIN-GHMZBOCLSA-N 1 2 275.707 1.376 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000825017710 817389273 /nfs/dbraw/zinc/38/92/73/817389273.db2.gz XYCHJKLMLGBHIN-GHMZBOCLSA-N 1 2 275.707 1.376 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC000935945188 817860872 /nfs/dbraw/zinc/86/08/72/817860872.db2.gz OBNBJSGZOXHWDL-LLVKDONJSA-N 1 2 283.368 1.588 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC[N@H+]1C ZINC000935945188 817860874 /nfs/dbraw/zinc/86/08/74/817860874.db2.gz OBNBJSGZOXHWDL-LLVKDONJSA-N 1 2 283.368 1.588 20 10 CDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167892840 901694196 /nfs/dbraw/zinc/69/41/96/901694196.db2.gz ZFHVFLFZNAGMBU-RNJOBUHISA-N 1 2 291.347 1.570 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C(N)=O)c(Cl)c1 ZINC001236801412 916467701 /nfs/dbraw/zinc/46/77/01/916467701.db2.gz CJOIFUDHKBNPDD-NSHDSACASA-N 1 2 284.743 1.504 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCC[C@H]2C(N)=O)c(Cl)c1 ZINC001236801412 916467710 /nfs/dbraw/zinc/46/77/10/916467710.db2.gz CJOIFUDHKBNPDD-NSHDSACASA-N 1 2 284.743 1.504 20 10 CDCDLO OC[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C[C@H]1O ZINC001237120097 917317890 /nfs/dbraw/zinc/31/78/90/917317890.db2.gz JALCZFBSQPJVDU-QPUJVOFHSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C[C@H]1O ZINC001237120097 917317904 /nfs/dbraw/zinc/31/79/04/917317904.db2.gz JALCZFBSQPJVDU-QPUJVOFHSA-N 1 2 289.734 1.360 20 10 CDCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)C)CC2)c(C)c1 ZINC001203021110 936698645 /nfs/dbraw/zinc/69/86/45/936698645.db2.gz JXHVGGJCLYLRSY-UHFFFAOYSA-N 1 2 291.395 1.214 20 10 CDCDLO CN(C1COC1)C1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC001140341216 936703238 /nfs/dbraw/zinc/70/32/38/936703238.db2.gz DUALOAWCIWJSEY-UHFFFAOYSA-N 1 2 282.771 1.560 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141143926 936819796 /nfs/dbraw/zinc/81/97/96/936819796.db2.gz OBCGDCFCAMBKMQ-LLVKDONJSA-N 1 2 278.352 1.509 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141143926 936819797 /nfs/dbraw/zinc/81/97/97/936819797.db2.gz OBCGDCFCAMBKMQ-LLVKDONJSA-N 1 2 278.352 1.509 20 10 CDCDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160940 936823161 /nfs/dbraw/zinc/82/31/61/936823161.db2.gz KDEMFNPFGJPSKO-LBPRGKRZSA-N 1 2 285.365 1.107 20 10 CDCDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141160940 936823163 /nfs/dbraw/zinc/82/31/63/936823163.db2.gz KDEMFNPFGJPSKO-LBPRGKRZSA-N 1 2 285.365 1.107 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](CF)C1)OCO2 ZINC000840171854 936941840 /nfs/dbraw/zinc/94/18/40/936941840.db2.gz PVNNGURJHSEJNJ-SNVBAGLBSA-N 1 2 269.272 1.291 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](CF)C1)OCO2 ZINC000840171854 936941842 /nfs/dbraw/zinc/94/18/42/936941842.db2.gz PVNNGURJHSEJNJ-SNVBAGLBSA-N 1 2 269.272 1.291 20 10 CDCDLO COc1cccc(C[NH2+][C@@H](C)c2noc(C)n2)c1O ZINC001117646279 937539783 /nfs/dbraw/zinc/53/97/83/937539783.db2.gz XEGPHACYONJAKF-QMMMGPOBSA-N 1 2 263.297 1.943 20 10 CDCDLO COc1cc(C)c(C[N@H+](C)Cc2cn(C)nn2)c(O)c1 ZINC001308865960 931980488 /nfs/dbraw/zinc/98/04/88/931980488.db2.gz SHDBYYLMAMXDAC-UHFFFAOYSA-N 1 2 276.340 1.470 20 10 CDCDLO COc1cc(C)c(C[N@@H+](C)Cc2cn(C)nn2)c(O)c1 ZINC001308865960 931980493 /nfs/dbraw/zinc/98/04/93/931980493.db2.gz SHDBYYLMAMXDAC-UHFFFAOYSA-N 1 2 276.340 1.470 20 10 CDCDLO COc1ncnc2c1CC[N@H+](Cc1cccc(F)c1O)C2 ZINC001138127470 932457796 /nfs/dbraw/zinc/45/77/96/932457796.db2.gz DTDIFZALULFLPP-UHFFFAOYSA-N 1 2 289.310 1.888 20 10 CDCDLO COc1ncnc2c1CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001138127470 932457800 /nfs/dbraw/zinc/45/78/00/932457800.db2.gz DTDIFZALULFLPP-UHFFFAOYSA-N 1 2 289.310 1.888 20 10 CDCDLO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc(O)c1O ZINC001204344703 939758643 /nfs/dbraw/zinc/75/86/43/939758643.db2.gz BKAJAJFNWVMTFC-NSHDSACASA-N 1 2 294.351 1.159 20 10 CDCDLO COc1cc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)cc(O)c1O ZINC001204344703 939758645 /nfs/dbraw/zinc/75/86/45/939758645.db2.gz BKAJAJFNWVMTFC-NSHDSACASA-N 1 2 294.351 1.159 20 10 CDCDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204351131 939759962 /nfs/dbraw/zinc/75/99/62/939759962.db2.gz NFVCHUHLJJQFMD-NSHDSACASA-N 1 2 294.351 1.207 20 10 CDCDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204351131 939759963 /nfs/dbraw/zinc/75/99/63/939759963.db2.gz NFVCHUHLJJQFMD-NSHDSACASA-N 1 2 294.351 1.207 20 10 CDCDLO COc1cc(N(C)C)ccc1C[NH+]1CC(N(C)C(C)=O)C1 ZINC001231853786 943030139 /nfs/dbraw/zinc/03/01/39/943030139.db2.gz RBKZDDQWKQOHAA-UHFFFAOYSA-N 1 2 291.395 1.424 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001231855111 943031325 /nfs/dbraw/zinc/03/13/25/943031325.db2.gz QOCZSILGNHXKSE-OKILXGFUSA-N 1 2 262.353 1.734 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001231855111 943031331 /nfs/dbraw/zinc/03/13/31/943031331.db2.gz QOCZSILGNHXKSE-OKILXGFUSA-N 1 2 262.353 1.734 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC001231852632 943031818 /nfs/dbraw/zinc/03/18/18/943031818.db2.gz YTPPOLDTPIFBCC-LBPRGKRZSA-N 1 2 264.369 1.982 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@H](C)C1 ZINC001231852632 943031822 /nfs/dbraw/zinc/03/18/22/943031822.db2.gz YTPPOLDTPIFBCC-LBPRGKRZSA-N 1 2 264.369 1.982 20 10 CDCDLO Oc1cc(C[N@@H+]2CC[C@@]23CCOC3)cc(O)c1O ZINC001233016246 943464878 /nfs/dbraw/zinc/46/48/78/943464878.db2.gz QDSKZGDGBIRSPF-ZDUSSCGKSA-N 1 2 251.282 1.168 20 10 CDCDLO Oc1cc(C[N@H+]2CC[C@@]23CCOC3)cc(O)c1O ZINC001233016246 943464883 /nfs/dbraw/zinc/46/48/83/943464883.db2.gz QDSKZGDGBIRSPF-ZDUSSCGKSA-N 1 2 251.282 1.168 20 10 CDCDLO C[N@H+](CCN1CCOCC1)Cc1c(O)ccc(F)c1F ZINC001233331630 943545260 /nfs/dbraw/zinc/54/52/60/943545260.db2.gz DRBFIQFFOFCMHB-UHFFFAOYSA-N 1 2 286.322 1.434 20 10 CDCDLO C[N@@H+](CCN1CCOCC1)Cc1c(O)ccc(F)c1F ZINC001233331630 943545266 /nfs/dbraw/zinc/54/52/66/943545266.db2.gz DRBFIQFFOFCMHB-UHFFFAOYSA-N 1 2 286.322 1.434 20 10 CDCDLO CCc1ccc(C[N@@H+]2CCO[C@@H](CC(=O)OC)C2)c(O)c1 ZINC001236795670 944571902 /nfs/dbraw/zinc/57/19/02/944571902.db2.gz YOFCUGYXVCYXLN-AWEZNQCLSA-N 1 2 293.363 1.719 20 10 CDCDLO CCc1ccc(C[N@H+]2CCO[C@@H](CC(=O)OC)C2)c(O)c1 ZINC001236795670 944571907 /nfs/dbraw/zinc/57/19/07/944571907.db2.gz YOFCUGYXVCYXLN-AWEZNQCLSA-N 1 2 293.363 1.719 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@H]1O ZINC001237119728 944661187 /nfs/dbraw/zinc/66/11/87/944661187.db2.gz FEDNSYGZTNYBAU-KCJUWKMLSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@H]1O ZINC001237119728 944661191 /nfs/dbraw/zinc/66/11/91/944661191.db2.gz FEDNSYGZTNYBAU-KCJUWKMLSA-N 1 2 289.734 1.360 20 10 CDCDLO CCOC1C[NH+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237674690 944917819 /nfs/dbraw/zinc/91/78/19/944917819.db2.gz LKAMYKXNRLAVOD-UHFFFAOYSA-N 1 2 267.325 1.630 20 10 CDCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC001237934692 945010072 /nfs/dbraw/zinc/01/00/72/945010072.db2.gz NBLWBFNKXYFWAO-VIFPVBQESA-N 1 2 275.707 1.378 20 10 CDCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC001237934692 945010083 /nfs/dbraw/zinc/01/00/83/945010083.db2.gz NBLWBFNKXYFWAO-VIFPVBQESA-N 1 2 275.707 1.378 20 10 CDCDLO Cc1cc(F)cc(C[N@@H+]2CCO[C@H](CO)C2)c1O ZINC001238055615 945041417 /nfs/dbraw/zinc/04/14/17/945041417.db2.gz AKWGLDDRBBWLNH-LBPRGKRZSA-N 1 2 255.289 1.033 20 10 CDCDLO Cc1cc(F)cc(C[N@H+]2CCO[C@H](CO)C2)c1O ZINC001238055615 945041426 /nfs/dbraw/zinc/04/14/26/945041426.db2.gz AKWGLDDRBBWLNH-LBPRGKRZSA-N 1 2 255.289 1.033 20 10 CDCDLO O=C(NCc1cccc(O)c1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001349079974 966265738 /nfs/dbraw/zinc/26/57/38/966265738.db2.gz VEEXHXYDTCBHKO-JTQLQIEISA-N 1 2 287.319 1.173 20 10 CDCDLO Cn1cc[nH+]c1CCC(=O)NCc1ccccc1O ZINC001528037945 968792668 /nfs/dbraw/zinc/79/26/68/968792668.db2.gz RVMZONUTZAOJAC-UHFFFAOYSA-N 1 2 259.309 1.375 20 10 CDCDLO CCc1cccc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1O ZINC000848915201 969352097 /nfs/dbraw/zinc/35/20/97/969352097.db2.gz DPABWRXJCIPISG-OKILXGFUSA-N 1 2 292.423 1.842 20 10 CDCDLO CCc1cccc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1O ZINC000848915201 969352106 /nfs/dbraw/zinc/35/21/06/969352106.db2.gz DPABWRXJCIPISG-OKILXGFUSA-N 1 2 292.423 1.842 20 10 CDCDLO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001605005317 1163411864 /nfs/dbraw/zinc/41/18/64/1163411864.db2.gz GMKMCCCSFZLUIB-OPRDCNLKSA-N 1 2 291.355 1.646 20 10 CDCDLO C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(C(=O)[O-])ccc1O ZINC001593252080 994503343 /nfs/dbraw/zinc/50/33/43/994503343.db2.gz NHPMECIIKMJWCV-JQWIXIFHSA-N 1 2 278.352 1.883 20 10 CDCDLO COC(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466366 345242461 /nfs/dbraw/zinc/24/24/61/345242461.db2.gz CFTDBXRODOELIM-UHFFFAOYSA-N 1 2 278.352 1.380 20 10 CDCDLO COC(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466366 345242464 /nfs/dbraw/zinc/24/24/64/345242464.db2.gz CFTDBXRODOELIM-UHFFFAOYSA-N 1 2 278.352 1.380 20 10 CDCDLO CNC(=O)C[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000050133791 524071260 /nfs/dbraw/zinc/07/12/60/524071260.db2.gz DDUDSGOSWHCNGX-UHFFFAOYSA-N 1 2 284.743 1.426 20 10 CDCDLO CNC(=O)C[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000050133791 524071261 /nfs/dbraw/zinc/07/12/61/524071261.db2.gz DDUDSGOSWHCNGX-UHFFFAOYSA-N 1 2 284.743 1.426 20 10 CDCDLO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)[nH]n1 ZINC000041014676 526427848 /nfs/dbraw/zinc/42/78/48/526427848.db2.gz AUBJYDDGLIIKSY-UHFFFAOYSA-N 1 2 272.352 1.536 20 10 CDCDLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000364867278 527596780 /nfs/dbraw/zinc/59/67/80/527596780.db2.gz XDSKJWYLAXPBHQ-JGVFFNPUSA-N 1 2 275.707 1.112 20 10 CDCDLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000364867278 527596777 /nfs/dbraw/zinc/59/67/77/527596777.db2.gz XDSKJWYLAXPBHQ-JGVFFNPUSA-N 1 2 275.707 1.112 20 10 CDCDLO O=C(C1=CC(=O)CS1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000732285023 575087021 /nfs/dbraw/zinc/08/70/21/575087021.db2.gz NTPBGRILBQFQPU-UHFFFAOYSA-N 1 2 276.317 1.752 20 10 CDCDLO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000760041245 576454196 /nfs/dbraw/zinc/45/41/96/576454196.db2.gz XIETWLFTAWTHJL-JGVFFNPUSA-N 1 2 290.266 1.967 20 10 CDCDLO COc1ccc(C[N@H+](C)Cc2cc[nH]n2)c(O)c1OC ZINC000892012292 617407507 /nfs/dbraw/zinc/40/75/07/617407507.db2.gz NQYZSUTWCGYNBY-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO COc1ccc(C[N@@H+](C)Cc2cc[nH]n2)c(O)c1OC ZINC000892012292 617407510 /nfs/dbraw/zinc/40/75/10/617407510.db2.gz NQYZSUTWCGYNBY-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO COc1cccc(O)c1C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000780791916 617798891 /nfs/dbraw/zinc/79/88/91/617798891.db2.gz CYZOSABVGOMACX-UHFFFAOYSA-N 1 2 278.352 1.453 20 10 CDCDLO COc1cccc(O)c1C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000780791916 617798895 /nfs/dbraw/zinc/79/88/95/617798895.db2.gz CYZOSABVGOMACX-UHFFFAOYSA-N 1 2 278.352 1.453 20 10 CDCDLO Oc1cccc(F)c1C[NH+]1CCN(c2cccnn2)CC1 ZINC001137837679 1161522391 /nfs/dbraw/zinc/52/23/91/1161522391.db2.gz QRZUOAXYDRSTRR-UHFFFAOYSA-N 1 2 288.326 1.644 20 10 CDCDLO C[C@@H]([NH2+]CC1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589974987 1173217554 /nfs/dbraw/zinc/21/75/54/1173217554.db2.gz DPPVNOOPVKYDSM-MRVPVSSYSA-N 1 2 259.313 1.633 20 10 CDCDLO CC[C@@H]([NH2+]C/C=C/CO)c1cccc(-c2nn[nH]n2)c1O ZINC001590467352 1173418283 /nfs/dbraw/zinc/41/82/83/1173418283.db2.gz PSVBLJFCMNRJTO-AAOUONPWSA-N 1 2 289.339 1.162 20 10 CDCDLO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603695266 1175600754 /nfs/dbraw/zinc/60/07/54/1175600754.db2.gz JPFGAOHEZUFAJK-KXUCPTDWSA-N 1 2 291.355 1.382 20 10 CDCDLO COC(=O)[C@@H]1CN(Cc2ccc(C)cc2O)CC[N@H+](C)C1 ZINC000877587862 1166063540 /nfs/dbraw/zinc/06/35/40/1166063540.db2.gz SEABURJFVSTREA-AWEZNQCLSA-N 1 2 292.379 1.237 20 10 CDCDLO COC(=O)[C@@H]1CN(Cc2ccc(C)cc2O)CC[N@@H+](C)C1 ZINC000877587862 1166063545 /nfs/dbraw/zinc/06/35/45/1166063545.db2.gz SEABURJFVSTREA-AWEZNQCLSA-N 1 2 292.379 1.237 20 10 CDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(O)c1O ZINC000126308236 819285174 /nfs/dbraw/zinc/28/51/74/819285174.db2.gz JDQDMAGOXCLXBP-SECBINFHSA-N 1 2 261.281 1.113 20 10 CDCDLO CN1CC[N@H+](Cc2cccc(Cl)c2O)CCC1=O ZINC000827359631 821777056 /nfs/dbraw/zinc/77/70/56/821777056.db2.gz QPIPXFFZANHXCN-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO CN1CC[N@@H+](Cc2cccc(Cl)c2O)CCC1=O ZINC000827359631 821777080 /nfs/dbraw/zinc/77/70/80/821777080.db2.gz QPIPXFFZANHXCN-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO FCC(CF)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824548979 822011373 /nfs/dbraw/zinc/01/13/73/822011373.db2.gz VDMGEGJQSNCIOH-UHFFFAOYSA-N 1 2 270.323 1.920 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c1O ZINC000783729060 907548760 /nfs/dbraw/zinc/54/87/60/907548760.db2.gz LVOVRARILYGKPB-NSHDSACASA-N 1 2 278.352 1.453 20 10 CDCDLO CCOc1cccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1O ZINC000783729060 907548768 /nfs/dbraw/zinc/54/87/68/907548768.db2.gz LVOVRARILYGKPB-NSHDSACASA-N 1 2 278.352 1.453 20 10 CDCDLO CC(=O)N1CCC2(C[NH+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001142520158 908845068 /nfs/dbraw/zinc/84/50/68/908845068.db2.gz CEVSOFJPZAXNAL-UHFFFAOYSA-N 1 2 296.317 1.725 20 10 CDCDLO CC(=O)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137833053 936418049 /nfs/dbraw/zinc/41/80/49/936418049.db2.gz QWHOFOJTHPOPSK-UHFFFAOYSA-N 1 2 252.289 1.195 20 10 CDCDLO O=C1C[N@@H+](Cc2c(O)cccc2F)CC2(CCCC2)N1 ZINC001137841342 936420144 /nfs/dbraw/zinc/42/01/44/936420144.db2.gz BCFYBBJMRRKBSA-UHFFFAOYSA-N 1 2 278.327 1.776 20 10 CDCDLO O=C1C[N@H+](Cc2c(O)cccc2F)CC2(CCCC2)N1 ZINC001137841342 936420146 /nfs/dbraw/zinc/42/01/46/936420146.db2.gz BCFYBBJMRRKBSA-UHFFFAOYSA-N 1 2 278.327 1.776 20 10 CDCDLO OCCCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140057422 936675242 /nfs/dbraw/zinc/67/52/42/936675242.db2.gz HBGJYPIXNFAVMO-UHFFFAOYSA-N 1 2 268.332 1.031 20 10 CDCDLO COc1cc(O)c(C[NH+]2CCN(C)CC2)c(OC)c1 ZINC001141031950 936795713 /nfs/dbraw/zinc/79/57/13/936795713.db2.gz OGIREYPVBAQWBF-UHFFFAOYSA-N 1 2 266.341 1.157 20 10 CDCDLO COC[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141144584 936819523 /nfs/dbraw/zinc/81/95/23/936819523.db2.gz HJUJZVFTUSOTLF-CQSZACIVSA-N 1 2 292.379 1.362 20 10 CDCDLO COC[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141144584 936819525 /nfs/dbraw/zinc/81/95/25/936819525.db2.gz HJUJZVFTUSOTLF-CQSZACIVSA-N 1 2 292.379 1.362 20 10 CDCDLO CCC[N@H+](CC(=O)OCC)Cc1cc(O)ccc1O ZINC001141160774 936823268 /nfs/dbraw/zinc/82/32/68/936823268.db2.gz HXIDVXCCGZEWCU-UHFFFAOYSA-N 1 2 267.325 1.873 20 10 CDCDLO CCC[N@@H+](CC(=O)OCC)Cc1cc(O)ccc1O ZINC001141160774 936823270 /nfs/dbraw/zinc/82/32/70/936823270.db2.gz HXIDVXCCGZEWCU-UHFFFAOYSA-N 1 2 267.325 1.873 20 10 CDCDLO COC(=O)Cc1ccc(NCc2ccc(O)c(O)c2)[nH+]c1 ZINC001169993774 928882649 /nfs/dbraw/zinc/88/26/49/928882649.db2.gz RKHVAJBGJFSLKV-UHFFFAOYSA-N 1 2 288.303 1.820 20 10 CDCDLO CC[N@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCNC1=O ZINC000799737738 937395716 /nfs/dbraw/zinc/39/57/16/937395716.db2.gz MCMGBJZQICULKJ-SNVBAGLBSA-N 1 2 286.734 1.895 20 10 CDCDLO CC[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCNC1=O ZINC000799737738 937395720 /nfs/dbraw/zinc/39/57/20/937395720.db2.gz MCMGBJZQICULKJ-SNVBAGLBSA-N 1 2 286.734 1.895 20 10 CDCDLO Cc1ccc(O)c(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c1 ZINC001275311877 931731525 /nfs/dbraw/zinc/73/15/25/931731525.db2.gz RUXWKQIWKNLYHU-OKILXGFUSA-N 1 2 262.353 1.215 20 10 CDCDLO Cc1ccc(O)c(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c1 ZINC001275311877 931731530 /nfs/dbraw/zinc/73/15/30/931731530.db2.gz RUXWKQIWKNLYHU-OKILXGFUSA-N 1 2 262.353 1.215 20 10 CDCDLO COc1cccc(C[N@@H+]2CCn3nccc3C2)c1O ZINC001203601692 939695298 /nfs/dbraw/zinc/69/52/98/939695298.db2.gz HKZCEUKYXIKBKL-UHFFFAOYSA-N 1 2 259.309 1.613 20 10 CDCDLO COc1cccc(C[N@H+]2CCn3nccc3C2)c1O ZINC001203601692 939695300 /nfs/dbraw/zinc/69/53/00/939695300.db2.gz HKZCEUKYXIKBKL-UHFFFAOYSA-N 1 2 259.309 1.613 20 10 CDCDLO C[N@@H+]1CCC12CN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001276616963 940437694 /nfs/dbraw/zinc/43/76/94/940437694.db2.gz LQLKFGYIMKFZFS-UHFFFAOYSA-N 1 2 268.744 1.641 20 10 CDCDLO C[N@H+]1CCC12CN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001276616963 940437695 /nfs/dbraw/zinc/43/76/95/940437695.db2.gz LQLKFGYIMKFZFS-UHFFFAOYSA-N 1 2 268.744 1.641 20 10 CDCDLO O=C1NC[C@]2(CCC[N@H+](Cc3c(O)ccc(F)c3F)C2)O1 ZINC001233335351 943549199 /nfs/dbraw/zinc/54/91/99/943549199.db2.gz RKJHSFMOLQCWHK-AWEZNQCLSA-N 1 2 298.289 1.745 20 10 CDCDLO CC(C)OC1C[NH+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486796 943595231 /nfs/dbraw/zinc/59/52/31/943595231.db2.gz CJTRPGNSZOEAAF-UHFFFAOYSA-N 1 2 253.298 1.413 20 10 CDCDLO Cc1cc(Br)c(O)c(C[NH+]2CC(CO)C2)c1 ZINC001236665588 944539512 /nfs/dbraw/zinc/53/95/12/944539512.db2.gz KYXRDMTYTKDHML-UHFFFAOYSA-N 1 2 286.169 1.887 20 10 CDCDLO CCc1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(O)c1 ZINC001236783311 944565966 /nfs/dbraw/zinc/56/59/66/944565966.db2.gz JYNHWOCSORGSKN-INIZCTEOSA-N 1 2 290.407 1.861 20 10 CDCDLO CCOc1cccc(C[NH2+][C@H](C)C(=O)OC)c1O ZINC000042304326 357063245 /nfs/dbraw/zinc/06/32/45/357063245.db2.gz XLMUSVGXPWMJSH-SECBINFHSA-N 1 2 253.298 1.442 20 10 CDCDLO CCOCCOC1C[NH+](Cc2cccc(OC)c2O)C1 ZINC000297308290 200142687 /nfs/dbraw/zinc/14/26/87/200142687.db2.gz BQMPUBDOPLDVNV-UHFFFAOYSA-N 1 2 281.352 1.638 20 10 CDCDLO COC(=O)COc1ccc(N(C)Cc2[nH+]ccn2C)cc1 ZINC000170594184 364144747 /nfs/dbraw/zinc/14/47/47/364144747.db2.gz HQKRUYZCMYQNRA-UHFFFAOYSA-N 1 2 289.335 1.608 20 10 CDCDLO CC[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCNC1=O ZINC000281722677 367679633 /nfs/dbraw/zinc/67/96/33/367679633.db2.gz IOHRAZKATOSOQT-LLVKDONJSA-N 1 2 268.744 1.756 20 10 CDCDLO CC[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCNC1=O ZINC000281722677 367679637 /nfs/dbraw/zinc/67/96/37/367679637.db2.gz IOHRAZKATOSOQT-LLVKDONJSA-N 1 2 268.744 1.756 20 10 CDCDLO C[C@@H]([NH2+]CCCOCCO)c1ccc(F)c(F)c1O ZINC000187910304 296124315 /nfs/dbraw/zinc/12/43/15/296124315.db2.gz ZHFRSTJKDZKMRS-SECBINFHSA-N 1 2 275.295 1.720 20 10 CDCDLO CN1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000271914837 371083494 /nfs/dbraw/zinc/08/34/94/371083494.db2.gz YODZNMINTJCBRT-SECBINFHSA-N 1 2 254.717 1.366 20 10 CDCDLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nccs2)CC1 ZINC000064660356 521666176 /nfs/dbraw/zinc/66/61/76/521666176.db2.gz YQLMJTHUYFOGIH-SNVBAGLBSA-N 1 2 285.438 1.788 20 10 CDCDLO CCOC(=O)[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000049368840 521024628 /nfs/dbraw/zinc/02/46/28/521024628.db2.gz NTVPVMXYEBDGET-SECBINFHSA-N 1 2 253.298 1.442 20 10 CDCDLO COc1c(O)c(C[NH2+]CC(F)(F)CO)ccc1[N+](=O)[O-] ZINC000278473387 521873689 /nfs/dbraw/zinc/87/36/89/521873689.db2.gz HWHSESUJPVNUAV-UHFFFAOYSA-N 1 2 292.238 1.026 20 10 CDCDLO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)CC[S@@]1=O ZINC000277418877 524292904 /nfs/dbraw/zinc/29/29/04/524292904.db2.gz ICHDTXOKDKNNGC-XTZNXHDOSA-N 1 2 271.357 1.874 20 10 CDCDLO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)CC[S@@]1=O ZINC000277418877 524292910 /nfs/dbraw/zinc/29/29/10/524292910.db2.gz ICHDTXOKDKNNGC-XTZNXHDOSA-N 1 2 271.357 1.874 20 10 CDCDLO OC[C@]1(F)CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000289856176 527626207 /nfs/dbraw/zinc/62/62/07/527626207.db2.gz QGYWWGUHGVLOJT-ZDUSSCGKSA-N 1 2 257.280 1.828 20 10 CDCDLO OC[C@]1(F)CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000289856176 527626214 /nfs/dbraw/zinc/62/62/14/527626214.db2.gz QGYWWGUHGVLOJT-ZDUSSCGKSA-N 1 2 257.280 1.828 20 10 CDCDLO C[C@H]([NH2+]C[C@H]1COCCO1)c1cc(F)cc(F)c1O ZINC000756433169 576990312 /nfs/dbraw/zinc/99/03/12/576990312.db2.gz AFYSJTDYSCALEC-WPRPVWTQSA-N 1 2 273.279 1.736 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1O ZINC000756524445 576993788 /nfs/dbraw/zinc/99/37/88/576993788.db2.gz FTMNVAOKHOWCDG-APPZFPTMSA-N 1 2 270.279 1.552 20 10 CDCDLO Oc1ccc(-c2csc([C@H]3COCC[NH2+]3)n2)cc1O ZINC000843289788 618144417 /nfs/dbraw/zinc/14/44/17/618144417.db2.gz AIHGNIWRFWQMER-SECBINFHSA-N 1 2 278.333 1.882 20 10 CDCDLO O=C(NCc1ccc(O)cc1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000910944124 629125325 /nfs/dbraw/zinc/12/53/25/629125325.db2.gz KVVCRQLNNVNQRK-SNVBAGLBSA-N 1 2 287.319 1.173 20 10 CDCDLO C[C@H](C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O)N(C)C ZINC001589956834 1173212317 /nfs/dbraw/zinc/21/23/17/1173212317.db2.gz DQTHWYVJNBNNID-NXEZZACHSA-N 1 2 290.371 1.173 20 10 CDCDLO CC[C@H](O)CC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604067150 1175746843 /nfs/dbraw/zinc/74/68/43/1175746843.db2.gz VCYMWRBYXJIHNE-UWVGGRQHSA-N 1 2 291.355 1.384 20 10 CDCDLO Oc1ccc(F)cc1C[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000848924692 828355535 /nfs/dbraw/zinc/35/55/35/828355535.db2.gz YDRJFLXITWPYLD-LBPRGKRZSA-N 1 2 292.314 1.791 20 10 CDCDLO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1O ZINC000846166208 828383513 /nfs/dbraw/zinc/38/35/13/828383513.db2.gz UIVJFVLBOBLSPN-NXEZZACHSA-N 1 2 276.340 1.941 20 10 CDCDLO COc1c(O)c(CNC[C@@H]2C[C@H](F)C[NH2+]2)ccc1[N+](=O)[O-] ZINC000841080766 822765202 /nfs/dbraw/zinc/76/52/02/822765202.db2.gz ZDVJTCWVMHBGNK-UWVGGRQHSA-N 1 2 299.302 1.099 20 10 CDCDLO CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(F)cc1O ZINC000796936124 826063141 /nfs/dbraw/zinc/06/31/41/826063141.db2.gz DSRVMCVTWIXOSM-UKRRQHHQSA-N 1 2 282.359 1.639 20 10 CDCDLO c1cc2c(cc1C[NH2+]Cc1nnnn1C1CC1)CCCO2 ZINC000921798551 826914260 /nfs/dbraw/zinc/91/42/60/826914260.db2.gz XTPZMZTYLXFCIT-UHFFFAOYSA-N 1 2 285.351 1.623 20 10 CDCDLO C[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715712150 827013488 /nfs/dbraw/zinc/01/34/88/827013488.db2.gz JADHDAFNGATVAU-ZCFIWIBFSA-N 1 2 278.121 1.764 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)C[N@H+](C)C(C)C ZINC000808094881 828241990 /nfs/dbraw/zinc/24/19/90/828241990.db2.gz IQFFWOLDKQVWQD-UHFFFAOYSA-N 1 2 285.384 1.834 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)C[N@@H+](C)C(C)C ZINC000808094881 828242005 /nfs/dbraw/zinc/24/20/05/828242005.db2.gz IQFFWOLDKQVWQD-UHFFFAOYSA-N 1 2 285.384 1.834 20 10 CDCDLO C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC000845834132 828244803 /nfs/dbraw/zinc/24/48/03/828244803.db2.gz LXIIDLHVQSZFQH-JTQLQIEISA-N 1 2 275.308 1.562 20 10 CDCDLO CC(=O)N(C)C1C[NH+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143928 899789129 /nfs/dbraw/zinc/78/91/29/899789129.db2.gz ODKPIZFZRHBMNG-UHFFFAOYSA-N 1 2 289.379 1.178 20 10 CDCDLO C[C@H]1CN(C2C[NH+](Cc3c(O)cccc3F)C2)C[C@H](C)O1 ZINC001137841442 936419938 /nfs/dbraw/zinc/41/99/38/936419938.db2.gz FDFKGWLZPRTNPB-RYUDHWBXSA-N 1 2 294.370 1.825 20 10 CDCDLO CCN1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141031770 936795992 /nfs/dbraw/zinc/79/59/92/936795992.db2.gz KMZQTIMKSXYUDG-UHFFFAOYSA-N 1 2 280.368 1.547 20 10 CDCDLO COCCc1noc(C[N@H+](C)Cc2ccc(N)cc2)n1 ZINC001120371392 937796286 /nfs/dbraw/zinc/79/62/86/937796286.db2.gz XPYIETYMDKSOEZ-UHFFFAOYSA-N 1 2 276.340 1.473 20 10 CDCDLO COCCc1noc(C[N@@H+](C)Cc2ccc(N)cc2)n1 ZINC001120371392 937796288 /nfs/dbraw/zinc/79/62/88/937796288.db2.gz XPYIETYMDKSOEZ-UHFFFAOYSA-N 1 2 276.340 1.473 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001203874849 939710322 /nfs/dbraw/zinc/71/03/22/939710322.db2.gz DHXXTECCNQWJGU-YWPYICTPSA-N 1 2 279.336 1.070 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001203874849 939710323 /nfs/dbraw/zinc/71/03/23/939710323.db2.gz DHXXTECCNQWJGU-YWPYICTPSA-N 1 2 279.336 1.070 20 10 CDCDLO CN(C)C(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000401638994 940874168 /nfs/dbraw/zinc/87/41/68/940874168.db2.gz FYMWKQIDWGMLAQ-UHFFFAOYSA-N 1 2 281.331 1.331 20 10 CDCDLO Nc1ccc(CC(=O)NCCOc2cc[nH+]cc2)cc1 ZINC001221393563 941528090 /nfs/dbraw/zinc/52/80/90/941528090.db2.gz HTDRQLGXEXZCSA-UHFFFAOYSA-N 1 2 271.320 1.402 20 10 CDCDLO Oc1cc(CN2CCn3c[nH+]cc3C2)cc(O)c1O ZINC001233017426 943464461 /nfs/dbraw/zinc/46/44/61/943464461.db2.gz UYVPMXNLQUZWEO-UHFFFAOYSA-N 1 2 261.281 1.016 20 10 CDCDLO OCCC[NH+]1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233332524 943546982 /nfs/dbraw/zinc/54/69/82/943546982.db2.gz OBGUMCJSSQMSMZ-UHFFFAOYSA-N 1 2 286.322 1.170 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCc2nccn2CC1 ZINC001233335938 943548349 /nfs/dbraw/zinc/54/83/49/943548349.db2.gz RSZQIDZPTGKVIG-UHFFFAOYSA-N 1 2 279.290 1.925 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCc2nccn2CC1 ZINC001233335938 943548352 /nfs/dbraw/zinc/54/83/52/943548352.db2.gz RSZQIDZPTGKVIG-UHFFFAOYSA-N 1 2 279.290 1.925 20 10 CDCDLO CN1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC1=O ZINC001233451701 943588346 /nfs/dbraw/zinc/58/83/46/943588346.db2.gz VUWXYXRGZYQRMT-UHFFFAOYSA-N 1 2 288.269 1.685 20 10 CDCDLO CN1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC1=O ZINC001233451701 943588349 /nfs/dbraw/zinc/58/83/49/943588349.db2.gz VUWXYXRGZYQRMT-UHFFFAOYSA-N 1 2 288.269 1.685 20 10 CDCDLO CC[N@H+](Cc1cc(O)c(O)cc1O)[C@@H](C)C(=O)OC ZINC001233487618 943595741 /nfs/dbraw/zinc/59/57/41/943595741.db2.gz LOSQZKZMICPMHT-QMMMGPOBSA-N 1 2 269.297 1.187 20 10 CDCDLO CC[N@@H+](Cc1cc(O)c(O)cc1O)[C@@H](C)C(=O)OC ZINC001233487618 943595743 /nfs/dbraw/zinc/59/57/43/943595743.db2.gz LOSQZKZMICPMHT-QMMMGPOBSA-N 1 2 269.297 1.187 20 10 CDCDLO COc1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(O)c1Cl ZINC001236801189 944574362 /nfs/dbraw/zinc/57/43/62/944574362.db2.gz HEUBWIYBIVEGGB-UWVGGRQHSA-N 1 2 289.734 1.959 20 10 CDCDLO COc1ccc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c(O)c1Cl ZINC001236801189 944574375 /nfs/dbraw/zinc/57/43/75/944574375.db2.gz HEUBWIYBIVEGGB-UWVGGRQHSA-N 1 2 289.734 1.959 20 10 CDCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCOC[C@H](O)C1 ZINC001237122351 944661599 /nfs/dbraw/zinc/66/15/99/944661599.db2.gz UHUJTMOEYCKGPM-MRVPVSSYSA-N 1 2 275.707 1.378 20 10 CDCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCOC[C@H](O)C1 ZINC001237122351 944661603 /nfs/dbraw/zinc/66/16/03/944661603.db2.gz UHUJTMOEYCKGPM-MRVPVSSYSA-N 1 2 275.707 1.378 20 10 CDCDLO Cc1cc(Cl)cc(C[NH+]2CCN(CCCO)CC2)c1O ZINC001237680834 944922396 /nfs/dbraw/zinc/92/23/96/944922396.db2.gz IQGHUSZCEHMCGR-UHFFFAOYSA-N 1 2 298.814 1.854 20 10 CDCDLO CCc1nnc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)o1 ZINC001255144995 947749760 /nfs/dbraw/zinc/74/97/60/947749760.db2.gz RXTCZMZXLYPVOR-UHFFFAOYSA-N 1 2 289.335 1.837 20 10 CDCDLO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CF)c(O)c1 ZINC001249171477 949433924 /nfs/dbraw/zinc/43/39/24/949433924.db2.gz CDRCGSZBHMFWSH-STQMWFEESA-N 1 2 299.317 1.990 20 10 CDCDLO COC(=O)Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CF)c(O)c1 ZINC001249171477 949433933 /nfs/dbraw/zinc/43/39/33/949433933.db2.gz CDRCGSZBHMFWSH-STQMWFEESA-N 1 2 299.317 1.990 20 10 CDCDLO O=C(c1c(F)ccc(O)c1O)N1CC(n2cc[nH+]c2)C1 ZINC001306584941 956323411 /nfs/dbraw/zinc/32/34/11/956323411.db2.gz BSBSVQTZLIFHMR-UHFFFAOYSA-N 1 2 277.255 1.131 20 10 CDCDLO O=C1OC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC001308889950 956596641 /nfs/dbraw/zinc/59/66/41/956596641.db2.gz XDBWFZSAASBEJP-UWVGGRQHSA-N 1 2 267.712 1.650 20 10 CDCDLO O=C1OC[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC001308889950 956596648 /nfs/dbraw/zinc/59/66/48/956596648.db2.gz XDBWFZSAASBEJP-UWVGGRQHSA-N 1 2 267.712 1.650 20 10 CDCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N)cc1 ZINC001356228855 969361479 /nfs/dbraw/zinc/36/14/79/969361479.db2.gz WGSUWDOARYFRKD-JTQLQIEISA-N 1 2 258.325 1.487 20 10 CDCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N)cc1 ZINC001356228855 969361483 /nfs/dbraw/zinc/36/14/83/969361483.db2.gz WGSUWDOARYFRKD-JTQLQIEISA-N 1 2 258.325 1.487 20 10 CDCDLO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc(C(=O)[O-])ccc1O ZINC001593286441 994645066 /nfs/dbraw/zinc/64/50/66/994645066.db2.gz SVHNHXBYNFAEAL-JQWIXIFHSA-N 1 2 278.352 1.835 20 10 CDCDLO C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc(C(=O)[O-])ccc1O ZINC001593286441 994645068 /nfs/dbraw/zinc/64/50/68/994645068.db2.gz SVHNHXBYNFAEAL-JQWIXIFHSA-N 1 2 278.352 1.835 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H](O)Cc2ccccc21 ZINC000492870955 366184180 /nfs/dbraw/zinc/18/41/80/366184180.db2.gz WQZJPTQCHHZBLQ-SZZPACECSA-N 1 2 269.304 1.373 20 10 CDCDLO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273378342 365491043 /nfs/dbraw/zinc/49/10/43/365491043.db2.gz HTRMRGKYHNBKHC-CABZTGNLSA-N 1 2 293.323 1.620 20 10 CDCDLO COC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)OC ZINC000227717427 392047244 /nfs/dbraw/zinc/04/72/44/392047244.db2.gz DTCDMDPXHRTDIX-SNVBAGLBSA-N 1 2 259.733 1.797 20 10 CDCDLO CCN(C)C(=O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000274825336 520174926 /nfs/dbraw/zinc/17/49/26/520174926.db2.gz ZPBHYSUPHOSHIO-SECBINFHSA-N 1 2 281.312 1.429 20 10 CDCDLO COc1c(O)c(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000278330733 521872469 /nfs/dbraw/zinc/87/24/69/521872469.db2.gz ZHUDXDZAEJVZMO-UHFFFAOYSA-N 1 2 268.269 1.141 20 10 CDCDLO Cc1cccc(C[N@@H+]2CCn3cnnc3[C@H]2C)c1O ZINC000276844757 524406201 /nfs/dbraw/zinc/40/62/01/524406201.db2.gz TWMDWOXFIGTHAQ-LLVKDONJSA-N 1 2 258.325 1.869 20 10 CDCDLO Cc1cccc(C[N@H+]2CCn3cnnc3[C@H]2C)c1O ZINC000276844757 524406208 /nfs/dbraw/zinc/40/62/08/524406208.db2.gz TWMDWOXFIGTHAQ-LLVKDONJSA-N 1 2 258.325 1.869 20 10 CDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1=CC(=O)CS1 ZINC000732268757 575085205 /nfs/dbraw/zinc/08/52/05/575085205.db2.gz BIMSGTOXOIPJEE-MRVPVSSYSA-N 1 2 251.311 1.469 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000773810398 575839366 /nfs/dbraw/zinc/83/93/66/575839366.db2.gz CBLBQYIGADFYMF-CQSZACIVSA-N 1 2 293.436 1.545 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000773810398 575839367 /nfs/dbraw/zinc/83/93/67/575839367.db2.gz CBLBQYIGADFYMF-CQSZACIVSA-N 1 2 293.436 1.545 20 10 CDCDLO O=C1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCN1 ZINC000768159418 576261456 /nfs/dbraw/zinc/26/14/56/576261456.db2.gz DVFRDBBLHREBRQ-UHFFFAOYSA-N 1 2 282.343 1.991 20 10 CDCDLO O=C1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CCN1 ZINC000768159418 576261460 /nfs/dbraw/zinc/26/14/60/576261460.db2.gz DVFRDBBLHREBRQ-UHFFFAOYSA-N 1 2 282.343 1.991 20 10 CDCDLO COC(=O)C[N@H+](Cc1cc(OC)c(C)cc1O)C1CC1 ZINC000768465283 576287205 /nfs/dbraw/zinc/28/72/05/576287205.db2.gz ZFKRQWGBKRILAQ-UHFFFAOYSA-N 1 2 279.336 1.847 20 10 CDCDLO COC(=O)C[N@@H+](Cc1cc(OC)c(C)cc1O)C1CC1 ZINC000768465283 576287207 /nfs/dbraw/zinc/28/72/07/576287207.db2.gz ZFKRQWGBKRILAQ-UHFFFAOYSA-N 1 2 279.336 1.847 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](C(=O)OC)C2)c1 ZINC000769333922 576347144 /nfs/dbraw/zinc/34/71/44/576347144.db2.gz WGDCPMFXIOYQIF-AWEZNQCLSA-N 1 2 295.335 1.165 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](C(=O)OC)C2)c1 ZINC000769333922 576347145 /nfs/dbraw/zinc/34/71/45/576347145.db2.gz WGDCPMFXIOYQIF-AWEZNQCLSA-N 1 2 295.335 1.165 20 10 CDCDLO COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756577937 576996663 /nfs/dbraw/zinc/99/66/63/576996663.db2.gz SWXSDTZMAUIPGP-ISVAXAHUSA-N 1 2 275.295 1.718 20 10 CDCDLO CCOC(=O)C[N@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC000891782606 617586277 /nfs/dbraw/zinc/58/62/77/617586277.db2.gz VYKFOZXUCDVWJP-UHFFFAOYSA-N 1 2 297.351 1.794 20 10 CDCDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC000891782606 617586281 /nfs/dbraw/zinc/58/62/81/617586281.db2.gz VYKFOZXUCDVWJP-UHFFFAOYSA-N 1 2 297.351 1.794 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CC[C@@H]1O ZINC000840975636 617970530 /nfs/dbraw/zinc/97/05/30/617970530.db2.gz PMCOQUXYTNTMIQ-SKDRFNHKSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[C@@H]1O ZINC000840975636 617970533 /nfs/dbraw/zinc/97/05/33/617970533.db2.gz PMCOQUXYTNTMIQ-SKDRFNHKSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000894535467 618946941 /nfs/dbraw/zinc/94/69/41/618946941.db2.gz UCOAGYDVHWYMIJ-RNCFNFMXSA-N 1 2 255.264 1.485 20 10 CDCDLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000894535467 618946943 /nfs/dbraw/zinc/94/69/43/618946943.db2.gz UCOAGYDVHWYMIJ-RNCFNFMXSA-N 1 2 255.264 1.485 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1COCO1 ZINC000894876681 619114630 /nfs/dbraw/zinc/11/46/30/619114630.db2.gz TUIIBULOZVGNEX-VIFPVBQESA-N 1 2 261.680 1.647 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](OC)C2)c1O ZINC000895963917 619924405 /nfs/dbraw/zinc/92/44/05/619924405.db2.gz SBZKVYOHVLTDON-CYBMUJFWSA-N 1 2 267.325 1.514 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CCO[C@@H](OC)C2)c1O ZINC000895963917 619924413 /nfs/dbraw/zinc/92/44/13/619924413.db2.gz SBZKVYOHVLTDON-CYBMUJFWSA-N 1 2 267.325 1.514 20 10 CDCDLO C[C@H]([NH2+]CCCF)c1cccc(-c2nn[nH]n2)c1O ZINC001589960877 1173213081 /nfs/dbraw/zinc/21/30/81/1173213081.db2.gz JOHBRNYXJBLUSE-QMMMGPOBSA-N 1 2 265.292 1.583 20 10 CDCDLO CCn1cnnc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708494461 828821266 /nfs/dbraw/zinc/82/12/66/828821266.db2.gz KLKWUWAFVWXOOY-UHFFFAOYSA-N 1 2 268.267 1.572 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1c(O)cccc1F ZINC000886592480 829642643 /nfs/dbraw/zinc/64/26/43/829642643.db2.gz VHDSXHQKWBMFIT-SECBINFHSA-N 1 2 291.330 1.779 20 10 CDCDLO COc1c(O)c(C[NH+]2CC(O)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000839132613 833841067 /nfs/dbraw/zinc/84/10/67/833841067.db2.gz DXPHBRYOMIIKEX-UHFFFAOYSA-N 1 2 296.323 1.512 20 10 CDCDLO CN(C)c1noc(C[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000789556996 833844466 /nfs/dbraw/zinc/84/44/66/833844466.db2.gz WZHSQQKYRYCSHF-UHFFFAOYSA-N 1 2 275.356 1.491 20 10 CDCDLO COC(=O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000387311175 833746889 /nfs/dbraw/zinc/74/68/89/833746889.db2.gz LFYAWUWVELBYPU-UHFFFAOYSA-N 1 2 294.307 1.005 20 10 CDCDLO OCC1(CO)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000877798020 833853236 /nfs/dbraw/zinc/85/32/36/833853236.db2.gz FXZLZEQTBPTJID-UHFFFAOYSA-N 1 2 285.771 1.612 20 10 CDCDLO COc1ccc(C[NH2+]Cc2nc(C(N)=O)cs2)cc1C ZINC000850384947 834046306 /nfs/dbraw/zinc/04/63/06/834046306.db2.gz UVRSCVVSQJVXDZ-UHFFFAOYSA-N 1 2 291.376 1.849 20 10 CDCDLO CC[C@@H]([NH2+]Cc1nnn(C)n1)c1ccc(C)cc1O ZINC000794829669 834844757 /nfs/dbraw/zinc/84/47/57/834844757.db2.gz VUUFLYRZTBZKKV-LLVKDONJSA-N 1 2 261.329 1.465 20 10 CDCDLO NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975428 834942773 /nfs/dbraw/zinc/94/27/73/834942773.db2.gz HOYYYQMTYFPDPF-UHFFFAOYSA-N 1 2 260.293 1.473 20 10 CDCDLO NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975428 834942813 /nfs/dbraw/zinc/94/28/13/834942813.db2.gz HOYYYQMTYFPDPF-UHFFFAOYSA-N 1 2 260.293 1.473 20 10 CDCDLO CS(=O)(=O)C1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137837823 936419684 /nfs/dbraw/zinc/41/96/84/936419684.db2.gz WACJUKFCRFKJJY-UHFFFAOYSA-N 1 2 287.356 1.540 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CCN(c2cncnc2)CC1 ZINC001138129458 936476205 /nfs/dbraw/zinc/47/62/05/936476205.db2.gz DUDISFBBIPNCCQ-UHFFFAOYSA-N 1 2 288.326 1.644 20 10 CDCDLO CC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138358809 936526139 /nfs/dbraw/zinc/52/61/39/936526139.db2.gz CEMSWXWSLDNCKG-KRWDZBQOSA-N 1 2 288.391 1.859 20 10 CDCDLO CC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138358809 936526141 /nfs/dbraw/zinc/52/61/41/936526141.db2.gz CEMSWXWSLDNCKG-KRWDZBQOSA-N 1 2 288.391 1.859 20 10 CDCDLO O=C1COC[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CCN12 ZINC001140342032 936703275 /nfs/dbraw/zinc/70/32/75/936703275.db2.gz PDEVIDKIUCWCFJ-JTQLQIEISA-N 1 2 296.754 1.089 20 10 CDCDLO O=C1COC[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCN12 ZINC001140342032 936703277 /nfs/dbraw/zinc/70/32/77/936703277.db2.gz PDEVIDKIUCWCFJ-JTQLQIEISA-N 1 2 296.754 1.089 20 10 CDCDLO C[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC(=O)N1 ZINC001141074262 936808796 /nfs/dbraw/zinc/80/87/96/936808796.db2.gz DITMAJWBCBURAX-ZDUSSCGKSA-N 1 2 299.418 1.706 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC(=O)N1 ZINC001141074262 936808798 /nfs/dbraw/zinc/80/87/98/936808798.db2.gz DITMAJWBCBURAX-ZDUSSCGKSA-N 1 2 299.418 1.706 20 10 CDCDLO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCC1=O ZINC001141140397 936818543 /nfs/dbraw/zinc/81/85/43/936818543.db2.gz LNHQHADWVVTUDD-LBPRGKRZSA-N 1 2 274.364 1.926 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)CCC1=O ZINC001141140397 936818545 /nfs/dbraw/zinc/81/85/45/936818545.db2.gz LNHQHADWVVTUDD-LBPRGKRZSA-N 1 2 274.364 1.926 20 10 CDCDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141163207 936823787 /nfs/dbraw/zinc/82/37/87/936823787.db2.gz UWTCZXLOJCFOLF-LBPRGKRZSA-N 1 2 295.335 1.252 20 10 CDCDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1cc(O)ccc1O ZINC001141163207 936823789 /nfs/dbraw/zinc/82/37/89/936823789.db2.gz UWTCZXLOJCFOLF-LBPRGKRZSA-N 1 2 295.335 1.252 20 10 CDCDLO CC(C)[NH+]1CC(NC(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001193236744 923556648 /nfs/dbraw/zinc/55/66/48/923556648.db2.gz PMNJGZCULKZNCP-UHFFFAOYSA-N 1 2 284.743 1.574 20 10 CDCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCNC1=O ZINC000775744520 924986965 /nfs/dbraw/zinc/98/69/65/924986965.db2.gz NLWYQTWHQNRDTA-SNVBAGLBSA-N 1 2 272.707 1.505 20 10 CDCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCNC1=O ZINC000775744520 924986967 /nfs/dbraw/zinc/98/69/67/924986967.db2.gz NLWYQTWHQNRDTA-SNVBAGLBSA-N 1 2 272.707 1.505 20 10 CDCDLO Cn1cc2c(n1)CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203879788 925161104 /nfs/dbraw/zinc/16/11/04/925161104.db2.gz IWORTSVNFPJRMN-UHFFFAOYSA-N 1 2 259.309 1.390 20 10 CDCDLO Cn1cc2c(n1)CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203879788 925161106 /nfs/dbraw/zinc/16/11/06/925161106.db2.gz IWORTSVNFPJRMN-UHFFFAOYSA-N 1 2 259.309 1.390 20 10 CDCDLO C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(O)cc2O)C1 ZINC001205807311 925164864 /nfs/dbraw/zinc/16/48/64/925164864.db2.gz ZQEQQMVEPUBYQH-ZYHUDNBSSA-N 1 2 250.342 1.657 20 10 CDCDLO C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001205807311 925164869 /nfs/dbraw/zinc/16/48/69/925164869.db2.gz ZQEQQMVEPUBYQH-ZYHUDNBSSA-N 1 2 250.342 1.657 20 10 CDCDLO C[C@]1(CO)CC(F)(F)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144504655 931865328 /nfs/dbraw/zinc/86/53/28/931865328.db2.gz YROQNKQYSKXKRB-GFCCVEGCSA-N 1 2 289.278 1.395 20 10 CDCDLO C[C@]1(CO)CC(F)(F)C[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144504655 931865331 /nfs/dbraw/zinc/86/53/31/931865331.db2.gz YROQNKQYSKXKRB-GFCCVEGCSA-N 1 2 289.278 1.395 20 10 CDCDLO C[NH+](C)CCN1CC2(C1)CN(Cc1c(O)cccc1F)C2 ZINC001276359704 935049746 /nfs/dbraw/zinc/04/97/46/935049746.db2.gz KVHZDOFCYHYVNO-UHFFFAOYSA-N 1 2 293.386 1.211 20 10 CDCDLO COC(=O)CC1C[NH+](Cc2ccc(O)c(O)c2)C1 ZINC001203882520 939711475 /nfs/dbraw/zinc/71/14/75/939711475.db2.gz KFAGIGWOKIPQDZ-UHFFFAOYSA-N 1 2 251.282 1.093 20 10 CDCDLO C[C@H]1CC[C@@H](CN)[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829993 939942664 /nfs/dbraw/zinc/94/26/64/939942664.db2.gz QLFGAQCTYPFWAY-UWVGGRQHSA-N 1 2 266.341 1.363 20 10 CDCDLO C[C@H]1CC[C@@H](CN)[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829993 939942666 /nfs/dbraw/zinc/94/26/66/939942666.db2.gz QLFGAQCTYPFWAY-UWVGGRQHSA-N 1 2 266.341 1.363 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232260865 943192303 /nfs/dbraw/zinc/19/23/03/943192303.db2.gz SFRUYRLNMMKIMG-BDAKNGLRSA-N 1 2 275.707 1.656 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232260865 943192308 /nfs/dbraw/zinc/19/23/08/943192308.db2.gz SFRUYRLNMMKIMG-BDAKNGLRSA-N 1 2 275.707 1.656 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CCC1(F)F ZINC001233010157 943460365 /nfs/dbraw/zinc/46/03/65/943460365.db2.gz MBVGZAQZPAEAHD-SECBINFHSA-N 1 2 289.278 1.253 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)CCC1(F)F ZINC001233010157 943460367 /nfs/dbraw/zinc/46/03/67/943460367.db2.gz MBVGZAQZPAEAHD-SECBINFHSA-N 1 2 289.278 1.253 20 10 CDCDLO Oc1cc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cc(O)c1O ZINC001233016657 943464890 /nfs/dbraw/zinc/46/48/90/943464890.db2.gz INPOIOMMZQNSKJ-JTQLQIEISA-N 1 2 282.315 1.031 20 10 CDCDLO Oc1cc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cc(O)c1O ZINC001233016657 943464893 /nfs/dbraw/zinc/46/48/93/943464893.db2.gz INPOIOMMZQNSKJ-JTQLQIEISA-N 1 2 282.315 1.031 20 10 CDCDLO CN(C)C(=O)C1C[NH+](Cc2ccc(F)c(F)c2O)C1 ZINC001233077638 943486794 /nfs/dbraw/zinc/48/67/94/943486794.db2.gz UVHLGIJVMXOHLF-UHFFFAOYSA-N 1 2 270.279 1.190 20 10 CDCDLO Oc1cc(O)c(CN2CCn3c[nH+]cc3C2)cc1O ZINC001233485915 943594001 /nfs/dbraw/zinc/59/40/01/943594001.db2.gz QCULCSMCOOAXGU-UHFFFAOYSA-N 1 2 261.281 1.016 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cc1OC ZINC001236754949 944557336 /nfs/dbraw/zinc/55/73/36/944557336.db2.gz BVQGXLPQSKEZTM-VXGBXAGGSA-N 1 2 279.336 1.773 20 10 CDCDLO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cc1OC ZINC001236754949 944557342 /nfs/dbraw/zinc/55/73/42/944557342.db2.gz BVQGXLPQSKEZTM-VXGBXAGGSA-N 1 2 279.336 1.773 20 10 CDCDLO CN1CC[N@H+](Cc2cc(F)c(Cl)cc2O)CCC1=O ZINC001237936677 945011914 /nfs/dbraw/zinc/01/19/14/945011914.db2.gz LHEXNPRVPHOBDJ-UHFFFAOYSA-N 1 2 286.734 1.849 20 10 CDCDLO CN1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)CCC1=O ZINC001237936677 945011925 /nfs/dbraw/zinc/01/19/25/945011925.db2.gz LHEXNPRVPHOBDJ-UHFFFAOYSA-N 1 2 286.734 1.849 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238068889 945047556 /nfs/dbraw/zinc/04/75/56/945047556.db2.gz GQSBOVCPNKTDAG-ZDUSSCGKSA-N 1 2 297.326 1.604 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc(F)cc(C)c1O ZINC001238068889 945047565 /nfs/dbraw/zinc/04/75/65/945047565.db2.gz GQSBOVCPNKTDAG-ZDUSSCGKSA-N 1 2 297.326 1.604 20 10 CDCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001335289580 959685225 /nfs/dbraw/zinc/68/52/25/959685225.db2.gz PATGALVOQDQYPM-ZIAGYGMSSA-N 1 2 278.352 1.421 20 10 CDCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N)cc1 ZINC001335289580 959685241 /nfs/dbraw/zinc/68/52/41/959685241.db2.gz PATGALVOQDQYPM-ZIAGYGMSSA-N 1 2 278.352 1.421 20 10 CDCDLO C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001598665810 994674367 /nfs/dbraw/zinc/67/43/67/994674367.db2.gz CFABVDUILUUYDH-RKDXNWHRSA-N 1 2 252.314 1.349 20 10 CDCDLO Cc1cc(Cl)cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1O ZINC000295134400 199364244 /nfs/dbraw/zinc/36/42/44/199364244.db2.gz YXVASPGQSYISEV-VIFPVBQESA-N 1 2 268.744 1.674 20 10 CDCDLO Cc1cc(Cl)cc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1O ZINC000295134400 199364247 /nfs/dbraw/zinc/36/42/47/199364247.db2.gz YXVASPGQSYISEV-VIFPVBQESA-N 1 2 268.744 1.674 20 10 CDCDLO CN(C)c1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC000072905212 349139770 /nfs/dbraw/zinc/13/97/70/349139770.db2.gz VNLFPRFWXNHNTB-UHFFFAOYSA-N 1 2 272.352 1.656 20 10 CDCDLO Cc1ccc2c(n1)OCCN2C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904630 366185076 /nfs/dbraw/zinc/18/50/76/366185076.db2.gz XFDDNHGUQGUDOC-HYXAFXHYSA-N 1 2 270.292 1.552 20 10 CDCDLO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(F)c(F)c1O ZINC000276979736 299294895 /nfs/dbraw/zinc/29/48/95/299294895.db2.gz VQNFWVRBPKZGDQ-QMMMGPOBSA-N 1 2 293.335 1.756 20 10 CDCDLO Oc1ccc(Br)cc1C[NH+]1CC(O)C1 ZINC000297516020 200215629 /nfs/dbraw/zinc/21/56/29/200215629.db2.gz WIMNZMJJUGUSOE-UHFFFAOYSA-N 1 2 258.115 1.331 20 10 CDCDLO CCOc1cccc(C[N@H+](C)CCS(C)(=O)=O)c1O ZINC000156087067 361715254 /nfs/dbraw/zinc/71/52/54/361715254.db2.gz YVNVFVWMTYAJBD-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO CCOc1cccc(C[N@@H+](C)CCS(C)(=O)=O)c1O ZINC000156087067 361715256 /nfs/dbraw/zinc/71/52/56/361715256.db2.gz YVNVFVWMTYAJBD-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273378346 365491224 /nfs/dbraw/zinc/49/12/24/365491224.db2.gz HTRMRGKYHNBKHC-SKDRFNHKSA-N 1 2 293.323 1.620 20 10 CDCDLO OCCC[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1O ZINC000093323992 390901924 /nfs/dbraw/zinc/90/19/24/390901924.db2.gz FAWHAEYXVUAJSE-UHFFFAOYSA-N 1 2 294.178 1.876 20 10 CDCDLO OCCC[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1O ZINC000093323992 390901925 /nfs/dbraw/zinc/90/19/25/390901925.db2.gz FAWHAEYXVUAJSE-UHFFFAOYSA-N 1 2 294.178 1.876 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1ccccc1O ZINC000179575330 391211410 /nfs/dbraw/zinc/21/14/10/391211410.db2.gz MSTWGVPKPIBZGR-UHFFFAOYSA-N 1 2 253.298 1.014 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1ccccc1O ZINC000179575330 391211413 /nfs/dbraw/zinc/21/14/13/391211413.db2.gz MSTWGVPKPIBZGR-UHFFFAOYSA-N 1 2 253.298 1.014 20 10 CDCDLO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191187778 391324963 /nfs/dbraw/zinc/32/49/63/391324963.db2.gz PWWPRRPSCDNCTF-MRVPVSSYSA-N 1 2 272.295 1.846 20 10 CDCDLO COC(=O)[C@@H]([NH2+]Cc1cc(OC)ccc1O)C1CC1 ZINC000276469197 328218593 /nfs/dbraw/zinc/21/85/93/328218593.db2.gz MOAFEFDRCUTJFJ-ZDUSSCGKSA-N 1 2 265.309 1.442 20 10 CDCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000188612065 329371300 /nfs/dbraw/zinc/37/13/00/329371300.db2.gz UOECOFYSRYGQQA-WDEREUQCSA-N 1 2 285.727 1.154 20 10 CDCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000188612065 329371302 /nfs/dbraw/zinc/37/13/02/329371302.db2.gz UOECOFYSRYGQQA-WDEREUQCSA-N 1 2 285.727 1.154 20 10 CDCDLO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364920510 526686578 /nfs/dbraw/zinc/68/65/78/526686578.db2.gz ZERSGVMZWZDYAH-NSHDSACASA-N 1 2 287.319 1.173 20 10 CDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000769468119 576356572 /nfs/dbraw/zinc/35/65/72/576356572.db2.gz WMJGGLWDOCKXON-CYBMUJFWSA-N 1 2 295.335 1.165 20 10 CDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(OC)c2O)CCO1 ZINC000769468119 576356573 /nfs/dbraw/zinc/35/65/73/576356573.db2.gz WMJGGLWDOCKXON-CYBMUJFWSA-N 1 2 295.335 1.165 20 10 CDCDLO CN1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2O)C1=O ZINC000748242830 576902735 /nfs/dbraw/zinc/90/27/35/576902735.db2.gz SBJNPWFOYHVADP-LLVKDONJSA-N 1 2 279.296 1.011 20 10 CDCDLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(F)cc1O ZINC000756732865 577002208 /nfs/dbraw/zinc/00/22/08/577002208.db2.gz NPZNUNSAPORFAR-QMMMGPOBSA-N 1 2 277.303 1.704 20 10 CDCDLO O=C(NCc1ccccc1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000750924462 577016748 /nfs/dbraw/zinc/01/67/48/577016748.db2.gz SKWMYSRNPZDTDK-LLVKDONJSA-N 1 2 271.320 1.468 20 10 CDCDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cnn(C)n1 ZINC000924862035 618397517 /nfs/dbraw/zinc/39/75/17/618397517.db2.gz OPPSTWWDICPUSW-SNVBAGLBSA-N 1 2 277.347 1.871 20 10 CDCDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)C[C@@H]21 ZINC000894842164 619091886 /nfs/dbraw/zinc/09/18/86/619091886.db2.gz QRJCBQUALAEFPF-IAZYJMLFSA-N 1 2 283.274 1.521 20 10 CDCDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3O)C[C@@H]21 ZINC000894842164 619091888 /nfs/dbraw/zinc/09/18/88/619091888.db2.gz QRJCBQUALAEFPF-IAZYJMLFSA-N 1 2 283.274 1.521 20 10 CDCDLO Cc1cccc(C[N@H+](C)Cc2nnc3c(=O)[nH]ccn23)c1O ZINC000895623158 619766186 /nfs/dbraw/zinc/76/61/86/619766186.db2.gz OQCMVGDUTUMZQD-UHFFFAOYSA-N 1 2 299.334 1.064 20 10 CDCDLO Cc1cccc(C[N@@H+](C)Cc2nnc3c(=O)[nH]ccn23)c1O ZINC000895623158 619766188 /nfs/dbraw/zinc/76/61/88/619766188.db2.gz OQCMVGDUTUMZQD-UHFFFAOYSA-N 1 2 299.334 1.064 20 10 CDCDLO C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001609774840 1165075482 /nfs/dbraw/zinc/07/54/82/1165075482.db2.gz CFBAXJIAAHVVHV-KWBADKCTSA-N 1 2 278.352 1.739 20 10 CDCDLO OC[C@@]12C[C@@H]1C[N@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC000792180838 837742603 /nfs/dbraw/zinc/74/26/03/837742603.db2.gz VHXTZQKAXRPFHV-OQPBUACISA-N 1 2 271.719 1.999 20 10 CDCDLO COC(=O)N1CC([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790978138 835803598 /nfs/dbraw/zinc/80/35/98/835803598.db2.gz YZZTTWIYKKZUHI-UHFFFAOYSA-N 1 2 288.706 1.725 20 10 CDCDLO CNC(=O)N1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824870837 836897388 /nfs/dbraw/zinc/89/73/88/836897388.db2.gz XRCXLTBZGHQHCO-UHFFFAOYSA-N 1 2 297.786 1.811 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817940107 839650996 /nfs/dbraw/zinc/65/09/96/839650996.db2.gz FAVFDHZNFGVJTQ-ZJUUUORDSA-N 1 2 265.313 1.703 20 10 CDCDLO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000825067715 841113577 /nfs/dbraw/zinc/11/35/77/841113577.db2.gz DWWCWMXXCLRGTP-SSDOTTSWSA-N 1 2 274.723 1.799 20 10 CDCDLO NC(=O)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000809784951 841274683 /nfs/dbraw/zinc/27/46/83/841274683.db2.gz MPDQQQPFMCPKHL-QMMMGPOBSA-N 1 2 286.734 1.882 20 10 CDCDLO NC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000809784951 841274692 /nfs/dbraw/zinc/27/46/92/841274692.db2.gz MPDQQQPFMCPKHL-QMMMGPOBSA-N 1 2 286.734 1.882 20 10 CDCDLO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nnn(C)n2)c(O)c1 ZINC000788797149 842257808 /nfs/dbraw/zinc/25/78/08/842257808.db2.gz WSKSCGUOFHCXAC-SNVBAGLBSA-N 1 2 261.329 1.383 20 10 CDCDLO Nc1nccnc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001140012381 894534129 /nfs/dbraw/zinc/53/41/29/894534129.db2.gz NQWGEDOLRFEKHP-UHFFFAOYSA-N 1 2 286.335 1.418 20 10 CDCDLO Nc1nccnc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001140012381 894534139 /nfs/dbraw/zinc/53/41/39/894534139.db2.gz NQWGEDOLRFEKHP-UHFFFAOYSA-N 1 2 286.335 1.418 20 10 CDCDLO C[NH+](C)C1(C)CN(Cc2c(O)cc(F)cc2F)C1 ZINC001140583573 936727952 /nfs/dbraw/zinc/72/79/52/936727952.db2.gz LRIXFUFCSQEQLF-UHFFFAOYSA-N 1 2 256.296 1.806 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+]2CCNC(=O)C2)c(O)c1 ZINC001140851276 936764218 /nfs/dbraw/zinc/76/42/18/936764218.db2.gz FPPZGWJTPVBLMM-UHFFFAOYSA-N 1 2 277.368 1.170 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+]2CCNC(=O)C2)c(O)c1 ZINC001140851276 936764219 /nfs/dbraw/zinc/76/42/19/936764219.db2.gz FPPZGWJTPVBLMM-UHFFFAOYSA-N 1 2 277.368 1.170 20 10 CDCDLO Cc1cc(O)c(C[NH+]2CCS(=O)CC2)cc1C ZINC000118947683 929416304 /nfs/dbraw/zinc/41/63/04/929416304.db2.gz QQWZJQNHEGOLMV-UHFFFAOYSA-N 1 2 253.367 1.573 20 10 CDCDLO CCOc1cccc(CN2CCC(F)(F)[C@H]([NH3+])C2)c1O ZINC001206654761 937653703 /nfs/dbraw/zinc/65/37/03/937653703.db2.gz DAYFOVICOVEOGQ-GFCCVEGCSA-N 1 2 286.322 1.959 20 10 CDCDLO O=C(NCc1c(O)cccc1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001156885250 938429058 /nfs/dbraw/zinc/42/90/58/938429058.db2.gz AWRNCGVIKGAFJL-SNVBAGLBSA-N 1 2 287.319 1.173 20 10 CDCDLO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(Cl)ccc1O ZINC001203664288 939700384 /nfs/dbraw/zinc/70/03/84/939700384.db2.gz WDURLMQFTZUZDP-RYUDHWBXSA-N 1 2 252.745 1.934 20 10 CDCDLO CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(Cl)ccc1O ZINC001203664288 939700385 /nfs/dbraw/zinc/70/03/85/939700385.db2.gz WDURLMQFTZUZDP-RYUDHWBXSA-N 1 2 252.745 1.934 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCCNC(=O)C1 ZINC001231848604 943028586 /nfs/dbraw/zinc/02/85/86/943028586.db2.gz INZAUICFZCAWGE-UHFFFAOYSA-N 1 2 277.368 1.083 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCCNC(=O)C1 ZINC001231848604 943028591 /nfs/dbraw/zinc/02/85/91/943028591.db2.gz INZAUICFZCAWGE-UHFFFAOYSA-N 1 2 277.368 1.083 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231849528 943028719 /nfs/dbraw/zinc/02/87/19/943028719.db2.gz VFSZZUBUMXOTHF-AWEZNQCLSA-N 1 2 292.379 1.899 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231849528 943028721 /nfs/dbraw/zinc/02/87/21/943028721.db2.gz VFSZZUBUMXOTHF-AWEZNQCLSA-N 1 2 292.379 1.899 20 10 CDCDLO Oc1c(Cl)cccc1C[NH+]1CCN(C2COC2)CC1 ZINC001231909266 943049987 /nfs/dbraw/zinc/04/99/87/943049987.db2.gz FHLAXEIFNXGNKQ-UHFFFAOYSA-N 1 2 282.771 1.562 20 10 CDCDLO OC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC001231910984 943050664 /nfs/dbraw/zinc/05/06/64/943050664.db2.gz XOOTZAWVPFMKFT-CMPLNLGQSA-N 1 2 271.744 1.221 20 10 CDCDLO OC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC001231910984 943050673 /nfs/dbraw/zinc/05/06/73/943050673.db2.gz XOOTZAWVPFMKFT-CMPLNLGQSA-N 1 2 271.744 1.221 20 10 CDCDLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336020 943548753 /nfs/dbraw/zinc/54/87/53/943548753.db2.gz VLHJXQGBOUWKIO-SNVBAGLBSA-N 1 2 284.306 1.723 20 10 CDCDLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336020 943548756 /nfs/dbraw/zinc/54/87/56/943548756.db2.gz VLHJXQGBOUWKIO-SNVBAGLBSA-N 1 2 284.306 1.723 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@H](F)CC2)cc1OC ZINC001236750286 944558636 /nfs/dbraw/zinc/55/86/36/944558636.db2.gz QRINDPSMXJCDNW-LLVKDONJSA-N 1 2 297.326 1.912 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@H](F)CC2)cc1OC ZINC001236750286 944558645 /nfs/dbraw/zinc/55/86/45/944558645.db2.gz QRINDPSMXJCDNW-LLVKDONJSA-N 1 2 297.326 1.912 20 10 CDCDLO COc1cc(C)c(C[NH+]2CC(N(C)C)C2)c(O)c1 ZINC001236819687 944581579 /nfs/dbraw/zinc/58/15/79/944581579.db2.gz ZGLKTCJTRRLZEB-UHFFFAOYSA-N 1 2 250.342 1.455 20 10 CDCDLO COc1cc(C[N@@H+]2CCC(=O)C[C@@H]2C)c(O)c(OC)c1 ZINC001237674386 944918177 /nfs/dbraw/zinc/91/81/77/944918177.db2.gz FRRCJLVYSPVZPV-JTQLQIEISA-N 1 2 279.336 1.963 20 10 CDCDLO COc1cc(C[N@H+]2CCC(=O)C[C@@H]2C)c(O)c(OC)c1 ZINC001237674386 944918182 /nfs/dbraw/zinc/91/81/82/944918182.db2.gz FRRCJLVYSPVZPV-JTQLQIEISA-N 1 2 279.336 1.963 20 10 CDCDLO OC[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C[C@H]1O ZINC001237933596 945006949 /nfs/dbraw/zinc/00/69/49/945006949.db2.gz DORMZNVDLNOWNF-ISVAXAHUSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C[C@H]1O ZINC001237933596 945006958 /nfs/dbraw/zinc/00/69/58/945006958.db2.gz DORMZNVDLNOWNF-ISVAXAHUSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C[C@@H]1O ZINC001237933598 945007464 /nfs/dbraw/zinc/00/74/64/945007464.db2.gz DORMZNVDLNOWNF-SDBXPKJASA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C[C@@H]1O ZINC001237933598 945007472 /nfs/dbraw/zinc/00/74/72/945007472.db2.gz DORMZNVDLNOWNF-SDBXPKJASA-N 1 2 289.734 1.360 20 10 CDCDLO Cc1cc(F)cc(CN2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC001238056243 945041648 /nfs/dbraw/zinc/04/16/48/945041648.db2.gz GBPRLCCZRRAUGZ-HNNXBMFYSA-N 1 2 294.370 1.746 20 10 CDCDLO C[N@H+](CCNS(C)(=O)=O)Cc1c(O)cccc1Cl ZINC001324746843 953556163 /nfs/dbraw/zinc/55/61/63/953556163.db2.gz OJPQLPDMFBTVRQ-UHFFFAOYSA-N 1 2 292.788 1.027 20 10 CDCDLO C[N@@H+](CCNS(C)(=O)=O)Cc1c(O)cccc1Cl ZINC001324746843 953556172 /nfs/dbraw/zinc/55/61/72/953556172.db2.gz OJPQLPDMFBTVRQ-UHFFFAOYSA-N 1 2 292.788 1.027 20 10 CDCDLO CN1CCO[C@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@@H]21 ZINC000775717271 970101787 /nfs/dbraw/zinc/10/17/87/970101787.db2.gz NXROFECCCZTXOH-STQMWFEESA-N 1 2 282.771 1.560 20 10 CDCDLO CN1CCO[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]21 ZINC000775717271 970101790 /nfs/dbraw/zinc/10/17/90/970101790.db2.gz NXROFECCCZTXOH-STQMWFEESA-N 1 2 282.771 1.560 20 10 CDCDLO COCC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001605080202 1163445390 /nfs/dbraw/zinc/44/53/90/1163445390.db2.gz WSYWFGLONDFYSQ-VHSXEESVSA-N 1 2 291.355 1.648 20 10 CDCDLO COc1ccc(N2CCC[N@@H+]([C@@H]3CCOC3=O)CC2)cc1 ZINC000053774102 347753996 /nfs/dbraw/zinc/75/39/96/347753996.db2.gz UYXRQMOVMGTJHM-OAHLLOKOSA-N 1 2 290.363 1.523 20 10 CDCDLO COc1ccc(N2CCC[N@H+]([C@@H]3CCOC3=O)CC2)cc1 ZINC000053774102 347753999 /nfs/dbraw/zinc/75/39/99/347753999.db2.gz UYXRQMOVMGTJHM-OAHLLOKOSA-N 1 2 290.363 1.523 20 10 CDCDLO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276854549 366185090 /nfs/dbraw/zinc/18/50/90/366185090.db2.gz BLWBSIYFKSKLJA-SFYZADRCSA-N 1 2 261.268 1.328 20 10 CDCDLO C[C@H]([NH2+]CCn1cncn1)c1ccc(F)c(F)c1O ZINC000276925802 299301572 /nfs/dbraw/zinc/30/15/72/299301572.db2.gz NEWAUSIPYOHBDW-QMMMGPOBSA-N 1 2 268.267 1.613 20 10 CDCDLO O=S1(=O)CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124500316 360373985 /nfs/dbraw/zinc/37/39/85/360373985.db2.gz BGCWGJWSGKQVSW-SECBINFHSA-N 1 2 275.757 1.322 20 10 CDCDLO COCCn1nnc2c1CC[N@H+](Cc1ccccc1O)C2 ZINC000293695354 370751764 /nfs/dbraw/zinc/75/17/64/370751764.db2.gz RBRJTZKVIKZOMV-UHFFFAOYSA-N 1 2 288.351 1.188 20 10 CDCDLO COCCn1nnc2c1CC[N@@H+](Cc1ccccc1O)C2 ZINC000293695354 370751770 /nfs/dbraw/zinc/75/17/70/370751770.db2.gz RBRJTZKVIKZOMV-UHFFFAOYSA-N 1 2 288.351 1.188 20 10 CDCDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000272378057 365212471 /nfs/dbraw/zinc/21/24/71/365212471.db2.gz HIZUSIGOSAFKFW-CYBMUJFWSA-N 1 2 271.263 1.618 20 10 CDCDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000272378057 365212481 /nfs/dbraw/zinc/21/24/81/365212481.db2.gz HIZUSIGOSAFKFW-CYBMUJFWSA-N 1 2 271.263 1.618 20 10 CDCDLO CCCC[N@H+](Cc1nnn(C)n1)Cc1ccccc1O ZINC000282508047 367920964 /nfs/dbraw/zinc/92/09/64/367920964.db2.gz ROVPIBILAPYHIE-UHFFFAOYSA-N 1 2 275.356 1.718 20 10 CDCDLO CCCC[N@@H+](Cc1nnn(C)n1)Cc1ccccc1O ZINC000282508047 367920969 /nfs/dbraw/zinc/92/09/69/367920969.db2.gz ROVPIBILAPYHIE-UHFFFAOYSA-N 1 2 275.356 1.718 20 10 CDCDLO CCOC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000529664837 368087296 /nfs/dbraw/zinc/08/72/96/368087296.db2.gz FEGKGBOMKMPZDP-LBPRGKRZSA-N 1 2 295.335 1.358 20 10 CDCDLO CCOC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000529664837 368087300 /nfs/dbraw/zinc/08/73/00/368087300.db2.gz FEGKGBOMKMPZDP-LBPRGKRZSA-N 1 2 295.335 1.358 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C=O)CC2)c1O ZINC000294310997 371045224 /nfs/dbraw/zinc/04/52/24/371045224.db2.gz VUSRMYGTRKGCBC-UHFFFAOYSA-N 1 2 294.326 1.398 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C=O)CC2)c1O ZINC000294310997 371045227 /nfs/dbraw/zinc/04/52/27/371045227.db2.gz VUSRMYGTRKGCBC-UHFFFAOYSA-N 1 2 294.326 1.398 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)C(C)(C)C(N)=O)c1O ZINC000295808103 371465883 /nfs/dbraw/zinc/46/58/83/371465883.db2.gz WQMQECAFSYFIJW-UHFFFAOYSA-N 1 2 282.315 1.430 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1ccc(N(C)C)cc1 ZINC000093416102 390902412 /nfs/dbraw/zinc/90/24/12/390902412.db2.gz BSIJYSAGHWPSHS-UHFFFAOYSA-N 1 2 280.368 1.374 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1ccc(N(C)C)cc1 ZINC000093416102 390902413 /nfs/dbraw/zinc/90/24/13/390902413.db2.gz BSIJYSAGHWPSHS-UHFFFAOYSA-N 1 2 280.368 1.374 20 10 CDCDLO C[C@H](O)C(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000131651791 390929047 /nfs/dbraw/zinc/92/90/47/390929047.db2.gz XGMJEDSCVACEDZ-JTQLQIEISA-N 1 2 298.770 1.071 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C)CC2)c1O ZINC000037322862 260087836 /nfs/dbraw/zinc/08/78/36/260087836.db2.gz HXIFOKISHRRYSI-UHFFFAOYSA-N 1 2 280.343 1.871 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C)CC2)c1O ZINC000037322862 260087837 /nfs/dbraw/zinc/08/78/37/260087837.db2.gz HXIFOKISHRRYSI-UHFFFAOYSA-N 1 2 280.343 1.871 20 10 CDCDLO O=C(C[NH2+]Cc1cccc(Cl)c1O)NC1CC1 ZINC000158692975 261169497 /nfs/dbraw/zinc/16/94/97/261169497.db2.gz JWPQYZMIYPHOIS-UHFFFAOYSA-N 1 2 254.717 1.414 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000377835096 329031199 /nfs/dbraw/zinc/03/11/99/329031199.db2.gz QTCATDGPWLXYNN-LBPRGKRZSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc(OC)ccc1O ZINC000377835096 329031201 /nfs/dbraw/zinc/03/12/01/329031201.db2.gz QTCATDGPWLXYNN-LBPRGKRZSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000188783161 329372000 /nfs/dbraw/zinc/37/20/00/329372000.db2.gz YEKGVQVSGXHVRO-STQMWFEESA-N 1 2 299.754 1.544 20 10 CDCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000188783161 329372002 /nfs/dbraw/zinc/37/20/02/329372002.db2.gz YEKGVQVSGXHVRO-STQMWFEESA-N 1 2 299.754 1.544 20 10 CDCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1COCCN1 ZINC000530181073 333527244 /nfs/dbraw/zinc/52/72/44/333527244.db2.gz JYLUCCXUUCHSJT-JTQLQIEISA-N 1 2 291.178 1.777 20 10 CDCDLO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879892 523567710 /nfs/dbraw/zinc/56/77/10/523567710.db2.gz NLYUPQVJKYLVSJ-LLVKDONJSA-N 1 2 295.335 1.798 20 10 CDCDLO Cc1noc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000729684561 574820773 /nfs/dbraw/zinc/82/07/73/574820773.db2.gz RTASEGFJKSVXEW-ZETCQYMHSA-N 1 2 277.280 1.663 20 10 CDCDLO O=C(NCCCCn1cc[nH+]c1)C1=CC(=O)CS1 ZINC000732276188 575085897 /nfs/dbraw/zinc/08/58/97/575085897.db2.gz WEOZGZRIEJUUDS-UHFFFAOYSA-N 1 2 265.338 1.860 20 10 CDCDLO CCOCC[NH+]1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732293018 575087334 /nfs/dbraw/zinc/08/73/34/575087334.db2.gz XDXYJPRHNSQWEQ-UHFFFAOYSA-N 1 2 284.381 1.248 20 10 CDCDLO Cc1c[nH+]ccc1NC(=O)NCc1ccccc1O ZINC000767906799 575117692 /nfs/dbraw/zinc/11/76/92/575117692.db2.gz DXJRZEVLFFKBAS-UHFFFAOYSA-N 1 2 257.293 1.839 20 10 CDCDLO C[N@H+](Cc1c(O)cccc1Cl)[C@H]1CCNC1=O ZINC000770381711 575443966 /nfs/dbraw/zinc/44/39/66/575443966.db2.gz PIXVYZOBWXODCJ-JTQLQIEISA-N 1 2 254.717 1.366 20 10 CDCDLO C[N@@H+](Cc1c(O)cccc1Cl)[C@H]1CCNC1=O ZINC000770381711 575443970 /nfs/dbraw/zinc/44/39/70/575443970.db2.gz PIXVYZOBWXODCJ-JTQLQIEISA-N 1 2 254.717 1.366 20 10 CDCDLO COc1cccc(O)c1C[N@H+](C)CC(=O)NC(C)C ZINC000768204019 576264353 /nfs/dbraw/zinc/26/43/53/576264353.db2.gz OBQZLIXPTZSXQK-UHFFFAOYSA-N 1 2 266.341 1.357 20 10 CDCDLO COc1cccc(O)c1C[N@@H+](C)CC(=O)NC(C)C ZINC000768204019 576264356 /nfs/dbraw/zinc/26/43/56/576264356.db2.gz OBQZLIXPTZSXQK-UHFFFAOYSA-N 1 2 266.341 1.357 20 10 CDCDLO O=C(OCCC[NH+]1CCOCC1)C1=CC(=O)CS1 ZINC000750889223 577013091 /nfs/dbraw/zinc/01/30/91/577013091.db2.gz ZBEUVVOOJYIEBM-UHFFFAOYSA-N 1 2 271.338 1.333 20 10 CDCDLO COc1c([O-])c(C[NH2+]CC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000895293165 619525305 /nfs/dbraw/zinc/52/53/05/619525305.db2.gz GMGSJGNHNFROHE-JTQLQIEISA-N 1 2 297.355 1.739 20 10 CDCDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000897680895 621069346 /nfs/dbraw/zinc/06/93/46/621069346.db2.gz MVSFQLGJWYDDFC-CPCISQLKSA-N 1 2 259.708 1.997 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000897680895 621069349 /nfs/dbraw/zinc/06/93/49/621069349.db2.gz MVSFQLGJWYDDFC-CPCISQLKSA-N 1 2 259.708 1.997 20 10 CDCDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000897680898 621069371 /nfs/dbraw/zinc/06/93/71/621069371.db2.gz MVSFQLGJWYDDFC-WRWORJQWSA-N 1 2 259.708 1.997 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000897680898 621069374 /nfs/dbraw/zinc/06/93/74/621069374.db2.gz MVSFQLGJWYDDFC-WRWORJQWSA-N 1 2 259.708 1.997 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnn(C)n1)c1cc(Cl)ccc1O ZINC000787042623 621315488 /nfs/dbraw/zinc/31/54/88/621315488.db2.gz PACHTZQQDRHKNW-SSDOTTSWSA-N 1 2 267.720 1.420 20 10 CDCDLO Nc1ccc(CC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000045093699 630571832 /nfs/dbraw/zinc/57/18/32/630571832.db2.gz VWPPGWJEKBAHOV-UHFFFAOYSA-N 1 2 272.352 1.604 20 10 CDCDLO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)c1cn[nH]c1 ZINC001589954552 1173211722 /nfs/dbraw/zinc/21/17/22/1173211722.db2.gz YXUALNDUNCWWQZ-IUCAKERBSA-N 1 2 299.338 1.707 20 10 CDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000817415402 844153029 /nfs/dbraw/zinc/15/30/29/844153029.db2.gz SELLJZVLICLBHD-JTQLQIEISA-N 1 2 286.734 1.895 20 10 CDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000817415402 844153054 /nfs/dbraw/zinc/15/30/54/844153054.db2.gz SELLJZVLICLBHD-JTQLQIEISA-N 1 2 286.734 1.895 20 10 CDCDLO Oc1ccc(Cl)cc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000827120744 843678647 /nfs/dbraw/zinc/67/86/47/843678647.db2.gz VKZBWJIIMUJVMZ-CQSZACIVSA-N 1 2 296.798 1.952 20 10 CDCDLO Oc1ccc(Cl)cc1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000827120744 843678678 /nfs/dbraw/zinc/67/86/78/843678678.db2.gz VKZBWJIIMUJVMZ-CQSZACIVSA-N 1 2 296.798 1.952 20 10 CDCDLO C[C@@H]([NH2+]CC(=O)N=[S@@](C)(=O)N(C)C)c1ccccc1O ZINC000879650117 843840201 /nfs/dbraw/zinc/84/02/01/843840201.db2.gz JQPNDOSDOKHMKJ-CFMSYZGJSA-N 1 2 299.396 1.144 20 10 CDCDLO O=C1NC(=S)S/C1=C\c1cccc2[nH+]ccn21 ZINC000178941100 843993135 /nfs/dbraw/zinc/99/31/35/843993135.db2.gz PZDQVYHQKRPADC-VURMDHGXSA-N 1 2 261.331 1.823 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000931035460 844908081 /nfs/dbraw/zinc/90/80/81/844908081.db2.gz NQJUSVRFTWKWKO-INIZCTEOSA-N 1 2 292.379 1.328 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000931035460 844908085 /nfs/dbraw/zinc/90/80/85/844908085.db2.gz NQJUSVRFTWKWKO-INIZCTEOSA-N 1 2 292.379 1.328 20 10 CDCDLO Cc1ccc(C[NH+]2CCN(CC[S@](C)=O)CC2)c(O)c1 ZINC000876763900 845300576 /nfs/dbraw/zinc/30/05/76/845300576.db2.gz QTTZHGVUDPVWLA-FQEVSTJZSA-N 1 2 296.436 1.197 20 10 CDCDLO O=C(CCn1cc[nH+]c1)NCc1ccc(O)c(O)c1 ZINC000778914778 845516961 /nfs/dbraw/zinc/51/69/61/845516961.db2.gz LTMIMAWKHJUFHK-UHFFFAOYSA-N 1 2 261.281 1.001 20 10 CDCDLO OCC1([NH2+]Cc2cc(Cl)cc(F)c2O)CCOCC1 ZINC000776175096 845620028 /nfs/dbraw/zinc/62/00/28/845620028.db2.gz HEVFAHKVLZYGGJ-UHFFFAOYSA-N 1 2 289.734 1.816 20 10 CDCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncn(C)n2)c1 ZINC000230670185 846009569 /nfs/dbraw/zinc/00/95/69/846009569.db2.gz JOEYRDLDLRGEEY-VIFPVBQESA-N 1 2 262.313 1.380 20 10 CDCDLO Cn1cnnc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790949725 846196913 /nfs/dbraw/zinc/19/69/13/846196913.db2.gz HKUUISVTMGJPMI-UHFFFAOYSA-N 1 2 270.695 1.603 20 10 CDCDLO COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCC[NH2+]C2)c1 ZINC000817942372 846323942 /nfs/dbraw/zinc/32/39/42/846323942.db2.gz YCIYDHLWNWGYKK-ZYHUDNBSSA-N 1 2 278.352 1.581 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]C[C@]1(O)CCOC1 ZINC000224918118 847449820 /nfs/dbraw/zinc/44/98/20/847449820.db2.gz WDCUNUCBERXYBH-GFCCVEGCSA-N 1 2 257.717 1.287 20 10 CDCDLO O=C1C[N@H+](Cc2cccc(F)c2O)C[C@@H]2CCCN12 ZINC001138128511 936475991 /nfs/dbraw/zinc/47/59/91/936475991.db2.gz OPBKMFVAPSQRRE-NSHDSACASA-N 1 2 264.300 1.338 20 10 CDCDLO O=C1C[N@@H+](Cc2cccc(F)c2O)C[C@@H]2CCCN12 ZINC001138128511 936475992 /nfs/dbraw/zinc/47/59/92/936475992.db2.gz OPBKMFVAPSQRRE-NSHDSACASA-N 1 2 264.300 1.338 20 10 CDCDLO CN1CCOc2cc(CN3CCn4c[nH+]cc4C3)ccc21 ZINC001141144051 936819495 /nfs/dbraw/zinc/81/94/95/936819495.db2.gz UXIUQHAMYDLVPQ-UHFFFAOYSA-N 1 2 284.363 1.728 20 10 CDCDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1=CC(=O)CS1 ZINC000857943379 928777651 /nfs/dbraw/zinc/77/76/51/928777651.db2.gz DPLPHTWOBGERBO-MRVPVSSYSA-N 1 2 263.322 1.395 20 10 CDCDLO O=C(Nc1cccc2[nH+]ccn21)c1cccc(O)c1O ZINC001148213108 932667883 /nfs/dbraw/zinc/66/78/83/932667883.db2.gz VMWWKSJFRMZESU-UHFFFAOYSA-N 1 2 269.260 1.998 20 10 CDCDLO CN1CC2(C1)C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001203665817 939700605 /nfs/dbraw/zinc/70/06/05/939700605.db2.gz WPXZXTGACGRRRF-UHFFFAOYSA-N 1 2 252.745 1.793 20 10 CDCDLO C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001205830251 939942723 /nfs/dbraw/zinc/94/27/23/939942723.db2.gz SJNBNGAZTQJKDN-ZWNOBZJWSA-N 1 2 278.352 1.650 20 10 CDCDLO C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001205830251 939942724 /nfs/dbraw/zinc/94/27/24/939942724.db2.gz SJNBNGAZTQJKDN-ZWNOBZJWSA-N 1 2 278.352 1.650 20 10 CDCDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(O)c(O)cc1O ZINC001233483817 943592298 /nfs/dbraw/zinc/59/22/98/943592298.db2.gz MYZCAYZKZVUMEB-ZUZCIYMTSA-N 1 2 293.319 1.331 20 10 CDCDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(O)c(O)cc1O ZINC001233483817 943592301 /nfs/dbraw/zinc/59/23/01/943592301.db2.gz MYZCAYZKZVUMEB-ZUZCIYMTSA-N 1 2 293.319 1.331 20 10 CDCDLO COc1ccc(CN2CC3(C2)C[NH+](C)C3)c(O)c1Cl ZINC001236818262 944580449 /nfs/dbraw/zinc/58/04/49/944580449.db2.gz KDEIYTVOMVTRSR-UHFFFAOYSA-N 1 2 282.771 1.802 20 10 CDCDLO C[N@H+](CCS(C)(=O)=O)Cc1cc(F)ccc1O ZINC000179935076 357230642 /nfs/dbraw/zinc/23/06/42/357230642.db2.gz TYTHZWURUGDONN-UHFFFAOYSA-N 1 2 261.318 1.008 20 10 CDCDLO C[N@@H+](CCS(C)(=O)=O)Cc1cc(F)ccc1O ZINC000179935076 357230647 /nfs/dbraw/zinc/23/06/47/357230647.db2.gz TYTHZWURUGDONN-UHFFFAOYSA-N 1 2 261.318 1.008 20 10 CDCDLO CCN(C)C(=O)C[NH2+]Cc1cccc(Cl)c1O ZINC000187675829 357794276 /nfs/dbraw/zinc/79/42/76/357794276.db2.gz LLHYSFVIKGJTDX-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO OCCC[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000271697543 364994640 /nfs/dbraw/zinc/99/46/40/364994640.db2.gz BWFDPEITUGDIRG-UHFFFAOYSA-N 1 2 259.733 1.222 20 10 CDCDLO OCCC[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000271697543 364994644 /nfs/dbraw/zinc/99/46/44/364994644.db2.gz BWFDPEITUGDIRG-UHFFFAOYSA-N 1 2 259.733 1.222 20 10 CDCDLO C[C@@H]([NH2+]Cc1nccn1C)c1cc([N+](=O)[O-])ccc1O ZINC000273615730 296136419 /nfs/dbraw/zinc/13/64/19/296136419.db2.gz XGELHTYZBHCUHH-SECBINFHSA-N 1 2 276.296 1.885 20 10 CDCDLO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000291925306 370313479 /nfs/dbraw/zinc/31/34/79/370313479.db2.gz ODXYRILQXOOSQW-YUMQZZPRSA-N 1 2 267.285 1.086 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000493188552 253393321 /nfs/dbraw/zinc/39/33/21/253393321.db2.gz KQEQXFHXSJJRIA-DUXPYHPUSA-N 1 2 284.275 1.920 20 10 CDCDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000179581794 391212919 /nfs/dbraw/zinc/21/29/19/391212919.db2.gz PSFPTDMOPPFRJL-NSHDSACASA-N 1 2 268.744 1.885 20 10 CDCDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000179581794 391212921 /nfs/dbraw/zinc/21/29/21/391212921.db2.gz PSFPTDMOPPFRJL-NSHDSACASA-N 1 2 268.744 1.885 20 10 CDCDLO Oc1c(Br)cccc1C[NH+]1CCOCC1 ZINC000005943726 170159881 /nfs/dbraw/zinc/15/98/81/170159881.db2.gz KGNRZNUJVPUETP-UHFFFAOYSA-N 1 2 272.142 1.987 20 10 CDCDLO CN(C)c1ccc(C[NH2+]CC(F)(F)CO)cc1F ZINC000274282487 263022754 /nfs/dbraw/zinc/02/27/54/263022754.db2.gz VSZKTLZMCGCYNA-UHFFFAOYSA-N 1 2 262.275 1.609 20 10 CDCDLO COC[C@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276854546 293186711 /nfs/dbraw/zinc/18/67/11/293186711.db2.gz BLWBSIYFKSKLJA-HTQZYQBOSA-N 1 2 261.268 1.328 20 10 CDCDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000377890625 329033831 /nfs/dbraw/zinc/03/38/31/329033831.db2.gz WZVCRFKLHMOFSM-VIFPVBQESA-N 1 2 268.744 1.756 20 10 CDCDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cccc(Cl)c1O ZINC000377890625 329033833 /nfs/dbraw/zinc/03/38/33/329033833.db2.gz WZVCRFKLHMOFSM-VIFPVBQESA-N 1 2 268.744 1.756 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOCc2ccccc21 ZINC000492815826 332414772 /nfs/dbraw/zinc/41/47/72/332414772.db2.gz YJVWCVFPQNAUQW-WAYWQWQTSA-N 1 2 269.304 1.986 20 10 CDCDLO COc1cc(Cl)cc(C[NH2+][C@]2(C)CCOC2=O)c1O ZINC000290857960 522542675 /nfs/dbraw/zinc/54/26/75/522542675.db2.gz JMLCOXNTGYTSTR-CYBMUJFWSA-N 1 2 285.727 1.849 20 10 CDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1O ZINC000299536812 524958486 /nfs/dbraw/zinc/95/84/86/524958486.db2.gz UJGVEYXEOBTSSS-NSHDSACASA-N 1 2 274.324 1.477 20 10 CDCDLO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ncn(C)n1 ZINC000275386882 525444537 /nfs/dbraw/zinc/44/45/37/525444537.db2.gz AMFBCXQBVLMTOZ-JTQLQIEISA-N 1 2 277.347 1.871 20 10 CDCDLO COc1c(O)c(C[N@H+](C)Cc2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000774885305 575249127 /nfs/dbraw/zinc/24/91/27/575249127.db2.gz QVQJLPVNHXZVFP-UHFFFAOYSA-N 1 2 292.295 1.664 20 10 CDCDLO COc1c(O)c(C[N@@H+](C)Cc2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000774885305 575249130 /nfs/dbraw/zinc/24/91/30/575249130.db2.gz QVQJLPVNHXZVFP-UHFFFAOYSA-N 1 2 292.295 1.664 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000768448136 576284811 /nfs/dbraw/zinc/28/48/11/576284811.db2.gz BOJMGGKUXDRVLL-AWEZNQCLSA-N 1 2 295.335 1.083 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000768448136 576284813 /nfs/dbraw/zinc/28/48/13/576284813.db2.gz BOJMGGKUXDRVLL-AWEZNQCLSA-N 1 2 295.335 1.083 20 10 CDCDLO O=C(CCCn1cc[nH+]c1)NCCc1ccc(O)c(O)c1 ZINC000768904347 576316538 /nfs/dbraw/zinc/31/65/38/576316538.db2.gz VLTAENLTKASNRQ-UHFFFAOYSA-N 1 2 289.335 1.433 20 10 CDCDLO CC[C@@H]([NH3+])CNCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841071700 618681508 /nfs/dbraw/zinc/68/15/08/618681508.db2.gz IXBIPKCNHROFRJ-SECBINFHSA-N 1 2 269.301 1.136 20 10 CDCDLO [NH3+][C@@H]1CN(Cc2c(F)ccc(F)c2O)CC(F)(F)C1 ZINC001206124807 1164261478 /nfs/dbraw/zinc/26/14/78/1164261478.db2.gz OECPDEZHGCYTIQ-ZETCQYMHSA-N 1 2 278.249 1.839 20 10 CDCDLO CC[C@H]([NH2+]C/C=C\CO)c1cccc(-c2nn[nH]n2)c1O ZINC001590467354 1173420331 /nfs/dbraw/zinc/42/03/31/1173420331.db2.gz PSVBLJFCMNRJTO-MVZIDQBPSA-N 1 2 289.339 1.162 20 10 CDCDLO CN1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000776174419 698061806 /nfs/dbraw/zinc/06/18/06/698061806.db2.gz MANPJEKBZHYUEB-JTQLQIEISA-N 1 2 258.724 1.978 20 10 CDCDLO C[C@]1(C[NH2+]Cc2cccc(Cl)c2O)CCC(=O)N1 ZINC000835060054 704832295 /nfs/dbraw/zinc/83/22/95/704832295.db2.gz IFFCJZMWQRXZCX-CYBMUJFWSA-N 1 2 268.744 1.804 20 10 CDCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(C)no2)c1 ZINC000038034469 704895184 /nfs/dbraw/zinc/89/51/84/704895184.db2.gz JBTCSWVNLNMOGT-QMMMGPOBSA-N 1 2 263.297 1.943 20 10 CDCDLO C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(F)cc1O ZINC000702652495 848549155 /nfs/dbraw/zinc/54/91/55/848549155.db2.gz LISNYEKQHCAJRX-YGRLFVJLSA-N 1 2 268.332 1.249 20 10 CDCDLO CONC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000877786559 848747395 /nfs/dbraw/zinc/74/73/95/848747395.db2.gz NSARJIFCBRMDDI-UHFFFAOYSA-N 1 2 298.770 1.935 20 10 CDCDLO COc1ccc(N2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC000787731438 849111428 /nfs/dbraw/zinc/11/14/28/849111428.db2.gz RZAAZYHQSHBVES-UHFFFAOYSA-N 1 2 265.313 1.094 20 10 CDCDLO CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817980838 849579615 /nfs/dbraw/zinc/57/96/15/849579615.db2.gz XJJFXCJPBDAUGP-KOLCDFICSA-N 1 2 266.341 1.567 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000858154796 850435088 /nfs/dbraw/zinc/43/50/88/850435088.db2.gz RLQUOUOQFQZCGA-LBPRGKRZSA-N 1 2 288.351 1.785 20 10 CDCDLO C[C@]1(CO)C[N@H+](Cc2c(O)cc(F)cc2F)CC[C@H]1O ZINC001140582871 896961410 /nfs/dbraw/zinc/96/14/10/896961410.db2.gz OHBUBKKRJYRBII-ZIAGYGMSSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@]1(CO)C[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@H]1O ZINC001140582871 896961417 /nfs/dbraw/zinc/96/14/17/896961417.db2.gz OHBUBKKRJYRBII-ZIAGYGMSSA-N 1 2 287.306 1.236 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2c(O)cccc2F)C1 ZINC001137831560 936417079 /nfs/dbraw/zinc/41/70/79/936417079.db2.gz DYYZMLRMKIOMJV-ZJUUUORDSA-N 1 2 257.280 1.684 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137831560 936417082 /nfs/dbraw/zinc/41/70/82/936417082.db2.gz DYYZMLRMKIOMJV-ZJUUUORDSA-N 1 2 257.280 1.684 20 10 CDCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cccnn1)CCC2 ZINC001139974242 936663946 /nfs/dbraw/zinc/66/39/46/936663946.db2.gz XLGFLRIPGPQCLF-UHFFFAOYSA-N 1 2 271.320 1.836 20 10 CDCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cccnn1)CCC2 ZINC001139974242 936663947 /nfs/dbraw/zinc/66/39/47/936663947.db2.gz XLGFLRIPGPQCLF-UHFFFAOYSA-N 1 2 271.320 1.836 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2C[C@H](F)[C@@H](OC)C2)c(OC)c1 ZINC001141032358 936795761 /nfs/dbraw/zinc/79/57/61/936795761.db2.gz ZJZBZSABBJKNIJ-FZMZJTMJSA-N 1 2 285.315 1.578 20 10 CDCDLO COc1cc(O)c(C[N@H+]2C[C@H](F)[C@@H](OC)C2)c(OC)c1 ZINC001141032358 936795764 /nfs/dbraw/zinc/79/57/64/936795764.db2.gz ZJZBZSABBJKNIJ-FZMZJTMJSA-N 1 2 285.315 1.578 20 10 CDCDLO CCN1C[C@@H](C)[N@H+](Cc2ccc(OC)cc2O)CC1=O ZINC001203634851 939698899 /nfs/dbraw/zinc/69/88/99/939698899.db2.gz YBZUECNHRIZKIE-LLVKDONJSA-N 1 2 278.352 1.453 20 10 CDCDLO CCN1C[C@@H](C)[N@@H+](Cc2ccc(OC)cc2O)CC1=O ZINC001203634851 939698900 /nfs/dbraw/zinc/69/89/00/939698900.db2.gz YBZUECNHRIZKIE-LLVKDONJSA-N 1 2 278.352 1.453 20 10 CDCDLO Cn1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)n1 ZINC001206303072 940014463 /nfs/dbraw/zinc/01/44/63/940014463.db2.gz GVMDXLFEKKMHCW-UHFFFAOYSA-N 1 2 273.336 1.780 20 10 CDCDLO Cn1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)n1 ZINC001206303072 940014466 /nfs/dbraw/zinc/01/44/66/940014466.db2.gz GVMDXLFEKKMHCW-UHFFFAOYSA-N 1 2 273.336 1.780 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC(C)(CO)C2)c(Cl)c1 ZINC001236799680 944573262 /nfs/dbraw/zinc/57/32/62/944573262.db2.gz VNYQWMNYFQAEIE-UHFFFAOYSA-N 1 2 271.744 1.868 20 10 CDCDLO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1nnnn1C ZINC001308542065 956540959 /nfs/dbraw/zinc/54/09/59/956540959.db2.gz CPHVLEPWQPDPJC-VIFPVBQESA-N 1 2 278.335 1.266 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(N)cc2)CCO1 ZINC001336118393 960209790 /nfs/dbraw/zinc/20/97/90/960209790.db2.gz YMJNLDZWLCBWHD-ZDUSSCGKSA-N 1 2 264.325 1.033 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(N)cc2)CCO1 ZINC001336118393 960209798 /nfs/dbraw/zinc/20/97/98/960209798.db2.gz YMJNLDZWLCBWHD-ZDUSSCGKSA-N 1 2 264.325 1.033 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(OC)ccc1O ZINC000180037061 357238547 /nfs/dbraw/zinc/23/85/47/357238547.db2.gz HRNDCIJEURIXBR-GFCCVEGCSA-N 1 2 264.325 1.111 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000180037061 357238550 /nfs/dbraw/zinc/23/85/50/357238550.db2.gz HRNDCIJEURIXBR-GFCCVEGCSA-N 1 2 264.325 1.111 20 10 CDCDLO CCOC1C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000297489689 200208477 /nfs/dbraw/zinc/20/84/77/200208477.db2.gz TXJBEALPOGTAHU-UHFFFAOYSA-N 1 2 282.296 1.530 20 10 CDCDLO COc1ccc(N2CCC[N@@H+]([C@H]3CCOC3=O)CC2)cc1 ZINC000363213433 369135848 /nfs/dbraw/zinc/13/58/48/369135848.db2.gz UYXRQMOVMGTJHM-HNNXBMFYSA-N 1 2 290.363 1.523 20 10 CDCDLO COc1ccc(N2CCC[N@H+]([C@H]3CCOC3=O)CC2)cc1 ZINC000363213433 369135853 /nfs/dbraw/zinc/13/58/53/369135853.db2.gz UYXRQMOVMGTJHM-HNNXBMFYSA-N 1 2 290.363 1.523 20 10 CDCDLO COc1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1F ZINC000121992456 390894983 /nfs/dbraw/zinc/89/49/83/390894983.db2.gz VUXNWHFDTNNYHW-UHFFFAOYSA-N 1 2 290.342 1.880 20 10 CDCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)C)CC2)cc1F ZINC000122000724 390895494 /nfs/dbraw/zinc/89/54/94/390895494.db2.gz GEFDVHHBLOZUON-UHFFFAOYSA-N 1 2 295.358 1.045 20 10 CDCDLO COC[C@H](C[NH2+]Cc1cccc(Cl)c1O)OC ZINC000227717430 392046189 /nfs/dbraw/zinc/04/61/89/392046189.db2.gz DTCDMDPXHRTDIX-JTQLQIEISA-N 1 2 259.733 1.797 20 10 CDCDLO CCOCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273407668 286098645 /nfs/dbraw/zinc/09/86/45/286098645.db2.gz OXYDPYZDWSDWIH-VIFPVBQESA-N 1 2 254.286 1.988 20 10 CDCDLO C[C@H](CCCO)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589821890 1173188474 /nfs/dbraw/zinc/18/84/74/1173188474.db2.gz YTRZJMQZHGQANS-ZJUUUORDSA-N 1 2 291.355 1.384 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184688320 262026007 /nfs/dbraw/zinc/02/60/07/262026007.db2.gz PXUDJYHNEDQOIJ-LLVKDONJSA-N 1 2 298.770 1.765 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184688320 262026010 /nfs/dbraw/zinc/02/60/10/262026010.db2.gz PXUDJYHNEDQOIJ-LLVKDONJSA-N 1 2 298.770 1.765 20 10 CDCDLO OC[C@@]1([NH2+]Cc2cc(Cl)cc(Cl)c2O)CCOC1 ZINC000184194766 262272319 /nfs/dbraw/zinc/27/23/19/262272319.db2.gz PXSNYQGEXMGEHL-LBPRGKRZSA-N 1 2 292.162 1.940 20 10 CDCDLO COc1ccc(N2CC[NH+](CC3OCCO3)CC2)cc1 ZINC000181948642 327811397 /nfs/dbraw/zinc/81/13/97/327811397.db2.gz BBEADFZPANVXRD-UHFFFAOYSA-N 1 2 278.352 1.190 20 10 CDCDLO COc1c(O)c(C[NH2+]Cc2cc(C)no2)ccc1[N+](=O)[O-] ZINC000278513823 521877874 /nfs/dbraw/zinc/87/78/74/521877874.db2.gz QHCZSIQUCZPRTL-UHFFFAOYSA-N 1 2 293.279 1.895 20 10 CDCDLO Cc1ccc(O)c(C[N@@H+]2CC(F)(F)C[C@H]2CO)c1 ZINC000364841050 525338965 /nfs/dbraw/zinc/33/89/65/525338965.db2.gz FHDVOVZZPZHUBH-NSHDSACASA-N 1 2 257.280 1.903 20 10 CDCDLO Cc1ccc(O)c(C[N@H+]2CC(F)(F)C[C@H]2CO)c1 ZINC000364841050 525338969 /nfs/dbraw/zinc/33/89/69/525338969.db2.gz FHDVOVZZPZHUBH-NSHDSACASA-N 1 2 257.280 1.903 20 10 CDCDLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000738554721 576087841 /nfs/dbraw/zinc/08/78/41/576087841.db2.gz IRERVCSBCJNJOQ-NSHDSACASA-N 1 2 268.382 1.866 20 10 CDCDLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000738554721 576087843 /nfs/dbraw/zinc/08/78/43/576087843.db2.gz IRERVCSBCJNJOQ-NSHDSACASA-N 1 2 268.382 1.866 20 10 CDCDLO Cc1ccc(O)c(C[N@H+](C)Cc2nnc3n2CCC3)c1 ZINC000768224298 576265831 /nfs/dbraw/zinc/26/58/31/576265831.db2.gz WFOXGYUVVJYTKN-UHFFFAOYSA-N 1 2 272.352 1.870 20 10 CDCDLO Cc1ccc(O)c(C[N@@H+](C)Cc2nnc3n2CCC3)c1 ZINC000768224298 576265833 /nfs/dbraw/zinc/26/58/33/576265833.db2.gz WFOXGYUVVJYTKN-UHFFFAOYSA-N 1 2 272.352 1.870 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCO[C@H](C(=O)OC)C2)c1O ZINC000769333141 576346617 /nfs/dbraw/zinc/34/66/17/576346617.db2.gz QOVZPHHTPRCWOG-ZDUSSCGKSA-N 1 2 295.335 1.165 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCO[C@H](C(=O)OC)C2)c1O ZINC000769333141 576346618 /nfs/dbraw/zinc/34/66/18/576346618.db2.gz QOVZPHHTPRCWOG-ZDUSSCGKSA-N 1 2 295.335 1.165 20 10 CDCDLO NC(=O)c1cc(C[NH2+]Cc2cc(Cl)cc(F)c2O)on1 ZINC000757906821 577060236 /nfs/dbraw/zinc/06/02/36/577060236.db2.gz PFPSFMKEVGKZJK-UHFFFAOYSA-N 1 2 299.689 1.561 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000893923034 618180519 /nfs/dbraw/zinc/18/05/19/618180519.db2.gz DMRKXQZGOFDPHD-UHFFFAOYSA-N 1 2 267.325 1.704 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000893923034 618180521 /nfs/dbraw/zinc/18/05/21/618180521.db2.gz DMRKXQZGOFDPHD-UHFFFAOYSA-N 1 2 267.325 1.704 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCO[C@H](OC)C2)c(O)c1 ZINC000895968400 619926423 /nfs/dbraw/zinc/92/64/23/619926423.db2.gz BTSDBOYMMBHOEL-AWEZNQCLSA-N 1 2 267.325 1.596 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCO[C@H](OC)C2)c(O)c1 ZINC000895968400 619926426 /nfs/dbraw/zinc/92/64/26/619926426.db2.gz BTSDBOYMMBHOEL-AWEZNQCLSA-N 1 2 267.325 1.596 20 10 CDCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](OC)C1 ZINC000895968601 619926561 /nfs/dbraw/zinc/92/65/61/619926561.db2.gz DWHGSKZYQMJDCN-CYBMUJFWSA-N 1 2 253.298 1.206 20 10 CDCDLO COc1cccc(O)c1C[N@H+]1CCO[C@@H](OC)C1 ZINC000895968601 619926564 /nfs/dbraw/zinc/92/65/64/619926564.db2.gz DWHGSKZYQMJDCN-CYBMUJFWSA-N 1 2 253.298 1.206 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](OC)C2)c1 ZINC000895969184 619927578 /nfs/dbraw/zinc/92/75/78/619927578.db2.gz YTRBRUCWZPHKMM-CYBMUJFWSA-N 1 2 253.298 1.206 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CCO[C@@H](OC)C2)c1 ZINC000895969184 619927585 /nfs/dbraw/zinc/92/75/85/619927585.db2.gz YTRBRUCWZPHKMM-CYBMUJFWSA-N 1 2 253.298 1.206 20 10 CDCDLO CN1CC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000896594008 620160606 /nfs/dbraw/zinc/16/06/06/620160606.db2.gz FIUOVFHCMAOQJI-VIFPVBQESA-N 1 2 258.724 1.978 20 10 CDCDLO O=C(Cc1c[nH]c[nH+]1)NCc1ccc(N2CCCC2)cc1 ZINC000900187137 622783451 /nfs/dbraw/zinc/78/34/51/622783451.db2.gz BRYYNYVORHCJCC-UHFFFAOYSA-N 1 2 284.363 1.869 20 10 CDCDLO C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001604357025 1163163367 /nfs/dbraw/zinc/16/33/67/1163163367.db2.gz FVDLLHOOBKZRPC-VDDIYKPWSA-N 1 2 264.325 1.349 20 10 CDCDLO Cc1nnc(C[NH2+][C@H](C)c2ccc(F)cc2O)n1C ZINC000393157184 1187285871 /nfs/dbraw/zinc/28/58/71/1187285871.db2.gz RQUDNSBAOAPALL-MRVPVSSYSA-N 1 2 264.304 1.819 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(F)cc(F)c1O ZINC000858552552 705881002 /nfs/dbraw/zinc/88/10/02/705881002.db2.gz HAKDCYAEKIEAHL-UPZJHPNMSA-N 1 2 273.279 1.471 20 10 CDCDLO COc1cccc(O)c1C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000792193622 706061748 /nfs/dbraw/zinc/06/17/48/706061748.db2.gz ZBXCKUJQPYFLQS-QEAOQQLJSA-N 1 2 283.393 1.742 20 10 CDCDLO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000792193622 706061749 /nfs/dbraw/zinc/06/17/49/706061749.db2.gz ZBXCKUJQPYFLQS-QEAOQQLJSA-N 1 2 283.393 1.742 20 10 CDCDLO C[N@@H+]1CCN(Cc2c(O)ccc(Cl)c2F)[C@@H](CO)C1 ZINC000877644939 706107613 /nfs/dbraw/zinc/10/76/13/706107613.db2.gz WNEMEOCZDXZZLS-SECBINFHSA-N 1 2 288.750 1.293 20 10 CDCDLO C[N@H+]1CCN(Cc2c(O)ccc(Cl)c2F)[C@@H](CO)C1 ZINC000877644939 706107629 /nfs/dbraw/zinc/10/76/29/706107629.db2.gz WNEMEOCZDXZZLS-SECBINFHSA-N 1 2 288.750 1.293 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H](C)O1 ZINC000846060765 706203092 /nfs/dbraw/zinc/20/30/92/706203092.db2.gz UTEGJFHBUDNJAU-ZANVPECISA-N 1 2 283.299 1.294 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H](C)O1 ZINC000846060765 706203099 /nfs/dbraw/zinc/20/30/99/706203099.db2.gz UTEGJFHBUDNJAU-ZANVPECISA-N 1 2 283.299 1.294 20 10 CDCDLO COc1ccc(O)c([C@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC000806794080 709966640 /nfs/dbraw/zinc/96/66/40/709966640.db2.gz WZDGWKWQYNPAGX-JTQLQIEISA-N 1 2 289.335 1.554 20 10 CDCDLO NC(=O)[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000160305212 710227567 /nfs/dbraw/zinc/22/75/67/710227567.db2.gz YLAJXQDCLYEGEM-SNVBAGLBSA-N 1 2 299.168 1.604 20 10 CDCDLO CC[N@H+](CC[NH3+])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000863645248 710539091 /nfs/dbraw/zinc/53/90/91/710539091.db2.gz TZNZDMIJCUIMEY-UHFFFAOYSA-N 1 2 273.720 1.734 20 10 CDCDLO CC[N@@H+](CC[NH3+])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000863645248 710539095 /nfs/dbraw/zinc/53/90/95/710539095.db2.gz TZNZDMIJCUIMEY-UHFFFAOYSA-N 1 2 273.720 1.734 20 10 CDCDLO Cc1[nH+]c[nH]c1CC(=O)NCCc1ccc(N)cc1 ZINC000876527415 710727310 /nfs/dbraw/zinc/72/73/10/710727310.db2.gz DJXCSVDRKXGVOX-UHFFFAOYSA-N 1 2 258.325 1.202 20 10 CDCDLO COC(=O)c1ccc(O)c([C@@H](C)NCC(F)(F)C[NH3+])c1 ZINC000817966419 711468442 /nfs/dbraw/zinc/46/84/42/711468442.db2.gz NJRNRQCWYNWJRF-MRVPVSSYSA-N 1 2 288.294 1.423 20 10 CDCDLO COc1ccc(O)c(CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000845834481 711496626 /nfs/dbraw/zinc/49/66/26/711496626.db2.gz PJGGRZYVMKRWDZ-NSHDSACASA-N 1 2 289.335 1.865 20 10 CDCDLO COc1cccc(C[NH2+]Cc2nc(CSC)n[nH]2)c1O ZINC000886327531 711733254 /nfs/dbraw/zinc/73/32/54/711733254.db2.gz LVMXFXYKYYRSGN-UHFFFAOYSA-N 1 2 294.380 1.672 20 10 CDCDLO CC[C@H]([NH2+]Cc1nnn(C)n1)c1ccc(F)cc1O ZINC000796970560 711818177 /nfs/dbraw/zinc/81/81/77/711818177.db2.gz CWPRXHOWZXKXFB-JTQLQIEISA-N 1 2 265.292 1.296 20 10 CDCDLO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(F)c(F)c1O ZINC001233078240 912712954 /nfs/dbraw/zinc/71/29/54/912712954.db2.gz MZZZSFTUSDQXLH-UWVGGRQHSA-N 1 2 254.280 1.559 20 10 CDCDLO C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(F)c(F)c1O ZINC001233078240 912712972 /nfs/dbraw/zinc/71/29/72/912712972.db2.gz MZZZSFTUSDQXLH-UWVGGRQHSA-N 1 2 254.280 1.559 20 10 CDCDLO COc1cc[nH+]cc1NCCc1cc(O)c(O)cc1O ZINC001168010113 905436711 /nfs/dbraw/zinc/43/67/11/905436711.db2.gz QTLFLNHXOQMCCQ-UHFFFAOYSA-N 1 2 276.292 1.862 20 10 CDCDLO C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(F)c(F)cc1[O-] ZINC001142527516 908867705 /nfs/dbraw/zinc/86/77/05/908867705.db2.gz XQIGETOIVWLVBZ-UHFFFAOYSA-N 1 2 299.365 1.350 20 10 CDCDLO C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(F)c(F)cc1[O-] ZINC001142527516 908867732 /nfs/dbraw/zinc/86/77/32/908867732.db2.gz XQIGETOIVWLVBZ-UHFFFAOYSA-N 1 2 299.365 1.350 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1Cl ZINC001232258923 912065582 /nfs/dbraw/zinc/06/55/82/912065582.db2.gz DOIZRLNZGBNJRY-AWEZNQCLSA-N 1 2 299.754 1.743 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1Cl ZINC001232258923 912065597 /nfs/dbraw/zinc/06/55/97/912065597.db2.gz DOIZRLNZGBNJRY-AWEZNQCLSA-N 1 2 299.754 1.743 20 10 CDCDLO Cc1cc(C)c(CNC(=O)CCc2[nH]cc[nH+]2)c(O)c1 ZINC001178000463 915088963 /nfs/dbraw/zinc/08/89/63/915088963.db2.gz PHJJRAQNLGOXQM-UHFFFAOYSA-N 1 2 273.336 1.981 20 10 CDCDLO Oc1cc(F)cc(F)c1CN1CC[NH+](C2CC2)CC1 ZINC001140582354 936727287 /nfs/dbraw/zinc/72/72/87/936727287.db2.gz GUMCWVNXLLHAJG-UHFFFAOYSA-N 1 2 268.307 1.950 20 10 CDCDLO CCOC(=O)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137838784 923043271 /nfs/dbraw/zinc/04/32/71/923043271.db2.gz KNVOXDIXCUDDBC-UHFFFAOYSA-N 1 2 282.315 1.805 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001144514404 931878117 /nfs/dbraw/zinc/87/81/17/931878117.db2.gz BRFQTKMUIQBOIV-LLVKDONJSA-N 1 2 293.241 1.567 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001144514404 931878119 /nfs/dbraw/zinc/87/81/19/931878119.db2.gz BRFQTKMUIQBOIV-LLVKDONJSA-N 1 2 293.241 1.567 20 10 CDCDLO C[C@@H](CC(=O)NCc1ccc(N)cc1)n1cc[nH+]c1 ZINC000846297915 932008408 /nfs/dbraw/zinc/00/84/08/932008408.db2.gz LVJRVOVNLWOMRC-NSHDSACASA-N 1 2 258.325 1.733 20 10 CDCDLO CCC(=O)N1CC[NH+](Cc2cc(OC)c(O)cc2O)CC1 ZINC001231634983 942951985 /nfs/dbraw/zinc/95/19/85/942951985.db2.gz SJQRPEVECSAPDQ-UHFFFAOYSA-N 1 2 294.351 1.161 20 10 CDCDLO CCN(Cc1ccc(N(C)C)cc1OC)C1C[NH+](C)C1 ZINC001231857350 943030407 /nfs/dbraw/zinc/03/04/07/943030407.db2.gz HNVNMYMSOIZBOT-UHFFFAOYSA-N 1 2 277.412 1.897 20 10 CDCDLO O=C1CC[C@@H]2C[N@@H+](Cc3cc(Cl)c(O)cc3O)CCN12 ZINC001232262439 943194621 /nfs/dbraw/zinc/19/46/21/943194621.db2.gz HRZGOLQYBTTXMN-SNVBAGLBSA-N 1 2 296.754 1.558 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1Cl ZINC001232265362 943195541 /nfs/dbraw/zinc/19/55/41/943195541.db2.gz URKTWSBRLDXXPM-NSHDSACASA-N 1 2 298.770 1.894 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCCC[C@H]2C(N)=O)cc1Cl ZINC001232265362 943195544 /nfs/dbraw/zinc/19/55/44/943195544.db2.gz URKTWSBRLDXXPM-NSHDSACASA-N 1 2 298.770 1.894 20 10 CDCDLO Nc1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001263304163 943823070 /nfs/dbraw/zinc/82/30/70/943823070.db2.gz UJLKPQZKVIXSOB-LBPRGKRZSA-N 1 2 270.336 1.344 20 10 CDCDLO O=C([O-])c1ccc(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c(O)c1 ZINC001235121601 944060428 /nfs/dbraw/zinc/06/04/28/944060428.db2.gz QXPGZQBLOMCZPT-MRXNPFEDSA-N 1 2 290.363 1.808 20 10 CDCDLO O=C([O-])c1ccc(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c(O)c1 ZINC001235121601 944060429 /nfs/dbraw/zinc/06/04/29/944060429.db2.gz QXPGZQBLOMCZPT-MRXNPFEDSA-N 1 2 290.363 1.808 20 10 CDCDLO COc1cc(C[N@H+](C)Cc2ncccn2)c(O)c(OC)c1 ZINC001237674920 944920086 /nfs/dbraw/zinc/92/00/86/944920086.db2.gz NHSPRQKFSCUBEP-UHFFFAOYSA-N 1 2 289.335 1.831 20 10 CDCDLO COc1cc(C[N@@H+](C)Cc2ncccn2)c(O)c(OC)c1 ZINC001237674920 944920099 /nfs/dbraw/zinc/92/00/99/944920099.db2.gz NHSPRQKFSCUBEP-UHFFFAOYSA-N 1 2 289.335 1.831 20 10 CDCDLO Cc1cc(F)cc(C[NH+]2CCN(C(=O)C3CC3)CC2)c1O ZINC001238061318 945046135 /nfs/dbraw/zinc/04/61/35/945046135.db2.gz GLVARMRFTKEFTC-UHFFFAOYSA-N 1 2 292.354 1.894 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1ccc(CC(=O)OC)cc1O ZINC001249178763 949439990 /nfs/dbraw/zinc/43/99/90/949439990.db2.gz VQHAVGPUAYWDME-UHFFFAOYSA-N 1 2 295.335 1.103 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1ccc(CC(=O)OC)cc1O ZINC001249178763 949440009 /nfs/dbraw/zinc/44/00/09/949440009.db2.gz VQHAVGPUAYWDME-UHFFFAOYSA-N 1 2 295.335 1.103 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1F ZINC000282265211 282289890 /nfs/dbraw/zinc/28/98/90/282289890.db2.gz KDVDEEIRYWWBBI-INIZCTEOSA-N 1 2 294.370 1.883 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1F ZINC000282265211 282289891 /nfs/dbraw/zinc/28/98/91/282289891.db2.gz KDVDEEIRYWWBBI-INIZCTEOSA-N 1 2 294.370 1.883 20 10 CDCDLO COc1ccc2ccc(O)c(C[N@@H+]3CCNC(=O)C3)c2c1 ZINC000058593357 357408284 /nfs/dbraw/zinc/40/82/84/357408284.db2.gz WEUFYABRINNNFS-UHFFFAOYSA-N 1 2 286.331 1.486 20 10 CDCDLO COc1ccc2ccc(O)c(C[N@H+]3CCNC(=O)C3)c2c1 ZINC000058593357 357408289 /nfs/dbraw/zinc/40/82/89/357408289.db2.gz WEUFYABRINNNFS-UHFFFAOYSA-N 1 2 286.331 1.486 20 10 CDCDLO COC[C@@H](CCO)[NH2+]Cc1cccc(Cl)c1O ZINC000224846478 359532047 /nfs/dbraw/zinc/53/20/47/359532047.db2.gz FVAAOYQBTFNSFF-SNVBAGLBSA-N 1 2 259.733 1.533 20 10 CDCDLO COCC[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000123008854 360250770 /nfs/dbraw/zinc/25/07/70/360250770.db2.gz CRAAWSXGBYEREF-UHFFFAOYSA-N 1 2 284.787 1.810 20 10 CDCDLO COCCN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000123008854 360250778 /nfs/dbraw/zinc/25/07/78/360250778.db2.gz CRAAWSXGBYEREF-UHFFFAOYSA-N 1 2 284.787 1.810 20 10 CDCDLO COC(=O)C[N@H+](Cc1cc(OC)ccc1O)C1CC1 ZINC000271841857 365001660 /nfs/dbraw/zinc/00/16/60/365001660.db2.gz QIQLXIRTPGIYRH-UHFFFAOYSA-N 1 2 265.309 1.538 20 10 CDCDLO COC(=O)C[N@@H+](Cc1cc(OC)ccc1O)C1CC1 ZINC000271841857 365001663 /nfs/dbraw/zinc/00/16/63/365001663.db2.gz QIQLXIRTPGIYRH-UHFFFAOYSA-N 1 2 265.309 1.538 20 10 CDCDLO Oc1c(Cl)cccc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000375238879 370799990 /nfs/dbraw/zinc/79/99/90/370799990.db2.gz SEBPMOJJBSCXPF-LBPRGKRZSA-N 1 2 282.771 1.562 20 10 CDCDLO Oc1c(Cl)cccc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000375238879 370799994 /nfs/dbraw/zinc/79/99/94/370799994.db2.gz SEBPMOJJBSCXPF-LBPRGKRZSA-N 1 2 282.771 1.562 20 10 CDCDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000274128772 371187939 /nfs/dbraw/zinc/18/79/39/371187939.db2.gz ORYBQCPJBCDWSH-GFCCVEGCSA-N 1 2 287.356 1.540 20 10 CDCDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000274128772 371187946 /nfs/dbraw/zinc/18/79/46/371187946.db2.gz ORYBQCPJBCDWSH-GFCCVEGCSA-N 1 2 287.356 1.540 20 10 CDCDLO COC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000049956582 390812732 /nfs/dbraw/zinc/81/27/32/390812732.db2.gz YZKPUBQFZJDUNP-GFCCVEGCSA-N 1 2 278.352 1.379 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3nccc(N)n3)CC2)cc1 ZINC000179186635 391196991 /nfs/dbraw/zinc/19/69/91/391196991.db2.gz WFRSGZLPOLWTEO-UHFFFAOYSA-N 1 2 299.378 1.390 20 10 CDCDLO CCCOc1ccc(C[NH2+]CC(F)(F)CO)c(O)c1 ZINC000183869368 391272576 /nfs/dbraw/zinc/27/25/76/391272576.db2.gz MWJAQCAMKOUILG-UHFFFAOYSA-N 1 2 275.295 1.898 20 10 CDCDLO CC(=O)c1cc(Cl)cc(CN2CC[NH+](C)CC2)c1O ZINC000037322582 260159730 /nfs/dbraw/zinc/15/97/30/260159730.db2.gz FBLAXXLYQLDNHH-UHFFFAOYSA-N 1 2 282.771 1.996 20 10 CDCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1COCCN1 ZINC000530181074 333527144 /nfs/dbraw/zinc/52/71/44/333527144.db2.gz JYLUCCXUUCHSJT-SNVBAGLBSA-N 1 2 291.178 1.777 20 10 CDCDLO CCOc1cccc(C[NH2+][C@@]2(C)CCOC2=O)c1O ZINC000289746580 521374077 /nfs/dbraw/zinc/37/40/77/521374077.db2.gz HVHJRIHHYVEHDF-AWEZNQCLSA-N 1 2 265.309 1.586 20 10 CDCDLO COc1ccc(O)c(C[NH2+][C@@]2(C)CCOC2=O)c1 ZINC000290772392 524755842 /nfs/dbraw/zinc/75/58/42/524755842.db2.gz CFRGKWNTACSVHS-ZDUSSCGKSA-N 1 2 251.282 1.196 20 10 CDCDLO Oc1ccccc1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000764806844 575948455 /nfs/dbraw/zinc/94/84/55/575948455.db2.gz RSXOBSZFYDLRNJ-UHFFFAOYSA-N 1 2 286.335 1.631 20 10 CDCDLO Oc1ccccc1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000764806844 575948456 /nfs/dbraw/zinc/94/84/56/575948456.db2.gz RSXOBSZFYDLRNJ-UHFFFAOYSA-N 1 2 286.335 1.631 20 10 CDCDLO Cn1c[nH+]cc1CNC(=O)NCCc1ccc(N)cc1 ZINC000892038990 617434281 /nfs/dbraw/zinc/43/42/81/617434281.db2.gz NJTWDIKRPHYMSL-UHFFFAOYSA-N 1 2 273.340 1.044 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CC12CC2)c1cccc(-c2nn[nH]n2)c1O ZINC001589954682 1173211765 /nfs/dbraw/zinc/21/17/65/1173211765.db2.gz INJPDAVAGZHMTG-GZMMTYOYSA-N 1 2 271.324 1.775 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1COCCO1 ZINC000776033441 711874106 /nfs/dbraw/zinc/87/41/06/711874106.db2.gz HRKMYASKOIGKSN-SNVBAGLBSA-N 1 2 275.707 1.690 20 10 CDCDLO COc1cccc(O)c1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000827885194 711947159 /nfs/dbraw/zinc/94/71/59/711947159.db2.gz UBWJCTPCZYMTOL-UHFFFAOYSA-N 1 2 260.297 1.077 20 10 CDCDLO COc1cccc(O)c1C[N@H+]1CCc2nn[nH]c2C1 ZINC000827885194 711947160 /nfs/dbraw/zinc/94/71/60/711947160.db2.gz UBWJCTPCZYMTOL-UHFFFAOYSA-N 1 2 260.297 1.077 20 10 CDCDLO NC(=O)CC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000817411792 712430920 /nfs/dbraw/zinc/43/09/20/712430920.db2.gz ZNSRRERGVVANGY-UHFFFAOYSA-N 1 2 286.734 1.930 20 10 CDCDLO COc1ccc(O)c(C[NH2+][C@@H](C)c2nc(C)no2)c1 ZINC000792176731 712770014 /nfs/dbraw/zinc/77/00/14/712770014.db2.gz JXGSOAYOPZVPBH-QMMMGPOBSA-N 1 2 263.297 1.943 20 10 CDCDLO Cc1ccc(C)c(C[N@@H+]2CCn3nncc3C2)c1O ZINC001140184501 895214793 /nfs/dbraw/zinc/21/47/93/895214793.db2.gz WWVAVNDJWXJOGU-UHFFFAOYSA-N 1 2 258.325 1.616 20 10 CDCDLO Cc1ccc(C)c(C[N@H+]2CCn3nncc3C2)c1O ZINC001140184501 895214813 /nfs/dbraw/zinc/21/48/13/895214813.db2.gz WWVAVNDJWXJOGU-UHFFFAOYSA-N 1 2 258.325 1.616 20 10 CDCDLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000724873787 897459430 /nfs/dbraw/zinc/45/94/30/897459430.db2.gz RKYWABALNGKJTE-VXGBXAGGSA-N 1 2 271.744 1.939 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c(Cl)c1 ZINC001236799688 916453070 /nfs/dbraw/zinc/45/30/70/916453070.db2.gz VWMUPEPXRLWARR-IUCAKERBSA-N 1 2 289.734 1.959 20 10 CDCDLO COc1cc(O)c(C[N@H+]2C[C@@H](F)C[C@H]2CO)c(Cl)c1 ZINC001236799688 916453074 /nfs/dbraw/zinc/45/30/74/916453074.db2.gz VWMUPEPXRLWARR-IUCAKERBSA-N 1 2 289.734 1.959 20 10 CDCDLO COCC[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137833074 936417708 /nfs/dbraw/zinc/41/77/08/936417708.db2.gz RJPIAXMVYMGRBJ-UHFFFAOYSA-N 1 2 268.332 1.295 20 10 CDCDLO COCCN1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137833074 936417710 /nfs/dbraw/zinc/41/77/10/936417710.db2.gz RJPIAXMVYMGRBJ-UHFFFAOYSA-N 1 2 268.332 1.295 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cccc(F)c3O)[C@H]2C1 ZINC001138123678 936473916 /nfs/dbraw/zinc/47/39/16/936473916.db2.gz GPMNMGKQNVLEBD-LEWSCRJBSA-N 1 2 281.327 1.503 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cccc(F)c3O)[C@H]2C1 ZINC001138123678 936473917 /nfs/dbraw/zinc/47/39/17/936473917.db2.gz GPMNMGKQNVLEBD-LEWSCRJBSA-N 1 2 281.327 1.503 20 10 CDCDLO N#CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138500668 936542717 /nfs/dbraw/zinc/54/27/17/936542717.db2.gz FATSFRRCWKJCSI-UHFFFAOYSA-N 1 2 286.379 1.122 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000827885312 936612762 /nfs/dbraw/zinc/61/27/62/936612762.db2.gz WSSQTKAXAJLLIU-UHFFFAOYSA-N 1 2 260.297 1.077 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000827885312 936612764 /nfs/dbraw/zinc/61/27/64/936612764.db2.gz WSSQTKAXAJLLIU-UHFFFAOYSA-N 1 2 260.297 1.077 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3nccnc3N)CC2)cc1 ZINC001140008943 936667919 /nfs/dbraw/zinc/66/79/19/936667919.db2.gz YYWXFTMJHPESEA-UHFFFAOYSA-N 1 2 299.378 1.390 20 10 CDCDLO O=C1C[N@H+](Cc2ccc(Cl)cc2O)CCCN1 ZINC001140463290 936712614 /nfs/dbraw/zinc/71/26/14/936712614.db2.gz YTFZGAPDNACXKN-UHFFFAOYSA-N 1 2 254.717 1.368 20 10 CDCDLO O=C1C[N@@H+](Cc2ccc(Cl)cc2O)CCCN1 ZINC001140463290 936712615 /nfs/dbraw/zinc/71/26/15/936712615.db2.gz YTFZGAPDNACXKN-UHFFFAOYSA-N 1 2 254.717 1.368 20 10 CDCDLO C[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C[C@H]1O ZINC001140583089 936727513 /nfs/dbraw/zinc/72/75/13/936727513.db2.gz VZCSCUGKCLXTAC-AMIZOPFISA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C[C@H]1O ZINC001140583089 936727515 /nfs/dbraw/zinc/72/75/15/936727515.db2.gz VZCSCUGKCLXTAC-AMIZOPFISA-N 1 2 257.280 1.873 20 10 CDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2O)CCC1=O ZINC001140619570 936731549 /nfs/dbraw/zinc/73/15/49/936731549.db2.gz HXGLHDJGGIMYGM-ZDUSSCGKSA-N 1 2 291.347 1.655 20 10 CDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(C)ccc2O)CCC1=O ZINC001140619570 936731550 /nfs/dbraw/zinc/73/15/50/936731550.db2.gz HXGLHDJGGIMYGM-ZDUSSCGKSA-N 1 2 291.347 1.655 20 10 CDCDLO CCN(Cc1c(O)cc(OC)cc1OC)C1C[NH+](C)C1 ZINC001141030732 936794681 /nfs/dbraw/zinc/79/46/81/936794681.db2.gz IVSHSIRSFSVKHW-UHFFFAOYSA-N 1 2 280.368 1.545 20 10 CDCDLO [NH3+]C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843047116 937106230 /nfs/dbraw/zinc/10/62/30/937106230.db2.gz HKKOVYUARFGWCU-UHFFFAOYSA-N 1 2 285.731 1.877 20 10 CDCDLO CC[C@H]1C[N@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000854666506 928259641 /nfs/dbraw/zinc/25/96/41/928259641.db2.gz CBMSIKHBZDKLJV-VIFPVBQESA-N 1 2 254.355 1.620 20 10 CDCDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000854666506 928259654 /nfs/dbraw/zinc/25/96/54/928259654.db2.gz CBMSIKHBZDKLJV-VIFPVBQESA-N 1 2 254.355 1.620 20 10 CDCDLO C[C@H]([NH2+]C[C@H]1COCCN1)c1cc(F)cc(F)c1O ZINC000863544677 929568317 /nfs/dbraw/zinc/56/83/17/929568317.db2.gz BEENQJCWRIRBDK-WPRPVWTQSA-N 1 2 272.295 1.309 20 10 CDCDLO C[C@@H](CC(=O)NCc1ccccc1O)n1cc[nH+]c1 ZINC000845832280 931914525 /nfs/dbraw/zinc/91/45/25/931914525.db2.gz AJEFOBVJRRHIOJ-NSHDSACASA-N 1 2 259.309 1.856 20 10 CDCDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1=CC(=O)CS1 ZINC000779448998 934572937 /nfs/dbraw/zinc/57/29/37/934572937.db2.gz RZNMDVYFWOGDKE-MRVPVSSYSA-N 1 2 263.322 1.395 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001204328267 939756654 /nfs/dbraw/zinc/75/66/54/939756654.db2.gz FKNDHGGUXGLZOU-UHFFFAOYSA-N 1 2 262.353 1.892 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001204328267 939756656 /nfs/dbraw/zinc/75/66/56/939756656.db2.gz FKNDHGGUXGLZOU-UHFFFAOYSA-N 1 2 262.353 1.892 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001231849299 943027878 /nfs/dbraw/zinc/02/78/78/943027878.db2.gz RBITYKXJNNDJRG-QWHCGFSZSA-N 1 2 268.332 1.276 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001231849299 943027881 /nfs/dbraw/zinc/02/78/81/943027881.db2.gz RBITYKXJNNDJRG-QWHCGFSZSA-N 1 2 268.332 1.276 20 10 CDCDLO CC[N@H+](Cc1ccc(N(C)C)cc1OC)C1COC1 ZINC001231854085 943030648 /nfs/dbraw/zinc/03/06/48/943030648.db2.gz YTCFBFBIBIDGMS-UHFFFAOYSA-N 1 2 264.369 1.982 20 10 CDCDLO CC[N@@H+](Cc1ccc(N(C)C)cc1OC)C1COC1 ZINC001231854085 943030656 /nfs/dbraw/zinc/03/06/56/943030656.db2.gz YTCFBFBIBIDGMS-UHFFFAOYSA-N 1 2 264.369 1.982 20 10 CDCDLO CN1CC[N@H+](Cc2cc(Cl)c(O)cc2O)CCC1=O ZINC001232267013 943197748 /nfs/dbraw/zinc/19/77/48/943197748.db2.gz HMWQGTKTZSNJDK-UHFFFAOYSA-N 1 2 284.743 1.415 20 10 CDCDLO CN1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)CCC1=O ZINC001232267013 943197750 /nfs/dbraw/zinc/19/77/50/943197750.db2.gz HMWQGTKTZSNJDK-UHFFFAOYSA-N 1 2 284.743 1.415 20 10 CDCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001235299491 944113586 /nfs/dbraw/zinc/11/35/86/944113586.db2.gz VHHLOYLYJLNLGA-SECBINFHSA-N 1 2 290.132 1.860 20 10 CDCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001235299491 944113589 /nfs/dbraw/zinc/11/35/89/944113589.db2.gz VHHLOYLYJLNLGA-SECBINFHSA-N 1 2 290.132 1.860 20 10 CDCDLO Cc1cccc(C[N@@H+]2CCn3cnc(CO)c3C2)c1O ZINC001235502709 944177147 /nfs/dbraw/zinc/17/71/47/944177147.db2.gz VOYXENPYETYSMR-UHFFFAOYSA-N 1 2 273.336 1.405 20 10 CDCDLO Cc1cccc(C[N@H+]2CCn3cnc(CO)c3C2)c1O ZINC001235502709 944177150 /nfs/dbraw/zinc/17/71/50/944177150.db2.gz VOYXENPYETYSMR-UHFFFAOYSA-N 1 2 273.336 1.405 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC001335332474 954604196 /nfs/dbraw/zinc/60/41/96/954604196.db2.gz VHSPQCJRTSBEGS-NSHDSACASA-N 1 2 259.309 1.775 20 10 CDCDLO COC(=O)NC1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC001330867967 956674224 /nfs/dbraw/zinc/67/42/24/956674224.db2.gz RHLKVWQQLYNBFL-UHFFFAOYSA-N 1 2 263.341 1.293 20 10 CDCDLO CCc1cccc(C[NH2+]Cc2nnn(C(C)(C)C)n2)c1O ZINC000848923670 969356377 /nfs/dbraw/zinc/35/63/77/969356377.db2.gz OSUYTINXVVWORY-UHFFFAOYSA-N 1 2 289.383 1.986 20 10 CDCDLO COC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000072952761 291082019 /nfs/dbraw/zinc/08/20/19/291082019.db2.gz ZNDJHEPVZMZRKK-ZDUSSCGKSA-N 1 2 279.336 1.546 20 10 CDCDLO COC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000072952761 291082020 /nfs/dbraw/zinc/08/20/20/291082020.db2.gz ZNDJHEPVZMZRKK-ZDUSSCGKSA-N 1 2 279.336 1.546 20 10 CDCDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271172606 364959259 /nfs/dbraw/zinc/95/92/59/364959259.db2.gz AIDZQQHTKHPOGM-OAHLLOKOSA-N 1 2 298.333 1.979 20 10 CDCDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271172606 364959266 /nfs/dbraw/zinc/95/92/66/364959266.db2.gz AIDZQQHTKHPOGM-OAHLLOKOSA-N 1 2 298.333 1.979 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000272250735 365153649 /nfs/dbraw/zinc/15/36/49/365153649.db2.gz IJIVNBLORZYQCF-NSHDSACASA-N 1 2 253.273 1.669 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000272250735 365153651 /nfs/dbraw/zinc/15/36/51/365153651.db2.gz IJIVNBLORZYQCF-NSHDSACASA-N 1 2 253.273 1.669 20 10 CDCDLO CC(C)[C@@H](NC(=O)c1cccc(O)c1O)c1[nH]cc[nH+]1 ZINC000283035929 368157414 /nfs/dbraw/zinc/15/74/14/368157414.db2.gz OZHAUAMBBHKBMA-LLVKDONJSA-N 1 2 275.308 1.948 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000093458166 390902790 /nfs/dbraw/zinc/90/27/90/390902790.db2.gz QQGCYVOTUSICNL-HNNXBMFYSA-N 1 2 292.379 1.517 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000093458166 390902793 /nfs/dbraw/zinc/90/27/93/390902793.db2.gz QQGCYVOTUSICNL-HNNXBMFYSA-N 1 2 292.379 1.517 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(F)c(F)c1O ZINC000276935609 328220396 /nfs/dbraw/zinc/22/03/96/328220396.db2.gz OXWAGERGUNSWFR-SFYZADRCSA-N 1 2 270.279 1.552 20 10 CDCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000275639456 326943891 /nfs/dbraw/zinc/94/38/91/326943891.db2.gz CJIAPHCZCZWKNF-ZJUUUORDSA-N 1 2 276.340 1.941 20 10 CDCDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000050154508 521751240 /nfs/dbraw/zinc/75/12/40/521751240.db2.gz JQKBUVULTMUUPW-CYBMUJFWSA-N 1 2 294.326 1.444 20 10 CDCDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000050154508 521751247 /nfs/dbraw/zinc/75/12/47/521751247.db2.gz JQKBUVULTMUUPW-CYBMUJFWSA-N 1 2 294.326 1.444 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000127213296 523301711 /nfs/dbraw/zinc/30/17/11/523301711.db2.gz JVBYRAZONWMEDA-SNVBAGLBSA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000127213296 523301720 /nfs/dbraw/zinc/30/17/20/523301720.db2.gz JVBYRAZONWMEDA-SNVBAGLBSA-N 1 2 299.754 1.810 20 10 CDCDLO COc1cccc(CNC(=O)CCc2c[nH+]cn2C)c1O ZINC000279848494 525967957 /nfs/dbraw/zinc/96/79/57/525967957.db2.gz JWWYXDMRJFZIDD-UHFFFAOYSA-N 1 2 289.335 1.383 20 10 CDCDLO Cc1[nH]c(C(=O)NCCc2ccc(O)c(O)c2)c[nH+]1 ZINC000762267946 576636166 /nfs/dbraw/zinc/63/61/66/576636166.db2.gz XHAIOWIRNMYDPF-UHFFFAOYSA-N 1 2 261.281 1.102 20 10 CDCDLO CC(=O)NCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756371833 576987385 /nfs/dbraw/zinc/98/73/85/576987385.db2.gz NRPCFNFQLWLLDU-QMMMGPOBSA-N 1 2 272.295 1.847 20 10 CDCDLO COc1cccc(O)c1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000758505023 577112331 /nfs/dbraw/zinc/11/23/31/577112331.db2.gz KEJHZZPZVISVOA-NSHDSACASA-N 1 2 273.336 1.771 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000869412113 1165061462 /nfs/dbraw/zinc/06/14/62/1165061462.db2.gz ZDZSLUUGXUGPEU-IHWYPQMZSA-N 1 2 290.363 1.205 20 10 CDCDLO C[C@@H]([NH2+]CC(=O)N=[S@](C)(=O)N(C)C)c1ccccc1O ZINC000879650119 1166392786 /nfs/dbraw/zinc/39/27/86/1166392786.db2.gz JQPNDOSDOKHMKJ-SBKAZYGRSA-N 1 2 299.396 1.144 20 10 CDCDLO COc1ccc(O)c(CNc2[nH+]cnc3c2cnn3C)c1 ZINC000172241503 912321067 /nfs/dbraw/zinc/32/10/67/912321067.db2.gz FKWHLHUFRRCEDO-UHFFFAOYSA-N 1 2 285.307 1.690 20 10 CDCDLO O=C(/C=C/c1ccc(O)c(O)c1)NCCCn1cc[nH+]c1 ZINC000180585343 899495251 /nfs/dbraw/zinc/49/52/51/899495251.db2.gz YRJIZVIUVFCIRN-HWKANZROSA-N 1 2 287.319 1.514 20 10 CDCDLO CN1CC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000712579584 909569222 /nfs/dbraw/zinc/56/92/22/909569222.db2.gz LEVQPFALOSCYDM-JTQLQIEISA-N 1 2 285.185 1.948 20 10 CDCDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(F)c1O ZINC001138123677 936473464 /nfs/dbraw/zinc/47/34/64/936473464.db2.gz GPMNMGKQNVLEBD-GDLCADMTSA-N 1 2 281.327 1.503 20 10 CDCDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(F)c1O ZINC001138123677 936473465 /nfs/dbraw/zinc/47/34/65/936473465.db2.gz GPMNMGKQNVLEBD-GDLCADMTSA-N 1 2 281.327 1.503 20 10 CDCDLO C[C@H]1CN(C2C[NH+](Cc3cccc(F)c3O)C2)C[C@H](C)O1 ZINC001138130569 936475522 /nfs/dbraw/zinc/47/55/22/936475522.db2.gz CTGMSABKUVTYJR-RYUDHWBXSA-N 1 2 294.370 1.825 20 10 CDCDLO CN1C(=O)COCC12C[NH+](Cc1c(O)cccc1Cl)C2 ZINC001273108635 922014942 /nfs/dbraw/zinc/01/49/42/922014942.db2.gz WPXPVWZSNMZAMF-UHFFFAOYSA-N 1 2 296.754 1.089 20 10 CDCDLO CC[N@H+](Cc1c(O)cc(OC)cc1OC)[C@@H](C)C(=O)OC ZINC001141032842 936795454 /nfs/dbraw/zinc/79/54/54/936795454.db2.gz OTTYUZQPRQGNMC-JTQLQIEISA-N 1 2 297.351 1.793 20 10 CDCDLO CC[N@@H+](Cc1c(O)cc(OC)cc1OC)[C@@H](C)C(=O)OC ZINC001141032842 936795455 /nfs/dbraw/zinc/79/54/55/936795455.db2.gz OTTYUZQPRQGNMC-JTQLQIEISA-N 1 2 297.351 1.793 20 10 CDCDLO C[N@H+](Cc1c(O)cccc1F)C1CCS(=O)(=O)CC1 ZINC001137838532 923030717 /nfs/dbraw/zinc/03/07/17/923030717.db2.gz CAMFSDJXCRDYMJ-UHFFFAOYSA-N 1 2 287.356 1.540 20 10 CDCDLO C[N@@H+](Cc1c(O)cccc1F)C1CCS(=O)(=O)CC1 ZINC001137838532 923030729 /nfs/dbraw/zinc/03/07/29/923030729.db2.gz CAMFSDJXCRDYMJ-UHFFFAOYSA-N 1 2 287.356 1.540 20 10 CDCDLO CN1CCOc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)ccc21 ZINC001141145617 936820122 /nfs/dbraw/zinc/82/01/22/936820122.db2.gz DUQMICIZMWIZFG-ZIAGYGMSSA-N 1 2 274.364 1.878 20 10 CDCDLO CN1CCOc2cc(C[N@H+]3C[C@H]4CC[C@@H]3CO4)ccc21 ZINC001141145617 936820124 /nfs/dbraw/zinc/82/01/24/936820124.db2.gz DUQMICIZMWIZFG-ZIAGYGMSSA-N 1 2 274.364 1.878 20 10 CDCDLO COCc1noc2c1C[N@H+](Cc1cc(O)ccc1O)CC2 ZINC001141159457 936822580 /nfs/dbraw/zinc/82/25/80/936822580.db2.gz DMMAHTDXEOELAW-UHFFFAOYSA-N 1 2 290.319 1.791 20 10 CDCDLO COCc1noc2c1C[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001141159457 936822582 /nfs/dbraw/zinc/82/25/82/936822582.db2.gz DMMAHTDXEOELAW-UHFFFAOYSA-N 1 2 290.319 1.791 20 10 CDCDLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775736295 924956448 /nfs/dbraw/zinc/95/64/48/924956448.db2.gz BPLQFQCRKSSKDT-QMMMGPOBSA-N 1 2 288.750 1.999 20 10 CDCDLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775736295 924956453 /nfs/dbraw/zinc/95/64/53/924956453.db2.gz BPLQFQCRKSSKDT-QMMMGPOBSA-N 1 2 288.750 1.999 20 10 CDCDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142530992 937028165 /nfs/dbraw/zinc/02/81/65/937028165.db2.gz NIUYQOYCWDOVFK-LBPRGKRZSA-N 1 2 284.306 1.771 20 10 CDCDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142530992 937028167 /nfs/dbraw/zinc/02/81/67/937028167.db2.gz NIUYQOYCWDOVFK-LBPRGKRZSA-N 1 2 284.306 1.771 20 10 CDCDLO CCOc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)c(O)c1 ZINC000824910241 931484944 /nfs/dbraw/zinc/48/49/44/931484944.db2.gz UCXRSPYNWVELQY-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(O)c1 ZINC000824910241 931484946 /nfs/dbraw/zinc/48/49/46/931484946.db2.gz UCXRSPYNWVELQY-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO COc1cccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1O ZINC000845832619 931914152 /nfs/dbraw/zinc/91/41/52/931914152.db2.gz FKJXYPOPFPTCPP-LLVKDONJSA-N 1 2 289.335 1.865 20 10 CDCDLO O=C(NCc1ccccc1O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777667843 933112630 /nfs/dbraw/zinc/11/26/30/933112630.db2.gz KQPPPHDDXLBEPN-LBPRGKRZSA-N 1 2 286.335 1.403 20 10 CDCDLO O=C([O-])c1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)c(O)c1 ZINC001231452568 942895752 /nfs/dbraw/zinc/89/57/52/942895752.db2.gz CKEDTROKYKTAQO-UHFFFAOYSA-N 1 2 290.363 1.761 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cc1Cl ZINC001232266939 943197156 /nfs/dbraw/zinc/19/71/56/943197156.db2.gz SXBPRLBVCYUNDX-UWVGGRQHSA-N 1 2 289.734 1.959 20 10 CDCDLO COc1cc(O)c(C[N@H+]2C[C@@H](F)C[C@H]2CO)cc1Cl ZINC001232266939 943197163 /nfs/dbraw/zinc/19/71/63/943197163.db2.gz SXBPRLBVCYUNDX-UWVGGRQHSA-N 1 2 289.734 1.959 20 10 CDCDLO O=C([O-])c1ccc(O)c(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235121791 944061299 /nfs/dbraw/zinc/06/12/99/944061299.db2.gz ZNRBYWSALARDPT-INIZCTEOSA-N 1 2 290.363 1.808 20 10 CDCDLO O=C([O-])c1ccc(O)c(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235121791 944061306 /nfs/dbraw/zinc/06/13/06/944061306.db2.gz ZNRBYWSALARDPT-INIZCTEOSA-N 1 2 290.363 1.808 20 10 CDCDLO COc1ccc(C[NH+]2CC(C(=O)N(C)C)C2)c(O)c1Cl ZINC001236812451 944577794 /nfs/dbraw/zinc/57/77/94/944577794.db2.gz WCPIRRPFTWLHAP-UHFFFAOYSA-N 1 2 298.770 1.574 20 10 CDCDLO O=C1C[N@H+](Cc2cc3ccccc3cc2O)CCN1 ZINC001236841293 944590644 /nfs/dbraw/zinc/59/06/44/944590644.db2.gz YADZKCJNNDPOBJ-UHFFFAOYSA-N 1 2 256.305 1.477 20 10 CDCDLO O=C1C[N@@H+](Cc2cc3ccccc3cc2O)CCN1 ZINC001236841293 944590652 /nfs/dbraw/zinc/59/06/52/944590652.db2.gz YADZKCJNNDPOBJ-UHFFFAOYSA-N 1 2 256.305 1.477 20 10 CDCDLO O=C1NCC[C@@]12CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237799950 944954579 /nfs/dbraw/zinc/95/45/79/944954579.db2.gz LBGXVCVJBFQBKG-AWEZNQCLSA-N 1 2 298.745 1.897 20 10 CDCDLO O=C1NCC[C@@]12CC[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237799950 944954586 /nfs/dbraw/zinc/95/45/86/944954586.db2.gz LBGXVCVJBFQBKG-AWEZNQCLSA-N 1 2 298.745 1.897 20 10 CDCDLO COC[C@@H]1COCC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238066081 945048678 /nfs/dbraw/zinc/04/86/78/945048678.db2.gz HQJMJJWFKJHMGY-CYBMUJFWSA-N 1 2 269.316 1.687 20 10 CDCDLO COC[C@@H]1COCC[N@H+]1Cc1cc(F)cc(C)c1O ZINC001238066081 945048691 /nfs/dbraw/zinc/04/86/91/945048691.db2.gz HQJMJJWFKJHMGY-CYBMUJFWSA-N 1 2 269.316 1.687 20 10 CDCDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001308691335 956565677 /nfs/dbraw/zinc/56/56/77/956565677.db2.gz BQQZRDAOECFHET-PWZJLYFZSA-N 1 2 296.317 1.756 20 10 CDCDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(F)c(F)cc1O ZINC001308691335 956565688 /nfs/dbraw/zinc/56/56/88/956565688.db2.gz BQQZRDAOECFHET-PWZJLYFZSA-N 1 2 296.317 1.756 20 10 CDCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001335289579 959687224 /nfs/dbraw/zinc/68/72/24/959687224.db2.gz PATGALVOQDQYPM-UONOGXRCSA-N 1 2 278.352 1.421 20 10 CDCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N)cc1 ZINC001335289579 959687234 /nfs/dbraw/zinc/68/72/34/959687234.db2.gz PATGALVOQDQYPM-UONOGXRCSA-N 1 2 278.352 1.421 20 10 CDCDLO COc1cccc(C[NH2+]Cc2nnn(C(C)(C)C)n2)c1O ZINC000848564776 969175465 /nfs/dbraw/zinc/17/54/65/969175465.db2.gz IBJZXYNQVGXHER-UHFFFAOYSA-N 1 2 291.355 1.432 20 10 CDCDLO CCc1cccc(C[N@@H+]2CCN(CCOC)C(=O)C2)c1O ZINC000848901248 969342897 /nfs/dbraw/zinc/34/28/97/969342897.db2.gz QEYVGBUHHDTEQM-UHFFFAOYSA-N 1 2 292.379 1.245 20 10 CDCDLO CCc1cccc(C[N@H+]2CCN(CCOC)C(=O)C2)c1O ZINC000848901248 969342903 /nfs/dbraw/zinc/34/29/03/969342903.db2.gz QEYVGBUHHDTEQM-UHFFFAOYSA-N 1 2 292.379 1.245 20 10 CDCDLO Cn1nnc2c1CC[C@H]([NH2+]Cc1cccc(Cl)c1O)C2 ZINC000848926724 969357902 /nfs/dbraw/zinc/35/79/02/969357902.db2.gz XFKLBUHUNVIOPZ-JTQLQIEISA-N 1 2 292.770 1.821 20 10 CDCDLO Oc1c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)ccc(F)c1F ZINC000876619062 970033875 /nfs/dbraw/zinc/03/38/75/970033875.db2.gz NNIJMOSNYQIJQP-LBPRGKRZSA-N 1 2 298.333 1.577 20 10 CDCDLO Oc1c(C[N@H+]2CC[C@H](N3CCOCC3)C2)ccc(F)c1F ZINC000876619062 970033880 /nfs/dbraw/zinc/03/38/80/970033880.db2.gz NNIJMOSNYQIJQP-LBPRGKRZSA-N 1 2 298.333 1.577 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@H](O)Cc2ccccc21 ZINC000492870957 366184323 /nfs/dbraw/zinc/18/43/23/366184323.db2.gz WQZJPTQCHHZBLQ-URWSZGRFSA-N 1 2 269.304 1.373 20 10 CDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000188787910 357937092 /nfs/dbraw/zinc/93/70/92/357937092.db2.gz YPGUNYQQPGBQBA-QWHCGFSZSA-N 1 2 283.299 1.030 20 10 CDCDLO COC(=O)[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000193094500 358264145 /nfs/dbraw/zinc/26/41/45/358264145.db2.gz ALLFRXPECZIWES-SSDOTTSWSA-N 1 2 288.141 1.806 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1cc(OC)ccc1O ZINC000271873358 365002858 /nfs/dbraw/zinc/00/28/58/365002858.db2.gz SPZVSXUQTBQHKM-UHFFFAOYSA-N 1 2 283.324 1.022 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1cc(OC)ccc1O ZINC000271873358 365002861 /nfs/dbraw/zinc/00/28/61/365002861.db2.gz SPZVSXUQTBQHKM-UHFFFAOYSA-N 1 2 283.324 1.022 20 10 CDCDLO CCCNC(=O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273425731 365495208 /nfs/dbraw/zinc/49/52/08/365495208.db2.gz TZXTUQOKJYKKPA-VIFPVBQESA-N 1 2 281.312 1.477 20 10 CDCDLO O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001580875868 1172558135 /nfs/dbraw/zinc/55/81/35/1172558135.db2.gz SXRNAHOFNUXXKL-JTQLQIEISA-N 1 2 251.286 1.142 20 10 CDCDLO CNC(=O)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276919545 263038545 /nfs/dbraw/zinc/03/85/45/263038545.db2.gz MHWZOARKYQGBFB-QMMMGPOBSA-N 1 2 272.295 1.847 20 10 CDCDLO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000276885442 328219797 /nfs/dbraw/zinc/21/97/97/328219797.db2.gz GQENYVDEKDBZGY-PELKAZGASA-N 1 2 297.305 1.788 20 10 CDCDLO O=C(NCc1ccccc1O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000725895307 574459294 /nfs/dbraw/zinc/45/92/94/574459294.db2.gz DBUCSVASLRHRQP-UHFFFAOYSA-N 1 2 295.302 1.298 20 10 CDCDLO CC(C)[C@H](CNC(=O)C1=CC(=O)CS1)[NH+]1CCOCC1 ZINC000731867447 575068454 /nfs/dbraw/zinc/06/84/54/575068454.db2.gz KRDYRXIGNRFAOC-LBPRGKRZSA-N 1 2 298.408 1.540 20 10 CDCDLO COc1c(O)c(C[NH2+]Cc2cc(C)on2)ccc1[N+](=O)[O-] ZINC000774986634 575258946 /nfs/dbraw/zinc/25/89/46/575258946.db2.gz SDJOARVLNSCOAR-UHFFFAOYSA-N 1 2 293.279 1.895 20 10 CDCDLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770352539 575440336 /nfs/dbraw/zinc/44/03/36/575440336.db2.gz OWVVWOCOQJAGHR-AAEUAGOBSA-N 1 2 282.359 1.473 20 10 CDCDLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770352539 575440340 /nfs/dbraw/zinc/44/03/40/575440340.db2.gz OWVVWOCOQJAGHR-AAEUAGOBSA-N 1 2 282.359 1.473 20 10 CDCDLO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(F)cc(F)c1O ZINC000756568397 576996314 /nfs/dbraw/zinc/99/63/14/576996314.db2.gz DRTQIKDJKYSATF-PWSUYJOCSA-N 1 2 299.365 1.567 20 10 CDCDLO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCC[NH2+]C2)c1[O-] ZINC000841041684 618677102 /nfs/dbraw/zinc/67/71/02/618677102.db2.gz DVDMQZIYQUXLQC-SNVBAGLBSA-N 1 2 285.731 1.795 20 10 CDCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1=O ZINC000127214904 1166211716 /nfs/dbraw/zinc/21/17/16/1166211716.db2.gz QURKTENFWNTHAW-OAHLLOKOSA-N 1 2 290.363 1.271 20 10 CDCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1=O ZINC000127214904 1166211720 /nfs/dbraw/zinc/21/17/20/1166211720.db2.gz QURKTENFWNTHAW-OAHLLOKOSA-N 1 2 290.363 1.271 20 10 CDCDLO C[C@H]([NH2+]CC1(O)CCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978157 1173219509 /nfs/dbraw/zinc/21/95/09/1173219509.db2.gz LNLUQVXIUNGNQP-VIFPVBQESA-N 1 2 289.339 1.138 20 10 CDCDLO O=C1C[N@H+](Cc2cccc(F)c2O)C[C@H]2CCCN12 ZINC001138128510 936475555 /nfs/dbraw/zinc/47/55/55/936475555.db2.gz OPBKMFVAPSQRRE-LLVKDONJSA-N 1 2 264.300 1.338 20 10 CDCDLO O=C1C[N@@H+](Cc2cccc(F)c2O)C[C@H]2CCCN12 ZINC001138128510 936475557 /nfs/dbraw/zinc/47/55/57/936475557.db2.gz OPBKMFVAPSQRRE-LLVKDONJSA-N 1 2 264.300 1.338 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@](C)(O)C1 ZINC001139125157 936599752 /nfs/dbraw/zinc/59/97/52/936599752.db2.gz NTSRVBAPZIPTOE-INIZCTEOSA-N 1 2 289.331 1.764 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@](C)(O)C1 ZINC001139125157 936599754 /nfs/dbraw/zinc/59/97/54/936599754.db2.gz NTSRVBAPZIPTOE-INIZCTEOSA-N 1 2 289.331 1.764 20 10 CDCDLO COc1ncnc2c1CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140055117 936674489 /nfs/dbraw/zinc/67/44/89/936674489.db2.gz JUHSELNJOAAOPG-UHFFFAOYSA-N 1 2 289.310 1.888 20 10 CDCDLO COc1ncnc2c1CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140055117 936674490 /nfs/dbraw/zinc/67/44/90/936674490.db2.gz JUHSELNJOAAOPG-UHFFFAOYSA-N 1 2 289.310 1.888 20 10 CDCDLO COC[C@@H]1COCC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140341747 936703407 /nfs/dbraw/zinc/70/34/07/936703407.db2.gz FXVLEROGCIVGQY-SNVBAGLBSA-N 1 2 271.744 1.893 20 10 CDCDLO COC[C@@H]1COCC[N@H+]1Cc1c(O)cccc1Cl ZINC001140341747 936703408 /nfs/dbraw/zinc/70/34/08/936703408.db2.gz FXVLEROGCIVGQY-SNVBAGLBSA-N 1 2 271.744 1.893 20 10 CDCDLO C[NH+](C)C[C@@H]1COCCN1Cc1c(O)cc(F)cc1F ZINC001140583996 936727504 /nfs/dbraw/zinc/72/75/04/936727504.db2.gz BMAYYGFCWJUXBC-LLVKDONJSA-N 1 2 286.322 1.433 20 10 CDCDLO Cn1c[nH+]c2c1CCN(Cc1ccc3c(c1)OCCN3C)C2 ZINC001141144140 936819397 /nfs/dbraw/zinc/81/93/97/936819397.db2.gz ATJWXOBJCPKHRI-UHFFFAOYSA-N 1 2 298.390 1.807 20 10 CDCDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1c(F)ccc(O)c1O ZINC000857962116 928783341 /nfs/dbraw/zinc/78/33/41/928783341.db2.gz IUFAHWPFJRXJIP-MRVPVSSYSA-N 1 2 291.282 1.178 20 10 CDCDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001120677687 937824705 /nfs/dbraw/zinc/82/47/05/937824705.db2.gz WVMOOCSUBBAVKH-ZDUSSCGKSA-N 1 2 299.378 1.701 20 10 CDCDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204326334 939755384 /nfs/dbraw/zinc/75/53/84/939755384.db2.gz FZWDHHDAKVARED-CYBMUJFWSA-N 1 2 273.380 1.607 20 10 CDCDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204326334 939755387 /nfs/dbraw/zinc/75/53/87/939755387.db2.gz FZWDHHDAKVARED-CYBMUJFWSA-N 1 2 273.380 1.607 20 10 CDCDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1Cl ZINC001276527101 940184909 /nfs/dbraw/zinc/18/49/09/940184909.db2.gz FAHJJRIZHHTWIC-DTORHVGOSA-N 1 2 296.754 1.670 20 10 CDCDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1Cl ZINC001276527101 940184910 /nfs/dbraw/zinc/18/49/10/940184910.db2.gz FAHJJRIZHHTWIC-DTORHVGOSA-N 1 2 296.754 1.670 20 10 CDCDLO CC(=O)N1CCN(c2ccc(OC3C[NH+](C)C3)cc2)CC1 ZINC001228206156 942280624 /nfs/dbraw/zinc/28/06/24/942280624.db2.gz UGHHWRIOXWBPPQ-UHFFFAOYSA-N 1 2 289.379 1.048 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@H]1O ZINC001237804784 944959013 /nfs/dbraw/zinc/95/90/13/944959013.db2.gz GKHISTOUQQYFKQ-JOYOIKCWSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@H]1O ZINC001237804784 944959018 /nfs/dbraw/zinc/95/90/18/944959018.db2.gz GKHISTOUQQYFKQ-JOYOIKCWSA-N 1 2 289.734 1.360 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(C(=O)[O-])ccc1O ZINC001593353768 994983643 /nfs/dbraw/zinc/98/36/43/994983643.db2.gz DBKPRDPVMJEFAI-GXSJLCMTSA-N 1 2 264.325 1.493 20 10 CDCDLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000364326685 358197941 /nfs/dbraw/zinc/19/79/41/358197941.db2.gz VLZBJIQRBMABSZ-VHSXEESVSA-N 1 2 292.162 1.627 20 10 CDCDLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000364326685 358197947 /nfs/dbraw/zinc/19/79/47/358197947.db2.gz VLZBJIQRBMABSZ-VHSXEESVSA-N 1 2 292.162 1.627 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]CCN1CCC(O)CC1 ZINC000294723781 199152799 /nfs/dbraw/zinc/15/27/99/199152799.db2.gz BBTMEQJSSWJTHB-UHFFFAOYSA-N 1 2 284.787 1.592 20 10 CDCDLO C[C@H]([NH2+]CCCOCCO)c1ccc(F)c(F)c1O ZINC000187910278 299294970 /nfs/dbraw/zinc/29/49/70/299294970.db2.gz ZHFRSTJKDZKMRS-VIFPVBQESA-N 1 2 275.295 1.720 20 10 CDCDLO O=C1NCCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000124697314 360391563 /nfs/dbraw/zinc/39/15/63/360391563.db2.gz KWIYSYOKMSDLHF-NSHDSACASA-N 1 2 268.744 1.804 20 10 CDCDLO CCN1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000159457795 364211424 /nfs/dbraw/zinc/21/14/24/364211424.db2.gz PYUZDFFUPOVUGF-UHFFFAOYSA-N 1 2 280.368 1.547 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CC(=O)NCC2(C)C)c1O ZINC000282886936 368085926 /nfs/dbraw/zinc/08/59/26/368085926.db2.gz YYFPOMBHEPLXPX-UHFFFAOYSA-N 1 2 278.352 1.501 20 10 CDCDLO CCOc1cccc(C[N@H+]2CC(=O)NCC2(C)C)c1O ZINC000282886936 368085931 /nfs/dbraw/zinc/08/59/31/368085931.db2.gz YYFPOMBHEPLXPX-UHFFFAOYSA-N 1 2 278.352 1.501 20 10 CDCDLO CCOC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000529664830 368087107 /nfs/dbraw/zinc/08/71/07/368087107.db2.gz DYNQSYOXTJQTSO-CYBMUJFWSA-N 1 2 269.316 1.769 20 10 CDCDLO CCOC[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000529664830 368087111 /nfs/dbraw/zinc/08/71/11/368087111.db2.gz DYNQSYOXTJQTSO-CYBMUJFWSA-N 1 2 269.316 1.769 20 10 CDCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC(=O)N1 ZINC000294685811 378642515 /nfs/dbraw/zinc/64/25/15/378642515.db2.gz AHMYTNRIRVDGAI-AWEZNQCLSA-N 1 2 287.407 1.997 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC(=O)N1 ZINC000294685811 378642519 /nfs/dbraw/zinc/64/25/19/378642519.db2.gz AHMYTNRIRVDGAI-AWEZNQCLSA-N 1 2 287.407 1.997 20 10 CDCDLO Cc1nnc2n1CC[N@@H+](Cc1cc(C)ccc1O)C2 ZINC000371377608 267397877 /nfs/dbraw/zinc/39/78/77/267397877.db2.gz DIDOFNNMINARIF-UHFFFAOYSA-N 1 2 258.325 1.616 20 10 CDCDLO Cc1nnc2n1CC[N@H+](Cc1cc(C)ccc1O)C2 ZINC000371377608 267397879 /nfs/dbraw/zinc/39/78/79/267397879.db2.gz DIDOFNNMINARIF-UHFFFAOYSA-N 1 2 258.325 1.616 20 10 CDCDLO Nc1ccc(CC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000165254549 328480301 /nfs/dbraw/zinc/48/03/01/328480301.db2.gz XTOGKRZPKPPCCZ-UHFFFAOYSA-N 1 2 298.390 1.703 20 10 CDCDLO CCOC(=O)[C@@H](C)[NH2+]Cc1cc(OCC)ccc1O ZINC000763277419 576728429 /nfs/dbraw/zinc/72/84/29/576728429.db2.gz MRMJNLHDXMRRPO-SNVBAGLBSA-N 1 2 267.325 1.832 20 10 CDCDLO O=C([O-])[C@@H]1C[NH2+]CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC001601852333 1175037252 /nfs/dbraw/zinc/03/72/52/1175037252.db2.gz FHTUAYMUVJKRBO-NSHDSACASA-N 1 2 284.743 1.294 20 10 CDCDLO O=C([O-])[C@@H]1C[NH2+]CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC001601852333 1175037261 /nfs/dbraw/zinc/03/72/61/1175037261.db2.gz FHTUAYMUVJKRBO-NSHDSACASA-N 1 2 284.743 1.294 20 10 CDCDLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000862539817 620736429 /nfs/dbraw/zinc/73/64/29/620736429.db2.gz WBQZKCTWIDBENB-ZETCQYMHSA-N 1 2 290.722 1.683 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](OC)C2)c1O ZINC000895971078 619929260 /nfs/dbraw/zinc/92/92/60/619929260.db2.gz WVUICKYYWOOOOL-CYBMUJFWSA-N 1 2 267.325 1.596 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCO[C@@H](OC)C2)c1O ZINC000895971078 619929263 /nfs/dbraw/zinc/92/92/63/619929263.db2.gz WVUICKYYWOOOOL-CYBMUJFWSA-N 1 2 267.325 1.596 20 10 CDCDLO COC(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000387335317 679681113 /nfs/dbraw/zinc/68/11/13/679681113.db2.gz PBRKKLUPAYZBKE-UHFFFAOYSA-N 1 2 284.743 1.930 20 10 CDCDLO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1c(O)cccc1F ZINC000886557304 679372763 /nfs/dbraw/zinc/37/27/63/679372763.db2.gz XWQBVCQPTIUQOZ-SKDRFNHKSA-N 1 2 279.315 1.649 20 10 CDCDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000832431541 679413035 /nfs/dbraw/zinc/41/30/35/679413035.db2.gz QIXFJDKXQUIBPA-NSHDSACASA-N 1 2 272.352 1.896 20 10 CDCDLO COCC(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000128688337 679543456 /nfs/dbraw/zinc/54/34/56/679543456.db2.gz SVBVIVTVUCARDF-UHFFFAOYSA-N 1 2 298.770 1.336 20 10 CDCDLO C[C@H]1[NH2+]CCC[C@H]1NCc1cc(F)cc(F)c1O ZINC001579499571 1172199233 /nfs/dbraw/zinc/19/92/33/1172199233.db2.gz TTZRUFGBXIANPD-PRHODGIISA-N 1 2 256.296 1.901 20 10 CDCDLO Oc1cccc(F)c1C[NH+]1CCN(C2COC2)CC1 ZINC001137831539 936416819 /nfs/dbraw/zinc/41/68/19/936416819.db2.gz DFJREUGVMBLLCU-UHFFFAOYSA-N 1 2 266.316 1.048 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]2C(=O)OC)c(O)c1 ZINC001140850682 936764312 /nfs/dbraw/zinc/76/43/12/936764312.db2.gz QQBFCAWANYXMBH-AWEZNQCLSA-N 1 2 292.379 1.986 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+]2CC[C@H]2C(=O)OC)c(O)c1 ZINC001140850682 936764313 /nfs/dbraw/zinc/76/43/13/936764313.db2.gz QQBFCAWANYXMBH-AWEZNQCLSA-N 1 2 292.379 1.986 20 10 CDCDLO CN1CC2(C1)C[NH+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141146232 936820282 /nfs/dbraw/zinc/82/02/82/936820282.db2.gz PHVQWZXZZDIPHD-UHFFFAOYSA-N 1 2 273.380 1.263 20 10 CDCDLO CCOC(=O)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159244 936822387 /nfs/dbraw/zinc/82/23/87/936822387.db2.gz DJQMPUAYKMXBAO-UHFFFAOYSA-N 1 2 280.324 1.372 20 10 CDCDLO CN1CCOc2cc(C[N@@H+]3CC[C@@H](O)[C@H](F)C3)ccc21 ZINC001141141328 936818461 /nfs/dbraw/zinc/81/84/61/936818461.db2.gz XAJNSGFGCYUOCA-TZMCWYRMSA-N 1 2 280.343 1.420 20 10 CDCDLO CN1CCOc2cc(C[N@H+]3CC[C@@H](O)[C@H](F)C3)ccc21 ZINC001141141328 936818463 /nfs/dbraw/zinc/81/84/63/936818463.db2.gz XAJNSGFGCYUOCA-TZMCWYRMSA-N 1 2 280.343 1.420 20 10 CDCDLO CN1C(=O)COCC12C[NH+](Cc1ccc(Cl)cc1O)C2 ZINC001273163773 923604228 /nfs/dbraw/zinc/60/42/28/923604228.db2.gz OXCMCYRAWWITNZ-UHFFFAOYSA-N 1 2 296.754 1.089 20 10 CDCDLO O=c1[nH]cc2[nH]c([NH2+]Cc3ccc(O)c(O)c3)ccc1-2 ZINC001169990103 928857394 /nfs/dbraw/zinc/85/73/94/928857394.db2.gz APDXXJZPFUWGIV-UHFFFAOYSA-N 1 2 271.276 1.348 20 10 CDCDLO O=C(Nc1cc[nH+]c2c1CCC2)c1cc(O)c(O)c(O)c1 ZINC001148582111 932750516 /nfs/dbraw/zinc/75/05/16/932750516.db2.gz XEOWRBKPWUCGHF-UHFFFAOYSA-N 1 2 286.287 1.361 20 10 CDCDLO Oc1ccc(C[NH+]2CCN(c3cncnc3)CC2)cc1O ZINC001203879311 939711003 /nfs/dbraw/zinc/71/10/03/939711003.db2.gz IEQAKMKFFJFPIE-UHFFFAOYSA-N 1 2 286.335 1.210 20 10 CDCDLO COc1cc(C[N@@H+]2CCCC3(C2)OCCO3)cc(O)c1O ZINC001204346429 939759360 /nfs/dbraw/zinc/75/93/60/939759360.db2.gz PEGLBXMBYHIVIG-UHFFFAOYSA-N 1 2 295.335 1.445 20 10 CDCDLO COc1cc(C[N@H+]2CCCC3(C2)OCCO3)cc(O)c1O ZINC001204346429 939759363 /nfs/dbraw/zinc/75/93/63/939759363.db2.gz PEGLBXMBYHIVIG-UHFFFAOYSA-N 1 2 295.335 1.445 20 10 CDCDLO Cc1cc(C)c(CN2CC[NH+](CCCO)CC2)c(O)c1 ZINC001231841406 943023565 /nfs/dbraw/zinc/02/35/65/943023565.db2.gz ASSSYFBXRXEVRE-UHFFFAOYSA-N 1 2 278.396 1.509 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001231853640 943031861 /nfs/dbraw/zinc/03/18/61/943031861.db2.gz NGJHBQKCDMCSIK-KBPBESRZSA-N 1 2 262.353 1.734 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001231853640 943031863 /nfs/dbraw/zinc/03/18/63/943031863.db2.gz NGJHBQKCDMCSIK-KBPBESRZSA-N 1 2 262.353 1.734 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232260867 943192883 /nfs/dbraw/zinc/19/28/83/943192883.db2.gz SFRUYRLNMMKIMG-IUCAKERBSA-N 1 2 275.707 1.656 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232260867 943192884 /nfs/dbraw/zinc/19/28/84/943192884.db2.gz SFRUYRLNMMKIMG-IUCAKERBSA-N 1 2 275.707 1.656 20 10 CDCDLO COCC[NH+]1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233332222 943547341 /nfs/dbraw/zinc/54/73/41/943547341.db2.gz CQNKQCJLCNKCNZ-UHFFFAOYSA-N 1 2 286.322 1.434 20 10 CDCDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233334945 943547907 /nfs/dbraw/zinc/54/79/07/943547907.db2.gz ANIPZGOVVODNFE-NSHDSACASA-N 1 2 284.306 1.723 20 10 CDCDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233334945 943547909 /nfs/dbraw/zinc/54/79/09/943547909.db2.gz ANIPZGOVVODNFE-NSHDSACASA-N 1 2 284.306 1.723 20 10 CDCDLO Cn1c[nH+]c2c1CCN(Cc1c(O)ccc(F)c1F)C2 ZINC001233335664 943548882 /nfs/dbraw/zinc/54/88/82/943548882.db2.gz GAOHWMROLZJPTB-UHFFFAOYSA-N 1 2 279.290 1.962 20 10 CDCDLO Cc1c(O)ccc(C[N@@H+]2CCn3cnc(CO)c3C2)c1O ZINC001235502512 944177590 /nfs/dbraw/zinc/17/75/90/944177590.db2.gz UJBDKUMKUMNZGG-UHFFFAOYSA-N 1 2 289.335 1.111 20 10 CDCDLO Cc1c(O)ccc(C[N@H+]2CCn3cnc(CO)c3C2)c1O ZINC001235502512 944177592 /nfs/dbraw/zinc/17/75/92/944177592.db2.gz UJBDKUMKUMNZGG-UHFFFAOYSA-N 1 2 289.335 1.111 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)C[C@@H]1O ZINC001236792066 944569994 /nfs/dbraw/zinc/56/99/94/944569994.db2.gz AYRNGDOKDACGBJ-UFBFGSQYSA-N 1 2 292.162 1.484 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C[C@@H]1O ZINC001236792066 944570002 /nfs/dbraw/zinc/57/00/02/944570002.db2.gz AYRNGDOKDACGBJ-UFBFGSQYSA-N 1 2 292.162 1.484 20 10 CDCDLO COc1cc(CN2CCn3c[nH+]cc3C2)c(O)c(OC)c1 ZINC001237677675 944921582 /nfs/dbraw/zinc/92/15/82/944921582.db2.gz GXHRFEUDRSFGJC-UHFFFAOYSA-N 1 2 289.335 1.622 20 10 CDCDLO NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237811044 944961710 /nfs/dbraw/zinc/96/17/10/944961710.db2.gz VFDBHVHYGNMZIG-QMMMGPOBSA-N 1 2 286.734 1.882 20 10 CDCDLO NC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237811044 944961715 /nfs/dbraw/zinc/96/17/15/944961715.db2.gz VFDBHVHYGNMZIG-QMMMGPOBSA-N 1 2 286.734 1.882 20 10 CDCDLO CCNC(=O)C[N@H+](C)Cc1cc(F)c(Cl)cc1O ZINC001237934225 945009820 /nfs/dbraw/zinc/00/98/20/945009820.db2.gz JDDRGTNERFQWER-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO CCNC(=O)C[N@@H+](C)Cc1cc(F)c(Cl)cc1O ZINC001237934225 945009828 /nfs/dbraw/zinc/00/98/28/945009828.db2.gz JDDRGTNERFQWER-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO CC(=O)N(C)C1C[NH+](Cc2cc(F)cc(C)c2O)C1 ZINC001238063344 945045527 /nfs/dbraw/zinc/04/55/27/945045527.db2.gz VTMSDQOXZOYFAF-UHFFFAOYSA-N 1 2 266.316 1.502 20 10 CDCDLO C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)n1cc[nH+]c1 ZINC001320794746 959395300 /nfs/dbraw/zinc/39/53/00/959395300.db2.gz WHRUEIWVDLLDDY-NSHDSACASA-N 1 2 290.342 1.966 20 10 CDCDLO CC(C)CN1CC[N@H+](Cc2ccc(N)cc2)CC1=O ZINC001336117555 960210997 /nfs/dbraw/zinc/21/09/97/960210997.db2.gz PDBSFFMSKPMOEH-UHFFFAOYSA-N 1 2 261.369 1.569 20 10 CDCDLO CC(C)CN1CC[N@@H+](Cc2ccc(N)cc2)CC1=O ZINC001336117555 960210999 /nfs/dbraw/zinc/21/09/99/960210999.db2.gz PDBSFFMSKPMOEH-UHFFFAOYSA-N 1 2 261.369 1.569 20 10 CDCDLO C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc(C(=O)[O-])ccc1O ZINC001593286440 994645264 /nfs/dbraw/zinc/64/52/64/994645264.db2.gz SVHNHXBYNFAEAL-CMPLNLGQSA-N 1 2 278.352 1.835 20 10 CDCDLO C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(C(=O)[O-])ccc1O ZINC001593286440 994645268 /nfs/dbraw/zinc/64/52/68/994645268.db2.gz SVHNHXBYNFAEAL-CMPLNLGQSA-N 1 2 278.352 1.835 20 10 CDCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC000179941064 357232017 /nfs/dbraw/zinc/23/20/17/357232017.db2.gz XSPVNQLLZJJSJI-NSHDSACASA-N 1 2 284.743 1.040 20 10 CDCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC000179941064 357232024 /nfs/dbraw/zinc/23/20/24/357232024.db2.gz XSPVNQLLZJJSJI-NSHDSACASA-N 1 2 284.743 1.040 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1cccc(OC)c1O)C1CC1 ZINC000091773126 358526344 /nfs/dbraw/zinc/52/63/44/358526344.db2.gz DEPPYVBIQGWXQP-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1cccc(OC)c1O)C1CC1 ZINC000091773126 358526347 /nfs/dbraw/zinc/52/63/47/358526347.db2.gz DEPPYVBIQGWXQP-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000271714520 364994246 /nfs/dbraw/zinc/99/42/46/364994246.db2.gz HYSKXZMIOBXXJL-UHFFFAOYSA-N 1 2 269.297 1.014 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000271714520 364994252 /nfs/dbraw/zinc/99/42/52/364994252.db2.gz HYSKXZMIOBXXJL-UHFFFAOYSA-N 1 2 269.297 1.014 20 10 CDCDLO C[C@H]([NH2+]CC1(C)OCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000273347127 365487344 /nfs/dbraw/zinc/48/73/44/365487344.db2.gz AZHXZQLQFZIRPY-VIFPVBQESA-N 1 2 282.296 1.714 20 10 CDCDLO C[N@H+](CCOCCO)Cc1cccc(Cl)c1O ZINC000282837828 368063310 /nfs/dbraw/zinc/06/33/10/368063310.db2.gz VHTRODQXRBURHN-UHFFFAOYSA-N 1 2 259.733 1.486 20 10 CDCDLO C[N@@H+](CCOCCO)Cc1cccc(Cl)c1O ZINC000282837828 368063314 /nfs/dbraw/zinc/06/33/14/368063314.db2.gz VHTRODQXRBURHN-UHFFFAOYSA-N 1 2 259.733 1.486 20 10 CDCDLO COc1ccc(N2CC[NH+](Cc3cc[nH]n3)CC2)cc1 ZINC000179531148 391209485 /nfs/dbraw/zinc/20/94/85/391209485.db2.gz QIACYIOKBZZNRX-UHFFFAOYSA-N 1 2 272.352 1.741 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1O ZINC000372638167 391859659 /nfs/dbraw/zinc/85/96/59/391859659.db2.gz IEXQYHODIQXGFG-MNOVXSKESA-N 1 2 289.734 1.959 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2C[C@H](F)C[C@H]2CO)c1O ZINC000372638167 391859663 /nfs/dbraw/zinc/85/96/63/391859663.db2.gz IEXQYHODIQXGFG-MNOVXSKESA-N 1 2 289.734 1.959 20 10 CDCDLO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591323933 1173610404 /nfs/dbraw/zinc/61/04/04/1173610404.db2.gz GMKMCCCSFZLUIB-AEJSXWLSSA-N 1 2 291.355 1.646 20 10 CDCDLO O=S1(=O)CC[C@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124683283 329572640 /nfs/dbraw/zinc/57/26/40/329572640.db2.gz MELKZVBDSMNTSW-SECBINFHSA-N 1 2 289.784 1.570 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071123984 520746030 /nfs/dbraw/zinc/74/60/30/520746030.db2.gz NSGBYWQIHAFFEM-UHFFFAOYSA-N 1 2 292.379 1.518 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071123984 520746037 /nfs/dbraw/zinc/74/60/37/520746037.db2.gz NSGBYWQIHAFFEM-UHFFFAOYSA-N 1 2 292.379 1.518 20 10 CDCDLO O=C(C1=CC(=O)CS1)N1CCN(c2cccc[nH+]2)CC1 ZINC000731864301 575066283 /nfs/dbraw/zinc/06/62/83/575066283.db2.gz UAHZRCAXZIWBFR-UHFFFAOYSA-N 1 2 289.360 1.811 20 10 CDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000769467258 576356647 /nfs/dbraw/zinc/35/66/47/576356647.db2.gz OGPJRRLQFUSMSA-CYBMUJFWSA-N 1 2 299.754 1.810 20 10 CDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000769467258 576356649 /nfs/dbraw/zinc/35/66/49/576356649.db2.gz OGPJRRLQFUSMSA-CYBMUJFWSA-N 1 2 299.754 1.810 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000769468323 576357147 /nfs/dbraw/zinc/35/71/47/576357147.db2.gz YKTQQDHOAWEOQM-ZDUSSCGKSA-N 1 2 299.754 1.810 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000769468323 576357148 /nfs/dbraw/zinc/35/71/48/576357148.db2.gz YKTQQDHOAWEOQM-ZDUSSCGKSA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000743472810 576641795 /nfs/dbraw/zinc/64/17/95/576641795.db2.gz KHEQTYZTHMNKET-STQMWFEESA-N 1 2 292.379 1.735 20 10 CDCDLO COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756577939 576996775 /nfs/dbraw/zinc/99/67/75/576996775.db2.gz SWXSDTZMAUIPGP-OQPBUACISA-N 1 2 275.295 1.718 20 10 CDCDLO COC[C@H](O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756777039 577003713 /nfs/dbraw/zinc/00/37/13/577003713.db2.gz GAPWWPMTFYPQPD-WCBMZHEXSA-N 1 2 275.295 1.718 20 10 CDCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000840954857 617762549 /nfs/dbraw/zinc/76/25/49/617762549.db2.gz MMDKSLMERRPNER-JTQLQIEISA-N 1 2 255.289 1.571 20 10 CDCDLO COc1cccc(O)c1C[N@H+]1CCO[C@@H](CF)C1 ZINC000840954857 617762555 /nfs/dbraw/zinc/76/25/55/617762555.db2.gz MMDKSLMERRPNER-JTQLQIEISA-N 1 2 255.289 1.571 20 10 CDCDLO COc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c(O)c1OC ZINC000893713073 617935171 /nfs/dbraw/zinc/93/51/71/617935171.db2.gz WVQSNTYROCXQMN-SNVBAGLBSA-N 1 2 294.351 1.072 20 10 CDCDLO COc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)c(O)c1OC ZINC000893713073 617935177 /nfs/dbraw/zinc/93/51/77/617935177.db2.gz WVQSNTYROCXQMN-SNVBAGLBSA-N 1 2 294.351 1.072 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000897680897 621068494 /nfs/dbraw/zinc/06/84/94/621068494.db2.gz MVSFQLGJWYDDFC-RDDDGLTNSA-N 1 2 259.708 1.997 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000897680897 621068495 /nfs/dbraw/zinc/06/84/95/621068495.db2.gz MVSFQLGJWYDDFC-RDDDGLTNSA-N 1 2 259.708 1.997 20 10 CDCDLO COc1cccc(C[NH2+]Cc2nc(N(C)C)no2)c1O ZINC000191901820 679800187 /nfs/dbraw/zinc/80/01/87/679800187.db2.gz YLWYCMCNCPIEKN-UHFFFAOYSA-N 1 2 278.312 1.140 20 10 CDCDLO Nc1ccc(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000848395221 681234942 /nfs/dbraw/zinc/23/49/42/681234942.db2.gz QXBOSFAIHKSMBG-CYBMUJFWSA-N 1 2 284.363 1.387 20 10 CDCDLO NC(=O)CC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000817410295 682006401 /nfs/dbraw/zinc/00/64/01/682006401.db2.gz AENHSRCEBKFGHP-UHFFFAOYSA-N 1 2 286.734 1.930 20 10 CDCDLO Cc1cc(Br)cc(C[NH2+][C@H](C)CN)c1O ZINC000841059442 682013960 /nfs/dbraw/zinc/01/39/60/682013960.db2.gz DOSGHIYPYFKWDV-MRVPVSSYSA-N 1 2 273.174 1.900 20 10 CDCDLO COC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)OC ZINC000781529899 682806699 /nfs/dbraw/zinc/80/66/99/682806699.db2.gz SEFIKMRUJSBLJM-JTQLQIEISA-N 1 2 277.723 1.936 20 10 CDCDLO C[C@H](CC(=O)NCCc1ccc(N)cc1)n1cc[nH+]c1 ZINC000846666773 682854781 /nfs/dbraw/zinc/85/47/81/682854781.db2.gz WKYAQNXIIGLGGE-GFCCVEGCSA-N 1 2 272.352 1.775 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000706724248 683088614 /nfs/dbraw/zinc/08/86/14/683088614.db2.gz PUSGYSZDVGLRMK-GHMZBOCLSA-N 1 2 257.717 1.285 20 10 CDCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccccc1O ZINC000847569626 683338938 /nfs/dbraw/zinc/33/89/38/683338938.db2.gz GGDMOJBLYIMRRE-NSHDSACASA-N 1 2 273.336 1.953 20 10 CDCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccccc1O ZINC000847569626 683338946 /nfs/dbraw/zinc/33/89/46/683338946.db2.gz GGDMOJBLYIMRRE-NSHDSACASA-N 1 2 273.336 1.953 20 10 CDCDLO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000817971488 683452563 /nfs/dbraw/zinc/45/25/63/683452563.db2.gz DOTVBHHCMJAQMB-BDAKNGLRSA-N 1 2 252.314 1.177 20 10 CDCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCn1cncn1 ZINC000816547154 683676933 /nfs/dbraw/zinc/67/69/33/683676933.db2.gz LXRXUTMMAOJNJQ-UHFFFAOYSA-N 1 2 284.722 1.956 20 10 CDCDLO O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001580875870 1172558314 /nfs/dbraw/zinc/55/83/14/1172558314.db2.gz SXRNAHOFNUXXKL-SNVBAGLBSA-N 1 2 251.286 1.142 20 10 CDCDLO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001589978575 1173222874 /nfs/dbraw/zinc/22/28/74/1173222874.db2.gz OWWOJUCPTVUBNP-KXUCPTDWSA-N 1 2 273.340 1.879 20 10 CDCDLO CN(C)c1ccc(CN2CC[NH2+]CC(F)(F)C2)cc1 ZINC001210814760 895451831 /nfs/dbraw/zinc/45/18/31/895451831.db2.gz INEJZWIGPUTYPM-UHFFFAOYSA-N 1 2 269.339 1.793 20 10 CDCDLO COc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(O)c1Cl ZINC001236800648 916476029 /nfs/dbraw/zinc/47/60/29/916476029.db2.gz CCSITQXERPADMQ-JTQLQIEISA-N 1 2 287.743 1.247 20 10 CDCDLO COc1ccc(C[N@H+]2CCOC[C@@H](O)C2)c(O)c1Cl ZINC001236800648 916476041 /nfs/dbraw/zinc/47/60/41/916476041.db2.gz CCSITQXERPADMQ-JTQLQIEISA-N 1 2 287.743 1.247 20 10 CDCDLO O=C(CCc1ccc(O)c(O)c1)Nc1cc[nH+]c2c1CCC2 ZINC001182154310 917693801 /nfs/dbraw/zinc/69/38/01/917693801.db2.gz YKXASTORLOIGSS-UHFFFAOYSA-N 1 2 298.342 1.975 20 10 CDCDLO C[C@@]1(O)CC[N@H+](Cc2cccc(F)c2O)C[C@@H]1F ZINC001138124030 936473560 /nfs/dbraw/zinc/47/35/60/936473560.db2.gz VVHMFXROFFFHRG-WCQYABFASA-N 1 2 257.280 1.826 20 10 CDCDLO C[C@@]1(O)CC[N@@H+](Cc2cccc(F)c2O)C[C@@H]1F ZINC001138124030 936473562 /nfs/dbraw/zinc/47/35/62/936473562.db2.gz VVHMFXROFFFHRG-WCQYABFASA-N 1 2 257.280 1.826 20 10 CDCDLO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(O)cccc1Cl ZINC001140341192 936703298 /nfs/dbraw/zinc/70/32/98/936703298.db2.gz BOJCNDWHDLIKCI-UWVGGRQHSA-N 1 2 252.745 1.934 20 10 CDCDLO CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(O)cccc1Cl ZINC001140341192 936703299 /nfs/dbraw/zinc/70/32/99/936703299.db2.gz BOJCNDWHDLIKCI-UWVGGRQHSA-N 1 2 252.745 1.934 20 10 CDCDLO C[C@@]1(CO)C[N@H+](Cc2c(O)cc(F)cc2F)CC[C@@H]1O ZINC001140582868 936727028 /nfs/dbraw/zinc/72/70/28/936727028.db2.gz OHBUBKKRJYRBII-KBPBESRZSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@@]1(CO)C[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@@H]1O ZINC001140582868 936727030 /nfs/dbraw/zinc/72/70/30/936727030.db2.gz OHBUBKKRJYRBII-KBPBESRZSA-N 1 2 287.306 1.236 20 10 CDCDLO O=C1CC[N@@H+](Cc2c(O)cc(F)cc2F)C[C@@H]2CCCN12 ZINC001140585464 936728283 /nfs/dbraw/zinc/72/82/83/936728283.db2.gz JKCSSNFVBHTCGG-NSHDSACASA-N 1 2 296.317 1.867 20 10 CDCDLO O=C1CC[N@H+](Cc2c(O)cc(F)cc2F)C[C@@H]2CCCN12 ZINC001140585464 936728284 /nfs/dbraw/zinc/72/82/84/936728284.db2.gz JKCSSNFVBHTCGG-NSHDSACASA-N 1 2 296.317 1.867 20 10 CDCDLO CNC(=O)CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708481359 923187717 /nfs/dbraw/zinc/18/77/17/923187717.db2.gz CRFSMUKRUPESNK-UHFFFAOYSA-N 1 2 258.268 1.286 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CC[C@@H]1O ZINC000840974911 936969686 /nfs/dbraw/zinc/96/96/86/936969686.db2.gz JKTPWQBGOJVCFM-KCJUWKMLSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CC[C@@H]1O ZINC000840974911 936969688 /nfs/dbraw/zinc/96/96/88/936969688.db2.gz JKTPWQBGOJVCFM-KCJUWKMLSA-N 1 2 289.734 1.360 20 10 CDCDLO CN(C)c1ccc(CN(C)c2cc(N)nc[nH+]2)cc1 ZINC001156920725 938434014 /nfs/dbraw/zinc/43/40/14/938434014.db2.gz JWFCVKYLGBJIFN-UHFFFAOYSA-N 1 2 257.341 1.761 20 10 CDCDLO CC[N@H+](Cc1ccc(F)c(F)c1O)C1CN(C)C1 ZINC001233078960 943486950 /nfs/dbraw/zinc/48/69/50/943486950.db2.gz PWLABFJGIKIURX-UHFFFAOYSA-N 1 2 256.296 1.806 20 10 CDCDLO CC[N@@H+](Cc1ccc(F)c(F)c1O)C1CN(C)C1 ZINC001233078960 943486952 /nfs/dbraw/zinc/48/69/52/943486952.db2.gz PWLABFJGIKIURX-UHFFFAOYSA-N 1 2 256.296 1.806 20 10 CDCDLO CCC[N@H+](CC(=O)OCC)Cc1cc(O)c(O)cc1O ZINC001233486534 943596126 /nfs/dbraw/zinc/59/61/26/943596126.db2.gz QMHIVOPWWVKGQZ-UHFFFAOYSA-N 1 2 283.324 1.579 20 10 CDCDLO CCC[N@@H+](CC(=O)OCC)Cc1cc(O)c(O)cc1O ZINC001233486534 943596131 /nfs/dbraw/zinc/59/61/31/943596131.db2.gz QMHIVOPWWVKGQZ-UHFFFAOYSA-N 1 2 283.324 1.579 20 10 CDCDLO CCNC(=O)C[N@H+](C)Cc1ccc(OC)c(Cl)c1O ZINC001236801248 944572699 /nfs/dbraw/zinc/57/26/99/944572699.db2.gz IKMUFTWKFHZVJN-UHFFFAOYSA-N 1 2 286.759 1.622 20 10 CDCDLO CCNC(=O)C[N@@H+](C)Cc1ccc(OC)c(Cl)c1O ZINC001236801248 944572703 /nfs/dbraw/zinc/57/27/03/944572703.db2.gz IKMUFTWKFHZVJN-UHFFFAOYSA-N 1 2 286.759 1.622 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237675033 944919905 /nfs/dbraw/zinc/91/99/05/944919905.db2.gz QNJCMRNXNBMEMR-LBPRGKRZSA-N 1 2 295.335 1.547 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237675033 944919910 /nfs/dbraw/zinc/91/99/10/944919910.db2.gz QNJCMRNXNBMEMR-LBPRGKRZSA-N 1 2 295.335 1.547 20 10 CDCDLO CC[N@@H+](CC(=O)OC)Cc1cc(F)cc(C)c1O ZINC001238066724 945048349 /nfs/dbraw/zinc/04/83/49/945048349.db2.gz OYVFMGVYBBCHKD-UHFFFAOYSA-N 1 2 255.289 1.835 20 10 CDCDLO CC[N@H+](CC(=O)OC)Cc1cc(F)cc(C)c1O ZINC001238066724 945048342 /nfs/dbraw/zinc/04/83/42/945048342.db2.gz OYVFMGVYBBCHKD-UHFFFAOYSA-N 1 2 255.289 1.835 20 10 CDCDLO Cc1cc(N(c2ccc(N)cc2)S(C)(=O)=O)c[nH+]c1N ZINC001249788743 949799287 /nfs/dbraw/zinc/79/92/87/949799287.db2.gz OSRUTUJLMAZPHD-UHFFFAOYSA-N 1 2 292.364 1.652 20 10 CDCDLO CN(C)c1ccc(C=CC[NH2+]Cc2nc(CO)n[nH]2)cc1 ZINC001308558757 956546473 /nfs/dbraw/zinc/54/64/73/956546473.db2.gz XLPUMBDCFGCVGY-ONEGZZNKSA-N 1 2 287.367 1.166 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000295054886 199322330 /nfs/dbraw/zinc/32/23/30/199322330.db2.gz PUZUUZCZTZAMQL-CYBMUJFWSA-N 1 2 275.396 1.853 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000295054886 199322332 /nfs/dbraw/zinc/32/23/32/199322332.db2.gz PUZUUZCZTZAMQL-CYBMUJFWSA-N 1 2 275.396 1.853 20 10 CDCDLO C[C@H](O)C(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180497733 357273581 /nfs/dbraw/zinc/27/35/81/357273581.db2.gz NLLYBOKYHAOPTP-JTQLQIEISA-N 1 2 298.770 1.071 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1O ZINC000187776893 357806182 /nfs/dbraw/zinc/80/61/82/357806182.db2.gz ROQQTUYGAALLRK-RKDXNWHRSA-N 1 2 294.305 1.928 20 10 CDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294400314 199026004 /nfs/dbraw/zinc/02/60/04/199026004.db2.gz CLEBYDKBQIHSJW-UKRRQHHQSA-N 1 2 292.379 1.169 20 10 CDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000294400314 199026005 /nfs/dbraw/zinc/02/60/05/199026005.db2.gz CLEBYDKBQIHSJW-UKRRQHHQSA-N 1 2 292.379 1.169 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(F)c(F)c1O ZINC000191198305 358119254 /nfs/dbraw/zinc/11/92/54/358119254.db2.gz JMBXHSXEBFYKIB-KCJUWKMLSA-N 1 2 284.306 1.990 20 10 CDCDLO C[N@H+](CCN1CCOCC1)Cc1cccc(F)c1O ZINC000272226325 365140709 /nfs/dbraw/zinc/14/07/09/365140709.db2.gz CXSFTESMMBOCFX-UHFFFAOYSA-N 1 2 268.332 1.295 20 10 CDCDLO C[N@@H+](CCN1CCOCC1)Cc1cccc(F)c1O ZINC000272226325 365140714 /nfs/dbraw/zinc/14/07/14/365140714.db2.gz CXSFTESMMBOCFX-UHFFFAOYSA-N 1 2 268.332 1.295 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCOCC2)c1O ZINC000061919994 375866698 /nfs/dbraw/zinc/86/66/98/375866698.db2.gz NVWJMVOYEZMPBC-UHFFFAOYSA-N 1 2 267.300 1.956 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCOCC2)c1O ZINC000061919994 375866702 /nfs/dbraw/zinc/86/67/02/375866702.db2.gz NVWJMVOYEZMPBC-UHFFFAOYSA-N 1 2 267.300 1.956 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000493188553 253393262 /nfs/dbraw/zinc/39/32/62/253393262.db2.gz KQEQXFHXSJJRIA-RQOWECAXSA-N 1 2 284.275 1.920 20 10 CDCDLO OCC(F)(F)C[NH2+]Cc1cc(Br)ccc1O ZINC000183894946 391273886 /nfs/dbraw/zinc/27/38/86/391273886.db2.gz OHTOACUQUKGUDX-UHFFFAOYSA-N 1 2 296.111 1.872 20 10 CDCDLO O=C(NCCCn1cc[nH+]c1)NCc1ccccc1O ZINC000299515790 526289111 /nfs/dbraw/zinc/28/91/11/526289111.db2.gz OXVRCRDKAICKIB-UHFFFAOYSA-N 1 2 274.324 1.478 20 10 CDCDLO OCC[C@@]1([NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000278142700 527567893 /nfs/dbraw/zinc/56/78/93/527567893.db2.gz ABESJLRFWKIDNB-CYBMUJFWSA-N 1 2 271.744 1.677 20 10 CDCDLO Cc1ccc(C(=O)NCCc2c[nH+]cn2C)c(O)c1O ZINC000773823071 575839725 /nfs/dbraw/zinc/83/97/25/575839725.db2.gz HTZNJYPIRFPHHE-UHFFFAOYSA-N 1 2 275.308 1.112 20 10 CDCDLO COCC[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2O)CCOC1 ZINC000773953387 575845544 /nfs/dbraw/zinc/84/55/44/575845544.db2.gz FLTMMFIDKWZCJO-AWEZNQCLSA-N 1 2 296.323 1.586 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC(OC)C2)cc1OC ZINC000768445613 576284211 /nfs/dbraw/zinc/28/42/11/576284211.db2.gz HRKVIZZNSOAYQV-UHFFFAOYSA-N 1 2 253.298 1.240 20 10 CDCDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1=CC(=O)CS1 ZINC000768845959 576312130 /nfs/dbraw/zinc/31/21/30/576312130.db2.gz LEUBKIZYJSGQEV-IUCAKERBSA-N 1 2 254.355 1.618 20 10 CDCDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1=CC(=O)CS1 ZINC000768845959 576312129 /nfs/dbraw/zinc/31/21/29/576312129.db2.gz LEUBKIZYJSGQEV-IUCAKERBSA-N 1 2 254.355 1.618 20 10 CDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000769468322 576357186 /nfs/dbraw/zinc/35/71/86/576357186.db2.gz YKTQQDHOAWEOQM-CYBMUJFWSA-N 1 2 299.754 1.810 20 10 CDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000769468322 576357187 /nfs/dbraw/zinc/35/71/87/576357187.db2.gz YKTQQDHOAWEOQM-CYBMUJFWSA-N 1 2 299.754 1.810 20 10 CDCDLO O=C(NCCc1ccc(O)c(O)c1)c1cccc2[nH+]ccn21 ZINC000762275574 576636769 /nfs/dbraw/zinc/63/67/69/576636769.db2.gz VWGUGTSPJXFRAF-UHFFFAOYSA-N 1 2 297.314 1.718 20 10 CDCDLO CCOC(=O)[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000763271210 576728155 /nfs/dbraw/zinc/72/81/55/576728155.db2.gz FOGZUDJMXAWFDQ-VIFPVBQESA-N 1 2 283.324 1.451 20 10 CDCDLO C[C@H]([NH2+]Cc1nncn1C)c1cc([N+](=O)[O-])ccc1O ZINC000756403111 576989283 /nfs/dbraw/zinc/98/92/83/576989283.db2.gz WRDXFGUHMGCFOI-QMMMGPOBSA-N 1 2 277.284 1.280 20 10 CDCDLO COC[C@H](CCO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756591931 576997041 /nfs/dbraw/zinc/99/70/41/576997041.db2.gz HEURIXRPYASKRE-SCZZXKLOSA-N 1 2 275.295 1.718 20 10 CDCDLO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756661229 576999225 /nfs/dbraw/zinc/99/92/25/576999225.db2.gz QGMRSQSRROQTLO-BQBZGAKWSA-N 1 2 258.268 1.585 20 10 CDCDLO Cn1c[nH+]cc1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000901435904 624247542 /nfs/dbraw/zinc/24/75/42/624247542.db2.gz JOBJGCFBYDCKSL-YRNVUSSQSA-N 1 2 276.365 1.876 20 10 CDCDLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nncn1C ZINC000708494564 685327950 /nfs/dbraw/zinc/32/79/50/685327950.db2.gz LYFJOMPGRVBRQO-ZETCQYMHSA-N 1 2 268.267 1.650 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000862755008 685474765 /nfs/dbraw/zinc/47/47/65/685474765.db2.gz NBUCCSNXUJJTSE-NSHDSACASA-N 1 2 273.336 1.919 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000862755008 685474766 /nfs/dbraw/zinc/47/47/66/685474766.db2.gz NBUCCSNXUJJTSE-NSHDSACASA-N 1 2 273.336 1.919 20 10 CDCDLO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857944110 684740155 /nfs/dbraw/zinc/74/01/55/684740155.db2.gz IXNZWJGTMQRKDU-FXMSTWTQSA-N 1 2 299.330 1.439 20 10 CDCDLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000862539457 684851822 /nfs/dbraw/zinc/85/18/22/684851822.db2.gz OOMDNPIKHUNHNY-QMMMGPOBSA-N 1 2 272.732 1.544 20 10 CDCDLO CN1CC[N@H+](Cc2cc(Cl)ccc2O)[C@@H](CO)C1 ZINC000877643454 685211026 /nfs/dbraw/zinc/21/10/26/685211026.db2.gz FDLSEMNRUGICCB-GFCCVEGCSA-N 1 2 270.760 1.154 20 10 CDCDLO CN1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@@H](CO)C1 ZINC000877643454 685211045 /nfs/dbraw/zinc/21/10/45/685211045.db2.gz FDLSEMNRUGICCB-GFCCVEGCSA-N 1 2 270.760 1.154 20 10 CDCDLO COC[C@](C)(O)C[NH2+]Cc1cccc(Cl)c1O ZINC000382553691 686148171 /nfs/dbraw/zinc/14/81/71/686148171.db2.gz HDXPTXOFSQDZFQ-GFCCVEGCSA-N 1 2 259.733 1.533 20 10 CDCDLO O=C(NCCNc1cccc[nH+]1)c1cccc(O)c1O ZINC000790516441 686241065 /nfs/dbraw/zinc/24/10/65/686241065.db2.gz TZCDCDACDXLKSI-UHFFFAOYSA-N 1 2 273.292 1.335 20 10 CDCDLO COc1ccc(O)c(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)c1 ZINC000814178794 686495739 /nfs/dbraw/zinc/49/57/39/686495739.db2.gz DFHOCNAMUYQDQT-LBPRGKRZSA-N 1 2 279.336 1.927 20 10 CDCDLO COc1ccc(O)c(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)c1 ZINC000814178794 686495760 /nfs/dbraw/zinc/49/57/60/686495760.db2.gz DFHOCNAMUYQDQT-LBPRGKRZSA-N 1 2 279.336 1.927 20 10 CDCDLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nnnn1C1CC1 ZINC000883102692 687079548 /nfs/dbraw/zinc/07/95/48/687079548.db2.gz XZAZSDZNQYVUMK-ZETCQYMHSA-N 1 2 295.293 1.843 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589954548 1173211062 /nfs/dbraw/zinc/21/10/62/1173211062.db2.gz YXUALNDUNCWWQZ-DTWKUNHWSA-N 1 2 299.338 1.707 20 10 CDCDLO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603695270 1175601261 /nfs/dbraw/zinc/60/12/61/1175601261.db2.gz JPFGAOHEZUFAJK-UTLUCORTSA-N 1 2 291.355 1.382 20 10 CDCDLO CCOC(=O)C[N@H+](CC)Cc1ccc(OC)cc1O ZINC000092399752 898652184 /nfs/dbraw/zinc/65/21/84/898652184.db2.gz XCGOXVKAXDIFGH-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(OC)cc1O ZINC000092399752 898652188 /nfs/dbraw/zinc/65/21/88/898652188.db2.gz XCGOXVKAXDIFGH-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530345 908876199 /nfs/dbraw/zinc/87/61/99/908876199.db2.gz FEXCTPWULKVVNW-JTQLQIEISA-N 1 2 270.279 1.381 20 10 CDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530345 908876215 /nfs/dbraw/zinc/87/62/15/908876215.db2.gz FEXCTPWULKVVNW-JTQLQIEISA-N 1 2 270.279 1.381 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CC(N2CCOCC2)C1 ZINC001138127664 936475104 /nfs/dbraw/zinc/47/51/04/936475104.db2.gz KGNUFLMQYZUFHJ-UHFFFAOYSA-N 1 2 266.316 1.048 20 10 CDCDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141163206 936823605 /nfs/dbraw/zinc/82/36/05/936823605.db2.gz UWTCZXLOJCFOLF-GFCCVEGCSA-N 1 2 295.335 1.252 20 10 CDCDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1cc(O)ccc1O ZINC001141163206 936823607 /nfs/dbraw/zinc/82/36/07/936823607.db2.gz UWTCZXLOJCFOLF-GFCCVEGCSA-N 1 2 295.335 1.252 20 10 CDCDLO CS(=O)(=O)CCCC[NH2+]Cc1cccc(Cl)c1O ZINC000692820483 937234053 /nfs/dbraw/zinc/23/40/53/937234053.db2.gz ZEDFZQVANSLXKK-UHFFFAOYSA-N 1 2 291.800 1.960 20 10 CDCDLO Oc1cc(O)c(C[NH+]2CC(F)(C3CC3)C2)c(O)c1 ZINC001144499865 931858756 /nfs/dbraw/zinc/85/87/56/931858756.db2.gz MPDXLWNCXSILER-UHFFFAOYSA-N 1 2 253.273 1.737 20 10 CDCDLO OCC1C[NH+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418477 943581168 /nfs/dbraw/zinc/58/11/68/943581168.db2.gz INTVBHWWUOMWPY-UHFFFAOYSA-N 1 2 261.243 1.835 20 10 CDCDLO Cc1cccc(O)c1C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001237482732 944810153 /nfs/dbraw/zinc/81/01/53/944810153.db2.gz ONLDLMPLYDCJBL-JTQLQIEISA-N 1 2 257.280 1.903 20 10 CDCDLO Cc1cccc(O)c1C[N@H+]1CC(F)(F)C[C@H]1CO ZINC001237482732 944810159 /nfs/dbraw/zinc/81/01/59/944810159.db2.gz ONLDLMPLYDCJBL-JTQLQIEISA-N 1 2 257.280 1.903 20 10 CDCDLO Nc1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC001262563000 946713130 /nfs/dbraw/zinc/71/31/30/946713130.db2.gz RMQSTNWPLPGALP-UHFFFAOYSA-N 1 2 299.378 1.965 20 10 CDCDLO Oc1ccccc1C[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC001329114073 955697282 /nfs/dbraw/zinc/69/72/82/955697282.db2.gz NITFFJJSRYBVAV-LBPRGKRZSA-N 1 2 274.324 1.652 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000295074498 199332295 /nfs/dbraw/zinc/33/22/95/199332295.db2.gz RISWBRGSJMKRAW-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000295074498 199332297 /nfs/dbraw/zinc/33/22/97/199332297.db2.gz RISWBRGSJMKRAW-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO CCN1CC[N@H+](Cc2cccc(Cl)c2O)CC1=O ZINC000273549891 365506761 /nfs/dbraw/zinc/50/67/61/365506761.db2.gz YRKHRYMHFWWCKY-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO CCN1CC[N@@H+](Cc2cccc(Cl)c2O)CC1=O ZINC000273549891 365506764 /nfs/dbraw/zinc/50/67/64/365506764.db2.gz YRKHRYMHFWWCKY-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO CN(C)[C@H](C(=O)NCc1ccccc1O)c1c[nH+]cn1C ZINC000283566441 368324813 /nfs/dbraw/zinc/32/48/13/368324813.db2.gz WBZHWDPKWTULIY-AWEZNQCLSA-N 1 2 288.351 1.045 20 10 CDCDLO C[C@H]1COCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297979863 372042492 /nfs/dbraw/zinc/04/24/92/372042492.db2.gz WAWHIDGHAPAPGN-ZDUSSCGKSA-N 1 2 291.395 1.090 20 10 CDCDLO C[C@H]1COCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297979863 372042496 /nfs/dbraw/zinc/04/24/96/372042496.db2.gz WAWHIDGHAPAPGN-ZDUSSCGKSA-N 1 2 291.395 1.090 20 10 CDCDLO OC[C@]1([NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000184193803 262272378 /nfs/dbraw/zinc/27/23/78/262272378.db2.gz QZVVLEAPYPCKPQ-GFCCVEGCSA-N 1 2 257.717 1.287 20 10 CDCDLO COc1c(O)c(C[N@H+](C(C)C)C2COC2)ccc1[N+](=O)[O-] ZINC000295929720 391058640 /nfs/dbraw/zinc/05/86/40/391058640.db2.gz FNHYOEFIORIVBI-UHFFFAOYSA-N 1 2 296.323 1.918 20 10 CDCDLO COc1c(O)c(C[N@@H+](C(C)C)C2COC2)ccc1[N+](=O)[O-] ZINC000295929720 391058647 /nfs/dbraw/zinc/05/86/47/391058647.db2.gz FNHYOEFIORIVBI-UHFFFAOYSA-N 1 2 296.323 1.918 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000280859990 263064775 /nfs/dbraw/zinc/06/47/75/263064775.db2.gz NDBMYNNZDISKAX-SNVBAGLBSA-N 1 2 268.332 1.885 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000280859990 263064776 /nfs/dbraw/zinc/06/47/76/263064776.db2.gz NDBMYNNZDISKAX-SNVBAGLBSA-N 1 2 268.332 1.885 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](O)C2)c1O ZINC000061710880 518278444 /nfs/dbraw/zinc/27/84/44/518278444.db2.gz UNESZMWBITUMAQ-LLVKDONJSA-N 1 2 269.728 1.815 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)C2)c1O ZINC000061710880 518278438 /nfs/dbraw/zinc/27/84/38/518278438.db2.gz UNESZMWBITUMAQ-LLVKDONJSA-N 1 2 269.728 1.815 20 10 CDCDLO CCOc1cccc(C[N@H+](C)Cc2nncn2C)c1O ZINC000290198829 521333679 /nfs/dbraw/zinc/33/36/79/521333679.db2.gz PKKRKYJXZNMYPS-UHFFFAOYSA-N 1 2 276.340 1.551 20 10 CDCDLO CCOc1cccc(C[N@@H+](C)Cc2nncn2C)c1O ZINC000290198829 521333681 /nfs/dbraw/zinc/33/36/81/521333681.db2.gz PKKRKYJXZNMYPS-UHFFFAOYSA-N 1 2 276.340 1.551 20 10 CDCDLO O=C1NC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC000156062583 527073377 /nfs/dbraw/zinc/07/33/77/527073377.db2.gz CHOOSIFWYAMBEY-LLVKDONJSA-N 1 2 281.743 1.255 20 10 CDCDLO O=C1NC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC000156062583 527073381 /nfs/dbraw/zinc/07/33/81/527073381.db2.gz CHOOSIFWYAMBEY-LLVKDONJSA-N 1 2 281.743 1.255 20 10 CDCDLO CCOc1ccc(C[NH+]2CCS(=O)CC2)c(O)c1 ZINC000769328964 575348015 /nfs/dbraw/zinc/34/80/15/575348015.db2.gz IIZOFIUFWHMCAO-UHFFFAOYSA-N 1 2 269.366 1.355 20 10 CDCDLO C[C@H]([NH2+]CC(F)(F)CO)c1cc(F)cc(F)c1O ZINC000768285884 576268260 /nfs/dbraw/zinc/26/82/60/576268260.db2.gz IJODBXJZEIFTLX-LURJTMIESA-N 1 2 267.222 1.949 20 10 CDCDLO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cc(F)cc(F)c1O ZINC000756661274 576999189 /nfs/dbraw/zinc/99/91/89/576999189.db2.gz QGMRSQSRROQTLO-NKWVEPMBSA-N 1 2 258.268 1.585 20 10 CDCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000841099304 618682149 /nfs/dbraw/zinc/68/21/49/618682149.db2.gz OZGCQWGAGYUXCU-JTQLQIEISA-N 1 2 291.178 1.777 20 10 CDCDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc(N(C)C)cc1 ZINC000907491112 627688572 /nfs/dbraw/zinc/68/85/72/627688572.db2.gz ADXWDSWDEXPWSI-LLVKDONJSA-N 1 2 272.352 1.896 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(F)cc(F)c1O ZINC000872140985 692476885 /nfs/dbraw/zinc/47/68/85/692476885.db2.gz HAKDCYAEKIEAHL-NZXMKCKXSA-N 1 2 273.279 1.471 20 10 CDCDLO COC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776174055 692779181 /nfs/dbraw/zinc/77/91/81/692779181.db2.gz FRHRHWQVIGHQFN-GFCCVEGCSA-N 1 2 277.723 1.672 20 10 CDCDLO Oc1c(F)cccc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000827120150 693184845 /nfs/dbraw/zinc/18/48/45/693184845.db2.gz QBGGFZXFXCJPMZ-ZDUSSCGKSA-N 1 2 280.343 1.438 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000827120150 693184855 /nfs/dbraw/zinc/18/48/55/693184855.db2.gz QBGGFZXFXCJPMZ-ZDUSSCGKSA-N 1 2 280.343 1.438 20 10 CDCDLO Oc1cccc(Cl)c1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000827120246 693478170 /nfs/dbraw/zinc/47/81/70/693478170.db2.gz QQWAQNJKKWSDIJ-GFCCVEGCSA-N 1 2 296.798 1.952 20 10 CDCDLO Oc1cccc(Cl)c1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000827120246 693478172 /nfs/dbraw/zinc/47/81/72/693478172.db2.gz QQWAQNJKKWSDIJ-GFCCVEGCSA-N 1 2 296.798 1.952 20 10 CDCDLO O=C(CCc1c[nH]c[nH+]1)NCCc1ccc(O)c(O)c1 ZINC000788667597 694768259 /nfs/dbraw/zinc/76/82/59/694768259.db2.gz HHAMOMBPTRXKSW-UHFFFAOYSA-N 1 2 275.308 1.112 20 10 CDCDLO O=C(CCc1c[nH+]c[nH]1)NCCc1ccc(O)c(O)c1 ZINC000788667597 694768263 /nfs/dbraw/zinc/76/82/63/694768263.db2.gz HHAMOMBPTRXKSW-UHFFFAOYSA-N 1 2 275.308 1.112 20 10 CDCDLO CC[C@H]([NH2+]CCCOC)c1cccc(-c2nn[nH]n2)c1O ZINC001604054277 1175736788 /nfs/dbraw/zinc/73/67/88/1175736788.db2.gz HKLORELRUMOCCN-LBPRGKRZSA-N 1 2 291.355 1.650 20 10 CDCDLO COc1cccc(C[NH2+][C@H](C)c2ncn(C)n2)c1O ZINC000391810863 723107996 /nfs/dbraw/zinc/10/79/96/723107996.db2.gz NQTNYLYSGZGZHW-SECBINFHSA-N 1 2 262.313 1.380 20 10 CDCDLO C[C@]1(C(N)=O)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000793388680 723128031 /nfs/dbraw/zinc/12/80/31/723128031.db2.gz DYJVIIKLYZNUMH-ZDUSSCGKSA-N 1 2 286.734 1.882 20 10 CDCDLO C[C@]1(C(N)=O)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000793388680 723128033 /nfs/dbraw/zinc/12/80/33/723128033.db2.gz DYJVIIKLYZNUMH-ZDUSSCGKSA-N 1 2 286.734 1.882 20 10 CDCDLO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CC(C)(C)OC1=O ZINC000814181415 723210523 /nfs/dbraw/zinc/21/05/23/723210523.db2.gz ZREJLSMOFJVHPC-SNVBAGLBSA-N 1 2 293.319 1.647 20 10 CDCDLO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CC(C)(C)OC1=O ZINC000814181415 723210527 /nfs/dbraw/zinc/21/05/27/723210527.db2.gz ZREJLSMOFJVHPC-SNVBAGLBSA-N 1 2 293.319 1.647 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1cccc(OCC)c1O ZINC000128564642 723302280 /nfs/dbraw/zinc/30/22/80/723302280.db2.gz NBXRGVQOZJWECL-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1cccc(OCC)c1O ZINC000128564642 723302285 /nfs/dbraw/zinc/30/22/85/723302285.db2.gz NBXRGVQOZJWECL-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO COc1ccc(N(C)CC[N@H+](C)[C@@H]2CCOC2=O)cc1 ZINC000844398742 723392074 /nfs/dbraw/zinc/39/20/74/723392074.db2.gz BDNHWFCPFBCZQP-CQSZACIVSA-N 1 2 278.352 1.379 20 10 CDCDLO COc1ccc(N(C)CC[N@@H+](C)[C@@H]2CCOC2=O)cc1 ZINC000844398742 723392078 /nfs/dbraw/zinc/39/20/78/723392078.db2.gz BDNHWFCPFBCZQP-CQSZACIVSA-N 1 2 278.352 1.379 20 10 CDCDLO C[C@H](C(=O)N1CCc2cccc(O)c2C1)n1cc[nH+]c1 ZINC001177922088 915033562 /nfs/dbraw/zinc/03/35/62/915033562.db2.gz NHHHSKIFQJYUAF-LLVKDONJSA-N 1 2 271.320 1.735 20 10 CDCDLO CN(C)c1ccc(/C=C/C(=O)NCCc2[nH+]ccn2C)cc1 ZINC001180130287 916149128 /nfs/dbraw/zinc/14/91/28/916149128.db2.gz GMJNCMFHBRFRDG-RMKNXTFCSA-N 1 2 298.390 1.858 20 10 CDCDLO OCCCN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140338130 936702937 /nfs/dbraw/zinc/70/29/37/936702937.db2.gz WCPUEBRXCUVIKI-UHFFFAOYSA-N 1 2 284.787 1.546 20 10 CDCDLO CN(C)c1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC000186792137 921987417 /nfs/dbraw/zinc/98/74/17/921987417.db2.gz SDIGNPRFBAQXJY-UHFFFAOYSA-N 1 2 272.352 1.345 20 10 CDCDLO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(F)cc1O ZINC000702652494 922586405 /nfs/dbraw/zinc/58/64/05/922586405.db2.gz LISNYEKQHCAJRX-QMTHXVAHSA-N 1 2 268.332 1.249 20 10 CDCDLO COCC(COC)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824921122 931486038 /nfs/dbraw/zinc/48/60/38/931486038.db2.gz GDOPRLLBGXMCMZ-UHFFFAOYSA-N 1 2 277.723 1.936 20 10 CDCDLO O=C(NCCOc1cc[nH+]cc1)c1cccc(O)c1O ZINC001148225041 932673739 /nfs/dbraw/zinc/67/37/39/932673739.db2.gz COWXKOWKMPSVQY-UHFFFAOYSA-N 1 2 274.276 1.302 20 10 CDCDLO COc1ccc(C[NH+]2CC(N(C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001203627577 939697933 /nfs/dbraw/zinc/69/79/33/939697933.db2.gz JSRSSGFSUBTLME-CYBMUJFWSA-N 1 2 292.379 1.306 20 10 CDCDLO CN(C1COC1)C1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC001203663969 939700035 /nfs/dbraw/zinc/70/00/35/939700035.db2.gz IIWZQODELIBPAD-UHFFFAOYSA-N 1 2 282.771 1.560 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874911 939710249 /nfs/dbraw/zinc/71/02/49/939710249.db2.gz FAPVMBNTWOCSMV-MNOVXSKESA-N 1 2 255.289 1.250 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874911 939710251 /nfs/dbraw/zinc/71/02/51/939710251.db2.gz FAPVMBNTWOCSMV-MNOVXSKESA-N 1 2 255.289 1.250 20 10 CDCDLO Cn1cnc2c1CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204280697 939752602 /nfs/dbraw/zinc/75/26/02/939752602.db2.gz MWBUMYODPHROMS-UHFFFAOYSA-N 1 2 259.309 1.390 20 10 CDCDLO Cn1cnc2c1CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204280697 939752607 /nfs/dbraw/zinc/75/26/07/939752607.db2.gz MWBUMYODPHROMS-UHFFFAOYSA-N 1 2 259.309 1.390 20 10 CDCDLO COc1cc(C[N@@H+]2CCOCC23CC3)c(O)cc1O ZINC001231638798 942954928 /nfs/dbraw/zinc/95/49/28/942954928.db2.gz GXCLFBIOWGLPBU-UHFFFAOYSA-N 1 2 265.309 1.471 20 10 CDCDLO COc1cc(C[N@H+]2CCOCC23CC3)c(O)cc1O ZINC001231638798 942954934 /nfs/dbraw/zinc/95/49/34/942954934.db2.gz GXCLFBIOWGLPBU-UHFFFAOYSA-N 1 2 265.309 1.471 20 10 CDCDLO CC(=O)N1CCC[N@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233332100 943546768 /nfs/dbraw/zinc/54/67/68/943546768.db2.gz YQVNCGYFIVAODZ-UHFFFAOYSA-N 1 2 284.306 1.725 20 10 CDCDLO CC(=O)N1CCC[N@@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233332100 943546771 /nfs/dbraw/zinc/54/67/71/943546771.db2.gz YQVNCGYFIVAODZ-UHFFFAOYSA-N 1 2 284.306 1.725 20 10 CDCDLO Oc1cc(O)c(C[N@H+](C2CC2)C2COC2)cc1O ZINC001233485538 943591948 /nfs/dbraw/zinc/59/19/48/943591948.db2.gz AEANDXMFJCWKHJ-UHFFFAOYSA-N 1 2 251.282 1.167 20 10 CDCDLO Oc1cc(O)c(C[N@@H+](C2CC2)C2COC2)cc1O ZINC001233485538 943591952 /nfs/dbraw/zinc/59/19/52/943591952.db2.gz AEANDXMFJCWKHJ-UHFFFAOYSA-N 1 2 251.282 1.167 20 10 CDCDLO C[N@H+](Cc1cc(O)c(Br)cc1O)C1COC1 ZINC001236776461 944563287 /nfs/dbraw/zinc/56/32/87/944563287.db2.gz XFOQHTMOZBYHIM-UHFFFAOYSA-N 1 2 288.141 1.691 20 10 CDCDLO C[N@@H+](Cc1cc(O)c(Br)cc1O)C1COC1 ZINC001236776461 944563290 /nfs/dbraw/zinc/56/32/90/944563290.db2.gz XFOQHTMOZBYHIM-UHFFFAOYSA-N 1 2 288.141 1.691 20 10 CDCDLO COc1ccc(C[N@@H+]2CC[C@@H](O)C2)c(O)c1Cl ZINC001236801088 944573830 /nfs/dbraw/zinc/57/38/30/944573830.db2.gz FTSQUJULFDWEBO-SECBINFHSA-N 1 2 257.717 1.621 20 10 CDCDLO COc1ccc(C[N@H+]2CC[C@@H](O)C2)c(O)c1Cl ZINC001236801088 944573838 /nfs/dbraw/zinc/57/38/38/944573838.db2.gz FTSQUJULFDWEBO-SECBINFHSA-N 1 2 257.717 1.621 20 10 CDCDLO C[NH+]1CC2(CN(Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC001237623444 944892972 /nfs/dbraw/zinc/89/29/72/944892972.db2.gz GCCMKKUSCATBDT-UHFFFAOYSA-N 1 2 270.735 1.932 20 10 CDCDLO Nc1[nH+]cccc1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001243476582 947128664 /nfs/dbraw/zinc/12/86/64/947128664.db2.gz CXKRZRAHDPCPKK-UHFFFAOYSA-N 1 2 278.315 1.936 20 10 CDCDLO Cn1cc[nH+]c1CCC(=O)NCc1ccc(O)c(O)c1 ZINC001346695661 965217350 /nfs/dbraw/zinc/21/73/50/965217350.db2.gz NUJQRFMEWDJHKC-UHFFFAOYSA-N 1 2 275.308 1.080 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295074496 199332225 /nfs/dbraw/zinc/33/22/25/199332225.db2.gz RISWBRGSJMKRAW-JTQLQIEISA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295074496 199332227 /nfs/dbraw/zinc/33/22/27/199332227.db2.gz RISWBRGSJMKRAW-JTQLQIEISA-N 1 2 264.325 1.111 20 10 CDCDLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(F)c(F)c1O ZINC000187908942 357821472 /nfs/dbraw/zinc/82/14/72/357821472.db2.gz SLPFXDZAFDBTRH-MRVPVSSYSA-N 1 2 284.306 1.847 20 10 CDCDLO C[C@H]([NH2+]CC1(CO)COC1)c1ccc(F)c(F)c1O ZINC000187801258 299280236 /nfs/dbraw/zinc/28/02/36/299280236.db2.gz IOLWYWILHDFHGV-QMMMGPOBSA-N 1 2 273.279 1.330 20 10 CDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000188785539 284214009 /nfs/dbraw/zinc/21/40/09/284214009.db2.gz UDIHKEIHLODYRR-NEPJUHHUSA-N 1 2 299.754 1.544 20 10 CDCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000188785539 284214010 /nfs/dbraw/zinc/21/40/10/284214010.db2.gz UDIHKEIHLODYRR-NEPJUHHUSA-N 1 2 299.754 1.544 20 10 CDCDLO COC(=O)c1cnc(SCc2[nH+]ccn2C)s1 ZINC000295162585 371138279 /nfs/dbraw/zinc/13/82/79/371138279.db2.gz HDICHERXBJKURM-UHFFFAOYSA-N 1 2 269.351 1.956 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000179595340 261801760 /nfs/dbraw/zinc/80/17/60/261801760.db2.gz RBWUVFFQPOYLNE-UHFFFAOYSA-N 1 2 261.369 1.465 20 10 CDCDLO COC(=O)[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000493188671 253393419 /nfs/dbraw/zinc/39/34/19/253393419.db2.gz MFOSZULPTIELTC-FWWRYZNZSA-N 1 2 297.314 1.726 20 10 CDCDLO Oc1ccc(F)cc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000373125364 391107006 /nfs/dbraw/zinc/10/70/06/391107006.db2.gz NNRYHUPWILFMHC-LBPRGKRZSA-N 1 2 261.300 1.902 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000179595340 261801759 /nfs/dbraw/zinc/80/17/59/261801759.db2.gz RBWUVFFQPOYLNE-UHFFFAOYSA-N 1 2 261.369 1.465 20 10 CDCDLO CO[C@H](C)CC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591322420 1173606993 /nfs/dbraw/zinc/60/69/93/1173606993.db2.gz QNUGKYYCWOSAJH-NXEZZACHSA-N 1 2 291.355 1.648 20 10 CDCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000378502599 329053149 /nfs/dbraw/zinc/05/31/49/329053149.db2.gz VZBNPPZJURLZEW-OLZOCXBDSA-N 1 2 297.326 1.684 20 10 CDCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1cc(F)ccc1O ZINC000378502599 329053151 /nfs/dbraw/zinc/05/31/51/329053151.db2.gz VZBNPPZJURLZEW-OLZOCXBDSA-N 1 2 297.326 1.684 20 10 CDCDLO Cn1cnnc1C[N@H+](C)Cc1cc(F)ccc1O ZINC000289994442 523612027 /nfs/dbraw/zinc/61/20/27/523612027.db2.gz CNKZDZAXLPCMTQ-UHFFFAOYSA-N 1 2 250.277 1.292 20 10 CDCDLO Cn1cnnc1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000289994442 523612042 /nfs/dbraw/zinc/61/20/42/523612042.db2.gz CNKZDZAXLPCMTQ-UHFFFAOYSA-N 1 2 250.277 1.292 20 10 CDCDLO C[C@H](CNC(=O)Cc1ccc(N)cc1)Cn1cc[nH+]c1 ZINC000237418872 524388673 /nfs/dbraw/zinc/38/86/73/524388673.db2.gz TXIHJTAWPUQHGO-GFCCVEGCSA-N 1 2 272.352 1.460 20 10 CDCDLO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000276966061 525383665 /nfs/dbraw/zinc/38/36/65/525383665.db2.gz SRQOKLUIPXGMJJ-QPUJVOFHSA-N 1 2 297.305 1.788 20 10 CDCDLO C[N@H+](Cc1c(O)cccc1Cl)[C@@H]1CCNC1=O ZINC000770381713 575443448 /nfs/dbraw/zinc/44/34/48/575443448.db2.gz PIXVYZOBWXODCJ-SNVBAGLBSA-N 1 2 254.717 1.366 20 10 CDCDLO C[N@@H+](Cc1c(O)cccc1Cl)[C@@H]1CCNC1=O ZINC000770381713 575443450 /nfs/dbraw/zinc/44/34/50/575443450.db2.gz PIXVYZOBWXODCJ-SNVBAGLBSA-N 1 2 254.717 1.366 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1F ZINC000769207385 576337348 /nfs/dbraw/zinc/33/73/48/576337348.db2.gz TVLIBJMPNRLPHT-ZDUSSCGKSA-N 1 2 291.370 1.698 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1F ZINC000769207385 576337349 /nfs/dbraw/zinc/33/73/49/576337349.db2.gz TVLIBJMPNRLPHT-ZDUSSCGKSA-N 1 2 291.370 1.698 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000756638796 576997947 /nfs/dbraw/zinc/99/79/47/576997947.db2.gz RUNHNBRIRPJVMY-JOYOIKCWSA-N 1 2 293.323 1.572 20 10 CDCDLO CN1CC[C@H]([N@H+](C)Cc2c(O)ccc(Cl)c2F)C1=O ZINC000792166943 695612612 /nfs/dbraw/zinc/61/26/12/695612612.db2.gz WAJGOIQQKFDAIO-JTQLQIEISA-N 1 2 286.734 1.847 20 10 CDCDLO CN1CC[C@H]([N@@H+](C)Cc2c(O)ccc(Cl)c2F)C1=O ZINC000792166943 695612616 /nfs/dbraw/zinc/61/26/16/695612616.db2.gz WAJGOIQQKFDAIO-JTQLQIEISA-N 1 2 286.734 1.847 20 10 CDCDLO COc1cccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c1O ZINC000783734591 695959467 /nfs/dbraw/zinc/95/94/67/695959467.db2.gz ULEOQMIZXOWDOB-SNVBAGLBSA-N 1 2 264.325 1.063 20 10 CDCDLO COc1cccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c1O ZINC000783734591 695959468 /nfs/dbraw/zinc/95/94/68/695959468.db2.gz ULEOQMIZXOWDOB-SNVBAGLBSA-N 1 2 264.325 1.063 20 10 CDCDLO CCOC(=O)C[N@H+](CCCO)Cc1ccccc1O ZINC000823581742 695995956 /nfs/dbraw/zinc/99/59/56/695995956.db2.gz ORNRCRPMMJEUGC-UHFFFAOYSA-N 1 2 267.325 1.140 20 10 CDCDLO CCOC(=O)C[N@@H+](CCCO)Cc1ccccc1O ZINC000823581742 695995961 /nfs/dbraw/zinc/99/59/61/695995961.db2.gz ORNRCRPMMJEUGC-UHFFFAOYSA-N 1 2 267.325 1.140 20 10 CDCDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000846053476 695715770 /nfs/dbraw/zinc/71/57/70/695715770.db2.gz ULSRYLPQLPFGBA-GHMZBOCLSA-N 1 2 271.744 1.627 20 10 CDCDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000846053476 695715776 /nfs/dbraw/zinc/71/57/76/695715776.db2.gz ULSRYLPQLPFGBA-GHMZBOCLSA-N 1 2 271.744 1.627 20 10 CDCDLO COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCC[NH2+]C2)c1 ZINC000817942370 695823865 /nfs/dbraw/zinc/82/38/65/695823865.db2.gz YCIYDHLWNWGYKK-PWSUYJOCSA-N 1 2 278.352 1.581 20 10 CDCDLO CN(C)c1noc(C[NH2+]Cc2cc(F)ccc2O)n1 ZINC000186415401 695945820 /nfs/dbraw/zinc/94/58/20/695945820.db2.gz GBZQMNPZEPWJPS-UHFFFAOYSA-N 1 2 266.276 1.270 20 10 CDCDLO CC(C)OCC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603354707 1175546468 /nfs/dbraw/zinc/54/64/68/1175546468.db2.gz WFKXEFOMWCTYOX-SNVBAGLBSA-N 1 2 291.355 1.648 20 10 CDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779499491 723735925 /nfs/dbraw/zinc/73/59/25/723735925.db2.gz IBYIECNAWUNCPQ-USEMIUTHSA-N 1 2 287.319 1.512 20 10 CDCDLO CCn1cc(C[NH2+][C@H](C)c2c(O)cccc2F)nn1 ZINC000886637879 723736339 /nfs/dbraw/zinc/73/63/39/723736339.db2.gz HDJIUJVZCPTSHV-SECBINFHSA-N 1 2 264.304 1.994 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000834906874 723775420 /nfs/dbraw/zinc/77/54/20/723775420.db2.gz IOHQWXVERUTYNQ-KHQFGBGNSA-N 1 2 284.306 1.975 20 10 CDCDLO CNC(=O)C[N@@H+](C)Cc1cccc(Br)c1O ZINC000132593786 724282226 /nfs/dbraw/zinc/28/22/26/724282226.db2.gz MHDJDUSUJXGKBY-UHFFFAOYSA-N 1 2 287.157 1.333 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H]1O ZINC000862386831 724455974 /nfs/dbraw/zinc/45/59/74/724455974.db2.gz BBFDHAHVWLHNLB-ZIAGYGMSSA-N 1 2 286.322 1.222 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H]1O ZINC000862386831 724455975 /nfs/dbraw/zinc/45/59/75/724455975.db2.gz BBFDHAHVWLHNLB-ZIAGYGMSSA-N 1 2 286.322 1.222 20 10 CDCDLO COc1ccc(N2CCC([NH2+]CC(F)(F)CN)CC2)cc1 ZINC000841060547 724590948 /nfs/dbraw/zinc/59/09/48/724590948.db2.gz ZTXDKIUMLRTSNY-UHFFFAOYSA-N 1 2 299.365 1.848 20 10 CDCDLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1c(O)cccc1F ZINC000886498678 724774657 /nfs/dbraw/zinc/77/46/57/724774657.db2.gz LWHBDBYSZLMBKV-VIFPVBQESA-N 1 2 276.315 1.920 20 10 CDCDLO COc1ccc(N(C)CC[N@H+](C)CN2CCC2=O)cc1 ZINC000857237178 724833366 /nfs/dbraw/zinc/83/33/66/724833366.db2.gz QHBNFSYPUGMHES-UHFFFAOYSA-N 1 2 277.368 1.253 20 10 CDCDLO COc1ccc(N(C)CC[N@@H+](C)CN2CCC2=O)cc1 ZINC000857237178 724833367 /nfs/dbraw/zinc/83/33/67/724833367.db2.gz QHBNFSYPUGMHES-UHFFFAOYSA-N 1 2 277.368 1.253 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](OC)C2)cc1 ZINC000878970170 723976120 /nfs/dbraw/zinc/97/61/20/723976120.db2.gz JYHWOIUSWUAUFH-OAHLLOKOSA-N 1 2 264.369 1.947 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](OC)C2)cc1 ZINC000878970170 723976126 /nfs/dbraw/zinc/97/61/26/723976126.db2.gz JYHWOIUSWUAUFH-OAHLLOKOSA-N 1 2 264.369 1.947 20 10 CDCDLO OCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715712233 725069507 /nfs/dbraw/zinc/06/95/07/725069507.db2.gz JZSFSEJEVWYRBX-UHFFFAOYSA-N 1 2 278.121 1.766 20 10 CDCDLO Nc1ccc(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000848395222 725325108 /nfs/dbraw/zinc/32/51/08/725325108.db2.gz QXBOSFAIHKSMBG-ZDUSSCGKSA-N 1 2 284.363 1.387 20 10 CDCDLO CCCOc1ccccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000819399267 725394508 /nfs/dbraw/zinc/39/45/08/725394508.db2.gz SFVFHWMGAFVKQM-AWEZNQCLSA-N 1 2 294.395 1.580 20 10 CDCDLO CCOC(=O)C[N@H+](C)Cc1cc(OCC)ccc1O ZINC000128596723 725406473 /nfs/dbraw/zinc/40/64/73/725406473.db2.gz LVZGOTPTDMPXGV-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CCOC(=O)C[N@@H+](C)Cc1cc(OCC)ccc1O ZINC000128596723 725406474 /nfs/dbraw/zinc/40/64/74/725406474.db2.gz LVZGOTPTDMPXGV-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO Cc1nonc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000809743986 725695222 /nfs/dbraw/zinc/69/52/22/725695222.db2.gz PLUDWQBYDWXLQE-UHFFFAOYSA-N 1 2 288.351 1.504 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1F ZINC001141139993 899779874 /nfs/dbraw/zinc/77/98/74/899779874.db2.gz GYZSASQKFVOUBW-SWLSCSKDSA-N 1 2 280.343 1.684 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1F ZINC001141139993 899779878 /nfs/dbraw/zinc/77/98/78/899779878.db2.gz GYZSASQKFVOUBW-SWLSCSKDSA-N 1 2 280.343 1.684 20 10 CDCDLO O=S1CC2(C[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC001140057858 936674845 /nfs/dbraw/zinc/67/48/45/936674845.db2.gz QCVOTSREMOZVSG-UHFFFAOYSA-N 1 2 255.314 1.096 20 10 CDCDLO NC(=O)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140467478 936713336 /nfs/dbraw/zinc/71/33/36/936713336.db2.gz VVBNAKBEGJJCIQ-UHFFFAOYSA-N 1 2 269.732 1.242 20 10 CDCDLO Oc1ccc(O)c(C[NH+]2CC(N3CCC(F)CC3)C2)c1 ZINC001141160426 936822431 /nfs/dbraw/zinc/82/24/31/936822431.db2.gz YCDKDWPLLNDBOE-UHFFFAOYSA-N 1 2 280.343 1.716 20 10 CDCDLO CN(c1ccc(N)[nH+]c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001201284731 926239670 /nfs/dbraw/zinc/23/96/70/926239670.db2.gz YTTLMZSKVKZYAZ-UHFFFAOYSA-N 1 2 292.364 1.212 20 10 CDCDLO CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)NC ZINC000697823717 937286733 /nfs/dbraw/zinc/28/67/33/937286733.db2.gz IJHGVNXWFMOUSO-SNVBAGLBSA-N 1 2 256.733 1.660 20 10 CDCDLO C[C@H](C(=O)NCc1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC001116566127 937456789 /nfs/dbraw/zinc/45/67/89/937456789.db2.gz PZEWHUHGBITTOP-SECBINFHSA-N 1 2 261.281 1.172 20 10 CDCDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1c(F)ccc(F)c1O)C2 ZINC001275362037 931749023 /nfs/dbraw/zinc/74/90/23/931749023.db2.gz DVQYNSCGYZPFOB-ZJUUUORDSA-N 1 2 268.307 1.806 20 10 CDCDLO C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1c(F)ccc(F)c1O)C2 ZINC001275362037 931749026 /nfs/dbraw/zinc/74/90/26/931749026.db2.gz DVQYNSCGYZPFOB-ZJUUUORDSA-N 1 2 268.307 1.806 20 10 CDCDLO OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1cccc(F)c1O ZINC001138131125 932480777 /nfs/dbraw/zinc/48/07/77/932480777.db2.gz RBXAZOUYHXKKRJ-ZDUSSCGKSA-N 1 2 291.326 1.495 20 10 CDCDLO OC[C@@H]1CCn2nccc2C[N@H+]1Cc1cccc(F)c1O ZINC001138131125 932480779 /nfs/dbraw/zinc/48/07/79/932480779.db2.gz RBXAZOUYHXKKRJ-ZDUSSCGKSA-N 1 2 291.326 1.495 20 10 CDCDLO Cc1cc(C)c(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC001231846998 943027363 /nfs/dbraw/zinc/02/73/63/943027363.db2.gz UDUYBMMSUJIFSR-JQWIXIFHSA-N 1 2 266.316 1.407 20 10 CDCDLO Cc1cc(C)c(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC001231846998 943027368 /nfs/dbraw/zinc/02/73/68/943027368.db2.gz UDUYBMMSUJIFSR-JQWIXIFHSA-N 1 2 266.316 1.407 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1Cl ZINC001232265361 943194377 /nfs/dbraw/zinc/19/43/77/943194377.db2.gz URKTWSBRLDXXPM-LLVKDONJSA-N 1 2 298.770 1.894 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1Cl ZINC001232265361 943194383 /nfs/dbraw/zinc/19/43/83/943194383.db2.gz URKTWSBRLDXXPM-LLVKDONJSA-N 1 2 298.770 1.894 20 10 CDCDLO CC(=O)OC1C[NH+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232838774 943415417 /nfs/dbraw/zinc/41/54/17/943415417.db2.gz JFFFQKBNZWGOTD-UHFFFAOYSA-N 1 2 264.325 1.206 20 10 CDCDLO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233074317 943485537 /nfs/dbraw/zinc/48/55/37/943485537.db2.gz MTLACJDAXWVDFG-WPRPVWTQSA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233074317 943485539 /nfs/dbraw/zinc/48/55/39/943485539.db2.gz MTLACJDAXWVDFG-WPRPVWTQSA-N 1 2 257.280 1.873 20 10 CDCDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233485621 943593083 /nfs/dbraw/zinc/59/30/83/943593083.db2.gz DINQETHJUVZTNM-JTQLQIEISA-N 1 2 281.308 1.331 20 10 CDCDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233485621 943593086 /nfs/dbraw/zinc/59/30/86/943593086.db2.gz DINQETHJUVZTNM-JTQLQIEISA-N 1 2 281.308 1.331 20 10 CDCDLO CCc1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(O)c1 ZINC001236783314 944566089 /nfs/dbraw/zinc/56/60/89/944566089.db2.gz JYNHWOCSORGSKN-MRXNPFEDSA-N 1 2 290.407 1.861 20 10 CDCDLO CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001596499067 984246866 /nfs/dbraw/zinc/24/68/66/984246866.db2.gz FVPVJNYQVAOVFC-ZJUUUORDSA-N 1 2 266.341 1.739 20 10 CDCDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000265625635 363356801 /nfs/dbraw/zinc/35/68/01/363356801.db2.gz OHNCEXLXYUDQNC-ZLMDCXFVSA-N 1 2 297.376 1.462 20 10 CDCDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000265625635 363356804 /nfs/dbraw/zinc/35/68/04/363356804.db2.gz OHNCEXLXYUDQNC-ZLMDCXFVSA-N 1 2 297.376 1.462 20 10 CDCDLO COC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000180327888 357263476 /nfs/dbraw/zinc/26/34/76/357263476.db2.gz JRQPAXNZCIZFJU-LLVKDONJSA-N 1 2 271.744 1.893 20 10 CDCDLO COC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000180327888 357263483 /nfs/dbraw/zinc/26/34/83/357263483.db2.gz JRQPAXNZCIZFJU-LLVKDONJSA-N 1 2 271.744 1.893 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](CO)C2)c1O ZINC000273739695 365520436 /nfs/dbraw/zinc/52/04/36/365520436.db2.gz LSMSWHNOXKSKBQ-LLVKDONJSA-N 1 2 287.743 1.247 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](CO)C2)c1O ZINC000273739695 365520442 /nfs/dbraw/zinc/52/04/42/365520442.db2.gz LSMSWHNOXKSKBQ-LLVKDONJSA-N 1 2 287.743 1.247 20 10 CDCDLO OC[C@@]1([NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000184193786 262272339 /nfs/dbraw/zinc/27/23/39/262272339.db2.gz QZVVLEAPYPCKPQ-LBPRGKRZSA-N 1 2 257.717 1.287 20 10 CDCDLO CCNC(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000121589910 390888907 /nfs/dbraw/zinc/88/89/07/390888907.db2.gz JHGIQFWQGQGQMQ-UHFFFAOYSA-N 1 2 297.786 1.893 20 10 CDCDLO C[N@H+](Cc1nnc2n1CCCC2)Cc1ccccc1O ZINC000264674510 523611021 /nfs/dbraw/zinc/61/10/21/523611021.db2.gz AFCHXDDIRCLKGK-UHFFFAOYSA-N 1 2 272.352 1.952 20 10 CDCDLO C[N@@H+](Cc1nnc2n1CCCC2)Cc1ccccc1O ZINC000264674510 523611036 /nfs/dbraw/zinc/61/10/36/523611036.db2.gz AFCHXDDIRCLKGK-UHFFFAOYSA-N 1 2 272.352 1.952 20 10 CDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(OC)ccc1O ZINC000280181436 523876962 /nfs/dbraw/zinc/87/69/62/523876962.db2.gz AEQOIZBYOILCGN-VIFPVBQESA-N 1 2 253.298 1.394 20 10 CDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000280181436 523876969 /nfs/dbraw/zinc/87/69/69/523876969.db2.gz AEQOIZBYOILCGN-VIFPVBQESA-N 1 2 253.298 1.394 20 10 CDCDLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC000274889098 527484482 /nfs/dbraw/zinc/48/44/82/527484482.db2.gz DFIMCFFUOVYSRA-UHFFFAOYSA-N 1 2 291.738 1.687 20 10 CDCDLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC000274889098 527484488 /nfs/dbraw/zinc/48/44/88/527484488.db2.gz DFIMCFFUOVYSRA-UHFFFAOYSA-N 1 2 291.738 1.687 20 10 CDCDLO CN(C)c1ccc(CNC(=O)C2=CC(=O)CS2)c[nH+]1 ZINC000731868899 575068603 /nfs/dbraw/zinc/06/86/03/575068603.db2.gz CMQFVGGMOUOASC-UHFFFAOYSA-N 1 2 277.349 1.845 20 10 CDCDLO c1n[nH]c2c1CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000769468486 576357126 /nfs/dbraw/zinc/35/71/26/576357126.db2.gz JPDHCHVARNPIAZ-UHFFFAOYSA-N 1 2 298.390 1.805 20 10 CDCDLO c1n[nH]c2c1CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000769468486 576357127 /nfs/dbraw/zinc/35/71/27/576357127.db2.gz JPDHCHVARNPIAZ-UHFFFAOYSA-N 1 2 298.390 1.805 20 10 CDCDLO c1[nH]nc2c1CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000769468486 576357128 /nfs/dbraw/zinc/35/71/28/576357128.db2.gz JPDHCHVARNPIAZ-UHFFFAOYSA-N 1 2 298.390 1.805 20 10 CDCDLO c1[nH]nc2c1CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000769468486 576357129 /nfs/dbraw/zinc/35/71/29/576357129.db2.gz JPDHCHVARNPIAZ-UHFFFAOYSA-N 1 2 298.390 1.805 20 10 CDCDLO COC(=O)C[N@H+](Cc1cc(C)cc(OC)c1O)C1CC1 ZINC000754738913 576913313 /nfs/dbraw/zinc/91/33/13/576913313.db2.gz HYVUJJCVCZHKLC-UHFFFAOYSA-N 1 2 279.336 1.847 20 10 CDCDLO COC(=O)C[N@@H+](Cc1cc(C)cc(OC)c1O)C1CC1 ZINC000754738913 576913315 /nfs/dbraw/zinc/91/33/15/576913315.db2.gz HYVUJJCVCZHKLC-UHFFFAOYSA-N 1 2 279.336 1.847 20 10 CDCDLO C[C@H](CC(=O)NCc1ccc(O)cc1O)n1cc[nH+]c1 ZINC000910943877 629125251 /nfs/dbraw/zinc/12/52/51/629125251.db2.gz PNPPTZYXGKDIPA-SNVBAGLBSA-N 1 2 275.308 1.562 20 10 CDCDLO OC[C@H](CCF)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000846099858 726305105 /nfs/dbraw/zinc/30/51/05/726305105.db2.gz KYPRNMWOZXQCLR-VIFPVBQESA-N 1 2 265.687 1.995 20 10 CDCDLO Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)c(O)c1O ZINC000780944002 726949173 /nfs/dbraw/zinc/94/91/73/726949173.db2.gz QOIMMJZPIBWNSZ-UHFFFAOYSA-N 1 2 273.292 1.300 20 10 CDCDLO C[C@@H]1C[NH+](Cc2cc(F)ccc2O)C[C@@H](C)S1=O ZINC000792192726 727002349 /nfs/dbraw/zinc/00/23/49/727002349.db2.gz PODZMFQBZYLVLQ-NXEZZACHSA-N 1 2 271.357 1.873 20 10 CDCDLO O=C(OCCCn1cc[nH+]c1)c1cccc(O)c1O ZINC000784788154 727141794 /nfs/dbraw/zinc/14/17/94/727141794.db2.gz PRHURCCPABZDPW-UHFFFAOYSA-N 1 2 262.265 1.541 20 10 CDCDLO CCC[N@H+](CC(N)=O)Cc1c(O)cccc1Cl ZINC000310453741 727352937 /nfs/dbraw/zinc/35/29/37/727352937.db2.gz WFLMSYWXILAMNQ-UHFFFAOYSA-N 1 2 256.733 1.743 20 10 CDCDLO CCC[N@@H+](CC(N)=O)Cc1c(O)cccc1Cl ZINC000310453741 727352940 /nfs/dbraw/zinc/35/29/40/727352940.db2.gz WFLMSYWXILAMNQ-UHFFFAOYSA-N 1 2 256.733 1.743 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](CF)C2)cc1OC ZINC000840172479 727356000 /nfs/dbraw/zinc/35/60/00/727356000.db2.gz RASRXEOXDRAYRZ-NSHDSACASA-N 1 2 285.315 1.580 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](CF)C2)cc1OC ZINC000840172479 727356002 /nfs/dbraw/zinc/35/60/02/727356002.db2.gz RASRXEOXDRAYRZ-NSHDSACASA-N 1 2 285.315 1.580 20 10 CDCDLO C[C@@H](CC(N)=O)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776251222 727367796 /nfs/dbraw/zinc/36/77/96/727367796.db2.gz RIJCVBNURBYDME-LURJTMIESA-N 1 2 260.696 1.538 20 10 CDCDLO Nc1ccc(CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000831442901 727393775 /nfs/dbraw/zinc/39/37/75/727393775.db2.gz ABPXACAWLVRKLP-OAHLLOKOSA-N 1 2 296.374 1.601 20 10 CDCDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnn(C)n2)c(O)c1C ZINC000787044896 727458195 /nfs/dbraw/zinc/45/81/95/727458195.db2.gz WUEHZTNADLAEFE-SNVBAGLBSA-N 1 2 261.329 1.383 20 10 CDCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@H]1COCCO1 ZINC000827141644 728110108 /nfs/dbraw/zinc/11/01/08/728110108.db2.gz WIJSXEXVQDTWAR-NSHDSACASA-N 1 2 271.744 1.893 20 10 CDCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@H]1COCCO1 ZINC000827141644 728110111 /nfs/dbraw/zinc/11/01/11/728110111.db2.gz WIJSXEXVQDTWAR-NSHDSACASA-N 1 2 271.744 1.893 20 10 CDCDLO C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001609774841 1165076682 /nfs/dbraw/zinc/07/66/82/1165076682.db2.gz CFBAXJIAAHVVHV-NRUUGDAUSA-N 1 2 278.352 1.739 20 10 CDCDLO C[N@H+](Cc1cccc(F)c1O)C1CCS(=O)(=O)CC1 ZINC000710698797 903398947 /nfs/dbraw/zinc/39/89/47/903398947.db2.gz ZPJCYZROSISEDY-UHFFFAOYSA-N 1 2 287.356 1.540 20 10 CDCDLO C[N@@H+](Cc1cccc(F)c1O)C1CCS(=O)(=O)CC1 ZINC000710698797 903398964 /nfs/dbraw/zinc/39/89/64/903398964.db2.gz ZPJCYZROSISEDY-UHFFFAOYSA-N 1 2 287.356 1.540 20 10 CDCDLO C[N@H+](CCO)Cc1c(O)cc(Br)cc1F ZINC001236256553 914832346 /nfs/dbraw/zinc/83/23/46/914832346.db2.gz OSAURRHTRWSDRQ-UHFFFAOYSA-N 1 2 278.121 1.718 20 10 CDCDLO C[N@@H+](CCO)Cc1c(O)cc(Br)cc1F ZINC001236256553 914832361 /nfs/dbraw/zinc/83/23/61/914832361.db2.gz OSAURRHTRWSDRQ-UHFFFAOYSA-N 1 2 278.121 1.718 20 10 CDCDLO O=C1COC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)CCN12 ZINC001140465410 936712286 /nfs/dbraw/zinc/71/22/86/936712286.db2.gz MEHBLUJBJLRRGD-LBPRGKRZSA-N 1 2 296.754 1.089 20 10 CDCDLO O=C1COC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3O)CCN12 ZINC001140465410 936712288 /nfs/dbraw/zinc/71/22/88/936712288.db2.gz MEHBLUJBJLRRGD-LBPRGKRZSA-N 1 2 296.754 1.089 20 10 CDCDLO CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140462259 936712355 /nfs/dbraw/zinc/71/23/55/936712355.db2.gz CIYBGFNNINDWKI-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO CCN1CC[N@H+](Cc2c(O)cc(OC)cc2OC)C[C@H]1C ZINC001141032385 936795944 /nfs/dbraw/zinc/79/59/44/936795944.db2.gz AEKCVXVPFZNCHF-GFCCVEGCSA-N 1 2 294.395 1.935 20 10 CDCDLO CCN1CC[N@@H+](Cc2c(O)cc(OC)cc2OC)C[C@H]1C ZINC001141032385 936795946 /nfs/dbraw/zinc/79/59/46/936795946.db2.gz AEKCVXVPFZNCHF-GFCCVEGCSA-N 1 2 294.395 1.935 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c(OC)c1 ZINC001141032945 936795975 /nfs/dbraw/zinc/79/59/75/936795975.db2.gz UHYNLSYGOAJPAI-GHMZBOCLSA-N 1 2 279.336 1.773 20 10 CDCDLO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c(OC)c1 ZINC001141032945 936795976 /nfs/dbraw/zinc/79/59/76/936795976.db2.gz UHYNLSYGOAJPAI-GHMZBOCLSA-N 1 2 279.336 1.773 20 10 CDCDLO O=C1NCCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000839195850 936908251 /nfs/dbraw/zinc/90/82/51/936908251.db2.gz OKUNOGOESCPULV-QMMMGPOBSA-N 1 2 286.734 1.801 20 10 CDCDLO C[C@H](C[NH3+])NCc1cc(Br)ccc1O ZINC000841059544 925291727 /nfs/dbraw/zinc/29/17/27/925291727.db2.gz FMYCKDJBKNPXRL-SSDOTTSWSA-N 1 2 259.147 1.592 20 10 CDCDLO NC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775637658 929756720 /nfs/dbraw/zinc/75/67/20/929756720.db2.gz UDOGNMKAQKICQY-ZETCQYMHSA-N 1 2 272.707 1.492 20 10 CDCDLO NC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775637658 929756723 /nfs/dbraw/zinc/75/67/23/929756723.db2.gz UDOGNMKAQKICQY-ZETCQYMHSA-N 1 2 272.707 1.492 20 10 CDCDLO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779213170 934479606 /nfs/dbraw/zinc/47/96/06/934479606.db2.gz DGDBAYWNGGVBHN-KMOQFTEPSA-N 1 2 299.330 1.439 20 10 CDCDLO Nc1[nH]c2cc(C(=O)NCc3ccccc3O)ccc2[nH+]1 ZINC001156975935 938441204 /nfs/dbraw/zinc/44/12/04/938441204.db2.gz XYXMRTHDCIHNDN-UHFFFAOYSA-N 1 2 282.303 1.781 20 10 CDCDLO COc1ccc(C[N@@H+]2CCn3cncc3C2)c(O)c1 ZINC001203629116 939697553 /nfs/dbraw/zinc/69/75/53/939697553.db2.gz RCCYUPNALSCYIA-UHFFFAOYSA-N 1 2 259.309 1.613 20 10 CDCDLO COc1ccc(C[N@H+]2CCn3cncc3C2)c(O)c1 ZINC001203629116 939697554 /nfs/dbraw/zinc/69/75/54/939697554.db2.gz RCCYUPNALSCYIA-UHFFFAOYSA-N 1 2 259.309 1.613 20 10 CDCDLO Oc1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1O ZINC001203873569 939709752 /nfs/dbraw/zinc/70/97/52/939709752.db2.gz GGDQMCFRYYYHJN-UHFFFAOYSA-N 1 2 286.335 1.210 20 10 CDCDLO Cc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)c1O ZINC001231592474 942938147 /nfs/dbraw/zinc/93/81/47/942938147.db2.gz MXSCCAUKHDYWPY-QWRGUYRKSA-N 1 2 252.289 1.098 20 10 CDCDLO Cc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)c1O ZINC001231592474 942938153 /nfs/dbraw/zinc/93/81/53/942938153.db2.gz MXSCCAUKHDYWPY-QWRGUYRKSA-N 1 2 252.289 1.098 20 10 CDCDLO C[N@H+](C1CN(Cc2cccc(Cl)c2O)C1)[C@H]1CCOC1 ZINC001231912720 943052993 /nfs/dbraw/zinc/05/29/93/943052993.db2.gz UKKDXCCTWUEMGM-LBPRGKRZSA-N 1 2 296.798 1.951 20 10 CDCDLO C[N@@H+](C1CN(Cc2cccc(Cl)c2O)C1)[C@H]1CCOC1 ZINC001231912720 943052997 /nfs/dbraw/zinc/05/29/97/943052997.db2.gz UKKDXCCTWUEMGM-LBPRGKRZSA-N 1 2 296.798 1.951 20 10 CDCDLO C[NH+]1CC2(CN(Cc3ccc(F)c(F)c3O)C2)C1 ZINC001233080152 943486932 /nfs/dbraw/zinc/48/69/32/943486932.db2.gz RCBPDLYEJQMCSS-UHFFFAOYSA-N 1 2 254.280 1.418 20 10 CDCDLO COc1cc(O)c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1OC ZINC001236752924 944557263 /nfs/dbraw/zinc/55/72/63/944557263.db2.gz YEHUYJHCPMZTIS-PHIMTYICSA-N 1 2 265.309 1.383 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1OC ZINC001236752924 944557266 /nfs/dbraw/zinc/55/72/66/944557266.db2.gz YEHUYJHCPMZTIS-PHIMTYICSA-N 1 2 265.309 1.383 20 10 CDCDLO O=C1N[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C[C@@H]2CO1 ZINC001262111313 946442977 /nfs/dbraw/zinc/44/29/77/946442977.db2.gz CAAKKHZILPOEMU-SKDRFNHKSA-N 1 2 298.289 1.601 20 10 CDCDLO O=C1N[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C[C@@H]2CO1 ZINC001262111313 946442982 /nfs/dbraw/zinc/44/29/82/946442982.db2.gz CAAKKHZILPOEMU-SKDRFNHKSA-N 1 2 298.289 1.601 20 10 CDCDLO O=C(C[NH2+]Cc1cccc(Cl)c1O)N1CCCO1 ZINC001308978155 956607930 /nfs/dbraw/zinc/60/79/30/956607930.db2.gz VDDSVZHWBIMGBU-UHFFFAOYSA-N 1 2 270.716 1.299 20 10 CDCDLO COc1ccc(O)c(C[N@H+](CCS(C)(=O)=O)C2CC2)c1 ZINC000180576591 357276326 /nfs/dbraw/zinc/27/63/26/357276326.db2.gz SLNJEPTVKMKKCZ-UHFFFAOYSA-N 1 2 299.392 1.410 20 10 CDCDLO COc1ccc(O)c(C[N@@H+](CCS(C)(=O)=O)C2CC2)c1 ZINC000180576591 357276331 /nfs/dbraw/zinc/27/63/31/357276331.db2.gz SLNJEPTVKMKKCZ-UHFFFAOYSA-N 1 2 299.392 1.410 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(F)c(F)c1O ZINC000187728409 357799763 /nfs/dbraw/zinc/79/97/63/357799763.db2.gz JUUZJQWGKCPLSG-RKDXNWHRSA-N 1 2 284.306 1.942 20 10 CDCDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000367670555 358206226 /nfs/dbraw/zinc/20/62/26/358206226.db2.gz NMASFZUXNBSDEH-QMMMGPOBSA-N 1 2 286.734 1.895 20 10 CDCDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000367670555 358206231 /nfs/dbraw/zinc/20/62/31/358206231.db2.gz NMASFZUXNBSDEH-QMMMGPOBSA-N 1 2 286.734 1.895 20 10 CDCDLO C[C@H]([NH2+]CCC(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000187684911 299287374 /nfs/dbraw/zinc/28/73/74/299287374.db2.gz UQOPPLWTXHBPMX-QMMMGPOBSA-N 1 2 272.295 1.799 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCN(CC)C(=O)C2)c1O ZINC000273524527 365503551 /nfs/dbraw/zinc/50/35/51/365503551.db2.gz TVQZVDGLFXAGQL-UHFFFAOYSA-N 1 2 278.352 1.455 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCN(CC)C(=O)C2)c1O ZINC000273524527 365503559 /nfs/dbraw/zinc/50/35/59/365503559.db2.gz TVQZVDGLFXAGQL-UHFFFAOYSA-N 1 2 278.352 1.455 20 10 CDCDLO CN1CCC[N@H+](Cc2cccc(F)c2O)CC1=O ZINC000375573858 370864233 /nfs/dbraw/zinc/86/42/33/370864233.db2.gz YGTNCAXMTGWLRL-UHFFFAOYSA-N 1 2 252.289 1.195 20 10 CDCDLO CN1CCC[N@@H+](Cc2cccc(F)c2O)CC1=O ZINC000375573858 370864241 /nfs/dbraw/zinc/86/42/41/370864241.db2.gz YGTNCAXMTGWLRL-UHFFFAOYSA-N 1 2 252.289 1.195 20 10 CDCDLO COc1cccc(C[N@@H+]2CC(=O)NCC2(C)C)c1O ZINC000282846481 368065313 /nfs/dbraw/zinc/06/53/13/368065313.db2.gz WAFKLHMCUDKDQD-UHFFFAOYSA-N 1 2 264.325 1.111 20 10 CDCDLO COc1cccc(C[N@H+]2CC(=O)NCC2(C)C)c1O ZINC000282846481 368065318 /nfs/dbraw/zinc/06/53/18/368065318.db2.gz WAFKLHMCUDKDQD-UHFFFAOYSA-N 1 2 264.325 1.111 20 10 CDCDLO CC[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cccc(Cl)c1O ZINC000296000693 378706289 /nfs/dbraw/zinc/70/62/89/378706289.db2.gz QHQXPXMHBQELLV-QJPTWQEYSA-N 1 2 271.744 1.846 20 10 CDCDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000131452292 390927851 /nfs/dbraw/zinc/92/78/51/390927851.db2.gz HYLHCBVLYKLPAA-OAHLLOKOSA-N 1 2 293.386 1.848 20 10 CDCDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000131452292 390927852 /nfs/dbraw/zinc/92/78/52/390927852.db2.gz HYLHCBVLYKLPAA-OAHLLOKOSA-N 1 2 293.386 1.848 20 10 CDCDLO COC[C@@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1O)OC ZINC000276916070 263038591 /nfs/dbraw/zinc/03/85/91/263038591.db2.gz LQYIRUMNELVJOQ-RKDXNWHRSA-N 1 2 275.295 1.982 20 10 CDCDLO COc1cc(O)c(C[NH2+][C@@]2(C)CCOC2=O)cc1OC ZINC000290363410 522781357 /nfs/dbraw/zinc/78/13/57/522781357.db2.gz ADFXVWUIWKFGNU-AWEZNQCLSA-N 1 2 281.308 1.205 20 10 CDCDLO COc1ccc(O)c([C@H](C)NC(=O)c2c[nH+]c(C)[nH]2)c1 ZINC000732286874 575086996 /nfs/dbraw/zinc/08/69/96/575086996.db2.gz JOVARKHKZGYOGR-QMMMGPOBSA-N 1 2 275.308 1.923 20 10 CDCDLO O=C1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCN1 ZINC000768438266 576282772 /nfs/dbraw/zinc/28/27/72/576282772.db2.gz QZKJBJXQXANOLH-UHFFFAOYSA-N 1 2 260.337 1.203 20 10 CDCDLO O=C1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCN1 ZINC000768438266 576282773 /nfs/dbraw/zinc/28/27/73/576282773.db2.gz QZKJBJXQXANOLH-UHFFFAOYSA-N 1 2 260.337 1.203 20 10 CDCDLO O=C(/C=C/c1ccc(O)c(O)c1)OCCn1cc[nH+]c1 ZINC000759597309 576409424 /nfs/dbraw/zinc/40/94/24/576409424.db2.gz QMQPAQCXEOXRTM-DUXPYHPUSA-N 1 2 274.276 1.551 20 10 CDCDLO COC[C@H](CCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756591935 576997201 /nfs/dbraw/zinc/99/72/01/576997201.db2.gz HEURIXRPYASKRE-WPRPVWTQSA-N 1 2 275.295 1.718 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CCO[C@H](OC)C2)c1 ZINC000895969185 619927745 /nfs/dbraw/zinc/92/77/45/619927745.db2.gz YTRBRUCWZPHKMM-ZDUSSCGKSA-N 1 2 253.298 1.206 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CCO[C@H](OC)C2)c1 ZINC000895969185 619927750 /nfs/dbraw/zinc/92/77/50/619927750.db2.gz YTRBRUCWZPHKMM-ZDUSSCGKSA-N 1 2 253.298 1.206 20 10 CDCDLO CC[C@H](O)CC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604067152 1175746382 /nfs/dbraw/zinc/74/63/82/1175746382.db2.gz VCYMWRBYXJIHNE-ZJUUUORDSA-N 1 2 291.355 1.384 20 10 CDCDLO OCCCC[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000775690545 728802780 /nfs/dbraw/zinc/80/27/80/728802780.db2.gz PEMOLGWGUGQKCJ-UHFFFAOYSA-N 1 2 298.814 1.936 20 10 CDCDLO CCc1cccc(C[NH2+][C@@H](C(=O)OC)C2CC2)c1O ZINC000848906415 728819315 /nfs/dbraw/zinc/81/93/15/728819315.db2.gz UWYQMTFRRZASJQ-CYBMUJFWSA-N 1 2 263.337 1.996 20 10 CDCDLO Oc1ccc(Cl)cc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000827120743 728463096 /nfs/dbraw/zinc/46/30/96/728463096.db2.gz VKZBWJIIMUJVMZ-AWEZNQCLSA-N 1 2 296.798 1.952 20 10 CDCDLO Oc1ccc(Cl)cc1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000827120743 728463103 /nfs/dbraw/zinc/46/31/03/728463103.db2.gz VKZBWJIIMUJVMZ-AWEZNQCLSA-N 1 2 296.798 1.952 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000160159245 729041060 /nfs/dbraw/zinc/04/10/60/729041060.db2.gz KSULBVILDRFQQL-LBPRGKRZSA-N 1 2 278.352 1.420 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000160159245 729041065 /nfs/dbraw/zinc/04/10/65/729041065.db2.gz KSULBVILDRFQQL-LBPRGKRZSA-N 1 2 278.352 1.420 20 10 CDCDLO Oc1c(Br)cccc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000850418014 729085336 /nfs/dbraw/zinc/08/53/36/729085336.db2.gz VNQRKLBNKBHCHO-KYZUINATSA-N 1 2 272.142 1.768 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2CC[C@](F)(CO)C2)c1O ZINC000802661047 729360599 /nfs/dbraw/zinc/36/05/99/729360599.db2.gz FHVVVMGDHRDCMB-CYBMUJFWSA-N 1 2 289.734 1.961 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2CC[C@](F)(CO)C2)c1O ZINC000802661047 729360601 /nfs/dbraw/zinc/36/06/01/729360601.db2.gz FHVVVMGDHRDCMB-CYBMUJFWSA-N 1 2 289.734 1.961 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817419013 729695048 /nfs/dbraw/zinc/69/50/48/729695048.db2.gz OCQBMYDLEYBTDU-SNVBAGLBSA-N 1 2 293.758 1.527 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c(O)c1 ZINC000779200068 729883557 /nfs/dbraw/zinc/88/35/57/729883557.db2.gz SSVUSHORVATEHW-LLVKDONJSA-N 1 2 278.352 1.453 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)c(O)c1 ZINC000779200068 729883559 /nfs/dbraw/zinc/88/35/59/729883559.db2.gz SSVUSHORVATEHW-LLVKDONJSA-N 1 2 278.352 1.453 20 10 CDCDLO COc1ccc(O)c(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000847590897 730397935 /nfs/dbraw/zinc/39/79/35/730397935.db2.gz KDCCANXXIZICEX-JTQLQIEISA-N 1 2 289.335 1.619 20 10 CDCDLO COc1ccc(O)c(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000847590897 730397939 /nfs/dbraw/zinc/39/79/39/730397939.db2.gz KDCCANXXIZICEX-JTQLQIEISA-N 1 2 289.335 1.619 20 10 CDCDLO [NH3+][C@]12CC[C@@H]1CN(Cc1c(O)cc(F)cc1F)C2 ZINC001235987112 914489635 /nfs/dbraw/zinc/48/96/35/914489635.db2.gz FOBDSRQPHSIBHO-OQPBUACISA-N 1 2 254.280 1.594 20 10 CDCDLO C[C@@]1(CO)C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1O ZINC001231910396 911877788 /nfs/dbraw/zinc/87/77/88/911877788.db2.gz OGWDWQHATOWVSU-OCCSQVGLSA-N 1 2 285.771 1.611 20 10 CDCDLO C[C@@]1(CO)C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1O ZINC001231910396 911877792 /nfs/dbraw/zinc/87/77/92/911877792.db2.gz OGWDWQHATOWVSU-OCCSQVGLSA-N 1 2 285.771 1.611 20 10 CDCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCOC[C@H](O)C1 ZINC001236794516 916431971 /nfs/dbraw/zinc/43/19/71/916431971.db2.gz SKQHPMZTVPXHSJ-SECBINFHSA-N 1 2 292.162 1.892 20 10 CDCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC001236794516 916431980 /nfs/dbraw/zinc/43/19/80/916431980.db2.gz SKQHPMZTVPXHSJ-SECBINFHSA-N 1 2 292.162 1.892 20 10 CDCDLO CC(=O)N(C)C1C[NH+](Cc2cc(F)ccc2O)C1 ZINC001140055270 936674401 /nfs/dbraw/zinc/67/44/01/936674401.db2.gz PSZDYAWDNWAVBH-UHFFFAOYSA-N 1 2 252.289 1.194 20 10 CDCDLO CC[N@H+](Cc1cc(F)ccc1O)[C@@H](C)C(=O)OC ZINC001140056223 936674507 /nfs/dbraw/zinc/67/45/07/936674507.db2.gz MXHQAWRQRVKRKP-VIFPVBQESA-N 1 2 255.289 1.915 20 10 CDCDLO CC[N@@H+](Cc1cc(F)ccc1O)[C@@H](C)C(=O)OC ZINC001140056223 936674508 /nfs/dbraw/zinc/67/45/08/936674508.db2.gz MXHQAWRQRVKRKP-VIFPVBQESA-N 1 2 255.289 1.915 20 10 CDCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001140582979 936727349 /nfs/dbraw/zinc/72/73/49/936727349.db2.gz RQUMPGIDFWNAEL-CMPLNLGQSA-N 1 2 275.270 1.965 20 10 CDCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001140582979 936727350 /nfs/dbraw/zinc/72/73/50/936727350.db2.gz RQUMPGIDFWNAEL-CMPLNLGQSA-N 1 2 275.270 1.965 20 10 CDCDLO CN1CCOc2cc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)ccc21 ZINC001141144054 936819760 /nfs/dbraw/zinc/81/97/60/936819760.db2.gz UZPXCLZDDZXSAM-BETUJISGSA-N 1 2 260.337 1.488 20 10 CDCDLO CN1CCOc2cc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)ccc21 ZINC001141144054 936819763 /nfs/dbraw/zinc/81/97/63/936819763.db2.gz UZPXCLZDDZXSAM-BETUJISGSA-N 1 2 260.337 1.488 20 10 CDCDLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000711699337 923814993 /nfs/dbraw/zinc/81/49/93/923814993.db2.gz WGRZYDOCUWWCIF-KCJUWKMLSA-N 1 2 289.784 1.568 20 10 CDCDLO Oc1cccc(F)c1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222675435 941624777 /nfs/dbraw/zinc/62/47/77/941624777.db2.gz ZMWWMXDGFFKCNS-INIZCTEOSA-N 1 2 293.386 1.449 20 10 CDCDLO COc1cc(C[N@@H+]2CCC(=O)[C@H](C)C2)c(O)cc1O ZINC001231634077 942949414 /nfs/dbraw/zinc/94/94/14/942949414.db2.gz HOPFNJNPXRBFSB-SECBINFHSA-N 1 2 265.309 1.517 20 10 CDCDLO COc1cc(C[N@H+]2CCC(=O)[C@H](C)C2)c(O)cc1O ZINC001231634077 942949420 /nfs/dbraw/zinc/94/94/20/942949420.db2.gz HOPFNJNPXRBFSB-SECBINFHSA-N 1 2 265.309 1.517 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260423 943191735 /nfs/dbraw/zinc/19/17/35/943191735.db2.gz QADPWNFGSQMMMI-PSASIEDQSA-N 1 2 289.734 1.904 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260423 943191740 /nfs/dbraw/zinc/19/17/40/943191740.db2.gz QADPWNFGSQMMMI-PSASIEDQSA-N 1 2 289.734 1.904 20 10 CDCDLO CC[N@H+](CCC(N)=O)Cc1cc(F)cc(Cl)c1O ZINC001237812162 944962667 /nfs/dbraw/zinc/96/26/67/944962667.db2.gz DPBUBRRITXPISB-UHFFFAOYSA-N 1 2 274.723 1.882 20 10 CDCDLO CC[N@@H+](CCC(N)=O)Cc1cc(F)cc(Cl)c1O ZINC001237812162 944962671 /nfs/dbraw/zinc/96/26/71/944962671.db2.gz DPBUBRRITXPISB-UHFFFAOYSA-N 1 2 274.723 1.882 20 10 CDCDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(N)cc1 ZINC001340848069 963156759 /nfs/dbraw/zinc/15/67/59/963156759.db2.gz ONFANEUTWMMOIO-CHWSQXEVSA-N 1 2 270.336 1.769 20 10 CDCDLO C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(C(=O)[O-])ccc1O ZINC001593252082 994502491 /nfs/dbraw/zinc/50/24/91/994502491.db2.gz NHPMECIIKMJWCV-ZYHUDNBSSA-N 1 2 278.352 1.883 20 10 CDCDLO COCC[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000281797528 367687288 /nfs/dbraw/zinc/68/72/88/367687288.db2.gz YECDCEUIRSOAJK-NXEZZACHSA-N 1 2 284.312 1.348 20 10 CDCDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C)ccc1N(C)C ZINC000292958138 370460056 /nfs/dbraw/zinc/46/00/56/370460056.db2.gz CLXONWKQEDBNKN-LBPRGKRZSA-N 1 2 261.369 1.381 20 10 CDCDLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C)ccc1N(C)C ZINC000292958138 370460063 /nfs/dbraw/zinc/46/00/63/370460063.db2.gz CLXONWKQEDBNKN-LBPRGKRZSA-N 1 2 261.369 1.381 20 10 CDCDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ncn(C)n1 ZINC000275383922 371202533 /nfs/dbraw/zinc/20/25/33/371202533.db2.gz ABKKUGAJPOKHIE-LLVKDONJSA-N 1 2 259.357 1.732 20 10 CDCDLO CCOCCOC1C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000297637162 372007134 /nfs/dbraw/zinc/00/71/34/372007134.db2.gz MMMCRUPUWPGECW-UHFFFAOYSA-N 1 2 295.335 1.358 20 10 CDCDLO CN1CCC[N@H+](Cc2cccc(Cl)c2O)CC1=O ZINC000191664335 373507407 /nfs/dbraw/zinc/50/74/07/373507407.db2.gz NYJUNCLYJCPJEY-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO CN1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1=O ZINC000191664335 373507412 /nfs/dbraw/zinc/50/74/12/373507412.db2.gz NYJUNCLYJCPJEY-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1O ZINC000372638169 391859377 /nfs/dbraw/zinc/85/93/77/391859377.db2.gz IEXQYHODIQXGFG-QWRGUYRKSA-N 1 2 289.734 1.959 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1O ZINC000372638169 391859380 /nfs/dbraw/zinc/85/93/80/391859380.db2.gz IEXQYHODIQXGFG-QWRGUYRKSA-N 1 2 289.734 1.959 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H](CO)c2ccccc21 ZINC000493796436 393221068 /nfs/dbraw/zinc/22/10/68/393221068.db2.gz VKMAMEZREVRLGW-GZTOBOFZSA-N 1 2 269.304 1.546 20 10 CDCDLO CCNC(=O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084963935 521737570 /nfs/dbraw/zinc/73/75/70/521737570.db2.gz XINSPKIHFYHBOB-UHFFFAOYSA-N 1 2 295.358 1.092 20 10 CDCDLO Cc1nnsc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000291669334 526447324 /nfs/dbraw/zinc/44/73/24/526447324.db2.gz GEVNOZKRZFSESY-UHFFFAOYSA-N 1 2 280.309 1.750 20 10 CDCDLO c1cc(C[NH2+]Cc2nnnn2CC2CC2)cc2c1OCC2 ZINC000769936875 575398882 /nfs/dbraw/zinc/39/88/82/575398882.db2.gz ZZUFAEHFFHHGMW-UHFFFAOYSA-N 1 2 285.351 1.308 20 10 CDCDLO O=C(CCCn1cc[nH+]c1)NCc1ccccc1O ZINC000735857174 575521852 /nfs/dbraw/zinc/52/18/52/575521852.db2.gz OILWDNSWOBXUAK-UHFFFAOYSA-N 1 2 259.309 1.685 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000756770821 577003530 /nfs/dbraw/zinc/00/35/30/577003530.db2.gz XMJLQOFYOWYACO-DTWKUNHWSA-N 1 2 252.270 1.740 20 10 CDCDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1cc(F)cc(F)c1O ZINC000756779805 577004018 /nfs/dbraw/zinc/00/40/18/577004018.db2.gz MIDISVMWRCDCIC-ZETCQYMHSA-N 1 2 268.267 1.650 20 10 CDCDLO CC[N@H+](CC1(CO)COC1)c1ccc(OC)cc1 ZINC000756809745 577005831 /nfs/dbraw/zinc/00/58/31/577005831.db2.gz XEKVDLZLHCLCPE-UHFFFAOYSA-N 1 2 251.326 1.530 20 10 CDCDLO CC[N@@H+](CC1(CO)COC1)c1ccc(OC)cc1 ZINC000756809745 577005833 /nfs/dbraw/zinc/00/58/33/577005833.db2.gz XEKVDLZLHCLCPE-UHFFFAOYSA-N 1 2 251.326 1.530 20 10 CDCDLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)c(O)c1O ZINC000752953767 577136887 /nfs/dbraw/zinc/13/68/87/577136887.db2.gz PJFOUKPEOCXZPD-UHFFFAOYSA-N 1 2 261.281 1.070 20 10 CDCDLO C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)[C@H](C(N)=O)C1 ZINC000894500432 618927074 /nfs/dbraw/zinc/92/70/74/618927074.db2.gz NZTXTKRVQXLQKR-UFBFGSQYSA-N 1 2 284.306 1.756 20 10 CDCDLO C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)[C@H](C(N)=O)C1 ZINC000894500432 618927076 /nfs/dbraw/zinc/92/70/76/618927076.db2.gz NZTXTKRVQXLQKR-UFBFGSQYSA-N 1 2 284.306 1.756 20 10 CDCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@H](OC)C1 ZINC000895968602 619926678 /nfs/dbraw/zinc/92/66/78/619926678.db2.gz DWHGSKZYQMJDCN-ZDUSSCGKSA-N 1 2 253.298 1.206 20 10 CDCDLO COc1cccc(O)c1C[N@H+]1CCO[C@H](OC)C1 ZINC000895968602 619926679 /nfs/dbraw/zinc/92/66/79/619926679.db2.gz DWHGSKZYQMJDCN-ZDUSSCGKSA-N 1 2 253.298 1.206 20 10 CDCDLO CC[N@H+](CCC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000896712054 620209805 /nfs/dbraw/zinc/20/98/05/620209805.db2.gz NDZAJMNZQNHQOM-UHFFFAOYSA-N 1 2 274.723 1.882 20 10 CDCDLO CC[N@@H+](CCC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000896712054 620209806 /nfs/dbraw/zinc/20/98/06/620209806.db2.gz NDZAJMNZQNHQOM-UHFFFAOYSA-N 1 2 274.723 1.882 20 10 CDCDLO CC[C@@H](O)C[NH2+][C@H](CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590465911 1173419819 /nfs/dbraw/zinc/41/98/19/1173419819.db2.gz HTUBPHMDKKDHON-BXKDBHETSA-N 1 2 291.355 1.384 20 10 CDCDLO CCOCCC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590810726 1173519716 /nfs/dbraw/zinc/51/97/16/1173519716.db2.gz SZQJJVVNHZULFM-SNVBAGLBSA-N 1 2 291.355 1.650 20 10 CDCDLO COc1c(O)c(C[NH2+]Cc2ccno2)ccc1[N+](=O)[O-] ZINC000843402185 730707893 /nfs/dbraw/zinc/70/78/93/730707893.db2.gz BTRTUEKPIBBDLS-UHFFFAOYSA-N 1 2 279.252 1.587 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH2+]CCc1nnc[nH]1 ZINC000708535209 731140608 /nfs/dbraw/zinc/14/06/08/731140608.db2.gz JNWIKQCCHNZWJD-UHFFFAOYSA-N 1 2 254.240 1.121 20 10 CDCDLO Cc1ccc([C@H](C)[NH2+]Cc2nnn(C)n2)c(O)c1C ZINC000787044893 731218524 /nfs/dbraw/zinc/21/85/24/731218524.db2.gz WUEHZTNADLAEFE-JTQLQIEISA-N 1 2 261.329 1.383 20 10 CDCDLO COCCOC1C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000779431748 731224832 /nfs/dbraw/zinc/22/48/32/731224832.db2.gz DGXWZXLULTWDEN-UHFFFAOYSA-N 1 2 297.351 1.257 20 10 CDCDLO C[N@@H+]1CCN(C(=O)C2=CC(=O)CS2)C(C)(C)C1 ZINC000831508619 731317728 /nfs/dbraw/zinc/31/77/28/731317728.db2.gz RTUZXTFVANFSOT-UHFFFAOYSA-N 1 2 254.355 1.620 20 10 CDCDLO C[N@H+]1CCN(C(=O)C2=CC(=O)CS2)C(C)(C)C1 ZINC000831508619 731317733 /nfs/dbraw/zinc/31/77/33/731317733.db2.gz RTUZXTFVANFSOT-UHFFFAOYSA-N 1 2 254.355 1.620 20 10 CDCDLO OCC1(O)CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000827141963 731336509 /nfs/dbraw/zinc/33/65/09/731336509.db2.gz ZOCZMGVNAFXOPX-UHFFFAOYSA-N 1 2 289.734 1.504 20 10 CDCDLO CN1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708549453 731441655 /nfs/dbraw/zinc/44/16/55/731441655.db2.gz QTLMKGHXMUKXDA-LLVKDONJSA-N 1 2 256.296 1.854 20 10 CDCDLO COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCC[NH2+]C2)c1 ZINC000817942366 731537787 /nfs/dbraw/zinc/53/77/87/731537787.db2.gz YCIYDHLWNWGYKK-CMPLNLGQSA-N 1 2 278.352 1.581 20 10 CDCDLO CN(C)C(=O)C[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775647511 731599169 /nfs/dbraw/zinc/59/91/69/731599169.db2.gz WQPNLFXSWCAIMQ-UHFFFAOYSA-N 1 2 274.723 1.705 20 10 CDCDLO CN(C)C(=O)C[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775647511 731599173 /nfs/dbraw/zinc/59/91/73/731599173.db2.gz WQPNLFXSWCAIMQ-UHFFFAOYSA-N 1 2 274.723 1.705 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840914238 731822444 /nfs/dbraw/zinc/82/24/44/731822444.db2.gz RPLJHFPJJKOWBQ-OAHLLOKOSA-N 1 2 292.379 1.435 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840914238 731822446 /nfs/dbraw/zinc/82/24/46/731822446.db2.gz RPLJHFPJJKOWBQ-OAHLLOKOSA-N 1 2 292.379 1.435 20 10 CDCDLO COc1cc(C[N@@H+]2CCN(C(C)C)C(=O)C2)c(O)cc1C ZINC000779881824 732880829 /nfs/dbraw/zinc/88/08/29/732880829.db2.gz GFECYTZVHRWNDA-UHFFFAOYSA-N 1 2 292.379 1.762 20 10 CDCDLO COc1cc(C[N@H+]2CCN(C(C)C)C(=O)C2)c(O)cc1C ZINC000779881824 732880830 /nfs/dbraw/zinc/88/08/30/732880830.db2.gz GFECYTZVHRWNDA-UHFFFAOYSA-N 1 2 292.379 1.762 20 10 CDCDLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccccc1O ZINC000827940698 733149078 /nfs/dbraw/zinc/14/90/78/733149078.db2.gz IBRCBLHVMHBWDO-SNVBAGLBSA-N 1 2 259.309 1.546 20 10 CDCDLO C[C@@]1(O)CC[N@H+](Cc2c(O)cccc2F)C[C@@H]1F ZINC001137832659 936417509 /nfs/dbraw/zinc/41/75/09/936417509.db2.gz CNPWZMAXMHYUSI-QWHCGFSZSA-N 1 2 257.280 1.826 20 10 CDCDLO C[C@@]1(O)CC[N@@H+](Cc2c(O)cccc2F)C[C@@H]1F ZINC001137832659 936417512 /nfs/dbraw/zinc/41/75/12/936417512.db2.gz CNPWZMAXMHYUSI-QWHCGFSZSA-N 1 2 257.280 1.826 20 10 CDCDLO CCC(=O)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137831752 936416489 /nfs/dbraw/zinc/41/64/89/936416489.db2.gz MEEGFFMWFWCPIA-UHFFFAOYSA-N 1 2 266.316 1.586 20 10 CDCDLO Oc1cccc(F)c1C[NH+]1CCN(c2ncccn2)CC1 ZINC001137831793 936416746 /nfs/dbraw/zinc/41/67/46/936416746.db2.gz NVZUMLSCOMWGSB-UHFFFAOYSA-N 1 2 288.326 1.644 20 10 CDCDLO CC(=O)N1CCC2(C[NH+](Cc3c(O)cccc3F)C2)C1 ZINC001137836050 936419046 /nfs/dbraw/zinc/41/90/46/936419046.db2.gz UCLBAXODULRKPO-UHFFFAOYSA-N 1 2 278.327 1.586 20 10 CDCDLO CN1CC2(C1)C[NH+](Cc1c(O)cccc1Cl)C2 ZINC001140342763 936703862 /nfs/dbraw/zinc/70/38/62/936703862.db2.gz XPMOOJLNLJUOJL-UHFFFAOYSA-N 1 2 252.745 1.793 20 10 CDCDLO COC(=O)C1C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001140462627 936712465 /nfs/dbraw/zinc/71/24/65/936712465.db2.gz JNVQRJHMARMXMR-UHFFFAOYSA-N 1 2 255.701 1.650 20 10 CDCDLO CC(C)(C)N1CC[N@H+](Cc2cc(O)ccc2O)CC1=O ZINC001141160222 936822238 /nfs/dbraw/zinc/82/22/38/936822238.db2.gz UIWKPJXVSVFKES-UHFFFAOYSA-N 1 2 278.352 1.541 20 10 CDCDLO CC(C)(C)N1CC[N@@H+](Cc2cc(O)ccc2O)CC1=O ZINC001141160222 936822241 /nfs/dbraw/zinc/82/22/41/936822241.db2.gz UIWKPJXVSVFKES-UHFFFAOYSA-N 1 2 278.352 1.541 20 10 CDCDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140446 936818572 /nfs/dbraw/zinc/81/85/72/936818572.db2.gz MFYFELKTSCYCRU-CQSZACIVSA-N 1 2 290.363 1.653 20 10 CDCDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140446 936818575 /nfs/dbraw/zinc/81/85/75/936818575.db2.gz MFYFELKTSCYCRU-CQSZACIVSA-N 1 2 290.363 1.653 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000862754748 929465841 /nfs/dbraw/zinc/46/58/41/929465841.db2.gz IYLYPLCCVQSKLY-GFCCVEGCSA-N 1 2 285.347 1.776 20 10 CDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2ncc[nH]2)cc1 ZINC000844401750 931595249 /nfs/dbraw/zinc/59/52/49/931595249.db2.gz PUTLUTJFCOPKQC-UHFFFAOYSA-N 1 2 274.368 1.987 20 10 CDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2ncc[nH]2)cc1 ZINC000844401750 931595253 /nfs/dbraw/zinc/59/52/53/931595253.db2.gz PUTLUTJFCOPKQC-UHFFFAOYSA-N 1 2 274.368 1.987 20 10 CDCDLO CN(C)c1cc(NCc2ccc(O)c(O)c2)[nH+]cn1 ZINC001158994369 938686061 /nfs/dbraw/zinc/68/60/61/938686061.db2.gz KTAKVMOZWIPEKV-UHFFFAOYSA-N 1 2 260.297 1.566 20 10 CDCDLO CN(C)c1cc(NCc2ccc(O)c(O)c2)nc[nH+]1 ZINC001158994369 938686062 /nfs/dbraw/zinc/68/60/62/938686062.db2.gz KTAKVMOZWIPEKV-UHFFFAOYSA-N 1 2 260.297 1.566 20 10 CDCDLO [NH3+]C[C@@]1(O)CCCCN(Cc2cc(F)c(F)cc2O)C1 ZINC001205681124 939916320 /nfs/dbraw/zinc/91/63/20/939916320.db2.gz FOJOKBPIUUZNTL-AWEZNQCLSA-N 1 2 286.322 1.346 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CCN(CCF)CC1 ZINC000402761309 940909507 /nfs/dbraw/zinc/90/95/07/940909507.db2.gz HQXBSSIPERDBSY-UHFFFAOYSA-N 1 2 256.296 1.618 20 10 CDCDLO Cc1cc(O)c(C[NH+]2CCN(CCCO)CC2)cc1Cl ZINC001231868206 943036786 /nfs/dbraw/zinc/03/67/86/943036786.db2.gz RFEAPYZLPLRLDE-UHFFFAOYSA-N 1 2 298.814 1.854 20 10 CDCDLO Cc1cc(O)c(C[NH+]2CCN(C(N)=O)CC2)cc1Cl ZINC001231868764 943037048 /nfs/dbraw/zinc/03/70/48/943037048.db2.gz GGNRDVOXMIHFCC-UHFFFAOYSA-N 1 2 283.759 1.550 20 10 CDCDLO O=C1NC[C@@]2(CCC[N@H+](Cc3c(O)ccc(F)c3F)C2)O1 ZINC001233335352 943548449 /nfs/dbraw/zinc/54/84/49/943548449.db2.gz RKJHSFMOLQCWHK-CQSZACIVSA-N 1 2 298.289 1.745 20 10 CDCDLO Oc1cc(O)c(C[NH+]2CCN(CC(F)F)CC2)cc1O ZINC001233486577 943595885 /nfs/dbraw/zinc/59/58/85/943595885.db2.gz SPYJZJYIUNTZGO-UHFFFAOYSA-N 1 2 288.294 1.186 20 10 CDCDLO [NH3+][C@@]12CC[C@@H]1CN(Cc1c(F)ccc(F)c1O)C2 ZINC001235992099 944358126 /nfs/dbraw/zinc/35/81/26/944358126.db2.gz LZQLWZYTPQWQJK-AMIZOPFISA-N 1 2 254.280 1.594 20 10 CDCDLO Nc1[nH+]cccc1-c1ccn(Cc2cccnc2)c(=O)c1 ZINC001243477996 947128367 /nfs/dbraw/zinc/12/83/67/947128367.db2.gz WDGJAFOLKLADKN-UHFFFAOYSA-N 1 2 278.315 1.936 20 10 CDCDLO COCC1(O)C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001325501439 953934028 /nfs/dbraw/zinc/93/40/28/953934028.db2.gz HDKYLNNFRFWNAF-UHFFFAOYSA-N 1 2 276.380 1.480 20 10 CDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N)cc1 ZINC001336360719 960320788 /nfs/dbraw/zinc/32/07/88/960320788.db2.gz JUIMQQLPFORQQN-NSHDSACASA-N 1 2 273.340 1.353 20 10 CDCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccc(O)c1O ZINC001521851311 970366400 /nfs/dbraw/zinc/36/64/00/970366400.db2.gz KIWIKMLHZIOTBC-VIFPVBQESA-N 1 2 275.308 1.316 20 10 CDCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(O)c1O ZINC001521851311 970366410 /nfs/dbraw/zinc/36/64/10/970366410.db2.gz KIWIKMLHZIOTBC-VIFPVBQESA-N 1 2 275.308 1.316 20 10 CDCDLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000187668715 357792397 /nfs/dbraw/zinc/79/23/97/357792397.db2.gz VLZBJIQRBMABSZ-UWVGGRQHSA-N 1 2 292.162 1.627 20 10 CDCDLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000187668715 357792404 /nfs/dbraw/zinc/79/24/04/357792404.db2.gz VLZBJIQRBMABSZ-UWVGGRQHSA-N 1 2 292.162 1.627 20 10 CDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000187572438 357781840 /nfs/dbraw/zinc/78/18/40/357781840.db2.gz WMOCASSNGZDPBX-VXGBXAGGSA-N 1 2 299.754 1.462 20 10 CDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000187572438 357781844 /nfs/dbraw/zinc/78/18/44/357781844.db2.gz WMOCASSNGZDPBX-VXGBXAGGSA-N 1 2 299.754 1.462 20 10 CDCDLO CCCOc1ccc(C[NH+]2CC(NC(=O)NC)C2)c(O)c1 ZINC000297538615 372000894 /nfs/dbraw/zinc/00/08/94/372000894.db2.gz ZYVICMIBSOFFHN-UHFFFAOYSA-N 1 2 293.367 1.294 20 10 CDCDLO COC(=O)C(C)(C)[NH2+]Cc1cc(OC)ccc1O ZINC000037085101 390412847 /nfs/dbraw/zinc/41/28/47/390412847.db2.gz HYCKCFGOPWLWKR-UHFFFAOYSA-N 1 2 253.298 1.442 20 10 CDCDLO COC(=O)[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000272442987 263004669 /nfs/dbraw/zinc/00/46/69/263004669.db2.gz UCRSRODYSKSZKD-QMMMGPOBSA-N 1 2 269.297 1.061 20 10 CDCDLO Cn1cnnc1C[N@H+](C)Cc1cccc(Cl)c1O ZINC000290059739 277001068 /nfs/dbraw/zinc/00/10/68/277001068.db2.gz FDOWXWFICYDNNR-UHFFFAOYSA-N 1 2 266.732 1.806 20 10 CDCDLO Cn1cnnc1C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000290059739 277001069 /nfs/dbraw/zinc/00/10/69/277001069.db2.gz FDOWXWFICYDNNR-UHFFFAOYSA-N 1 2 266.732 1.806 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOCc2ccccc21 ZINC000492815825 332414781 /nfs/dbraw/zinc/41/47/81/332414781.db2.gz YJVWCVFPQNAUQW-AATRIKPKSA-N 1 2 269.304 1.986 20 10 CDCDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000278284093 523453860 /nfs/dbraw/zinc/45/38/60/523453860.db2.gz UAKXBSRUOGQHBV-LLVKDONJSA-N 1 2 296.323 1.920 20 10 CDCDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000278284093 523453868 /nfs/dbraw/zinc/45/38/68/523453868.db2.gz UAKXBSRUOGQHBV-LLVKDONJSA-N 1 2 296.323 1.920 20 10 CDCDLO Nc1ccc(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000366344218 527474069 /nfs/dbraw/zinc/47/40/69/527474069.db2.gz FFBWJODMZIVRIE-UHFFFAOYSA-N 1 2 284.363 1.941 20 10 CDCDLO Nc1ccc(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000366344218 527474073 /nfs/dbraw/zinc/47/40/73/527474073.db2.gz FFBWJODMZIVRIE-UHFFFAOYSA-N 1 2 284.363 1.941 20 10 CDCDLO C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)[C@H](C(N)=O)C1 ZINC000894500429 618926870 /nfs/dbraw/zinc/92/68/70/618926870.db2.gz NZTXTKRVQXLQKR-PELKAZGASA-N 1 2 284.306 1.756 20 10 CDCDLO C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)[C@H](C(N)=O)C1 ZINC000894500429 618926873 /nfs/dbraw/zinc/92/68/73/618926873.db2.gz NZTXTKRVQXLQKR-PELKAZGASA-N 1 2 284.306 1.756 20 10 CDCDLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000895327971 619566555 /nfs/dbraw/zinc/56/65/55/619566555.db2.gz FONAWCWXPPWRDN-ZWNOBZJWSA-N 1 2 271.744 1.363 20 10 CDCDLO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000895327971 619566557 /nfs/dbraw/zinc/56/65/57/619566557.db2.gz FONAWCWXPPWRDN-ZWNOBZJWSA-N 1 2 271.744 1.363 20 10 CDCDLO COc1ccc(CNC(=O)NCCn2cc[nH+]c2)c(O)c1 ZINC000792796182 1162364808 /nfs/dbraw/zinc/36/48/08/1162364808.db2.gz ZALFIAHEIQDHCO-UHFFFAOYSA-N 1 2 290.323 1.097 20 10 CDCDLO COc1ccc(CN2CCC(F)(F)[C@H]([NH3+])C2)c(O)c1 ZINC001206655298 1167172590 /nfs/dbraw/zinc/17/25/90/1167172590.db2.gz GQTAONSTFSSYDF-GFCCVEGCSA-N 1 2 272.295 1.569 20 10 CDCDLO C[C@@H]([NH2+]Cc1cn(C)nn1)c1c(O)cccc1F ZINC000886588708 735189907 /nfs/dbraw/zinc/18/99/07/735189907.db2.gz XTAWJZBPTZLNFS-MRVPVSSYSA-N 1 2 250.277 1.511 20 10 CDCDLO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000830554865 736076722 /nfs/dbraw/zinc/07/67/22/736076722.db2.gz MXWQWMIUXZUIEV-LLVKDONJSA-N 1 2 287.319 1.173 20 10 CDCDLO CC[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000703562387 733617807 /nfs/dbraw/zinc/61/78/07/733617807.db2.gz IOZDFUUTLXSIGP-UHFFFAOYSA-N 1 2 256.296 1.808 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1F ZINC000802661974 733672784 /nfs/dbraw/zinc/67/27/84/733672784.db2.gz ZBIRLYKUPUKLIL-AWEZNQCLSA-N 1 2 270.323 1.798 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1F ZINC000802661974 733672799 /nfs/dbraw/zinc/67/27/99/733672799.db2.gz ZBIRLYKUPUKLIL-AWEZNQCLSA-N 1 2 270.323 1.798 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCCn1cncn1 ZINC000776175422 733687271 /nfs/dbraw/zinc/68/72/71/733687271.db2.gz ZNDYPLFUDQPBHX-UHFFFAOYSA-N 1 2 284.722 1.956 20 10 CDCDLO C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817940105 733743985 /nfs/dbraw/zinc/74/39/85/733743985.db2.gz FAVFDHZNFGVJTQ-UWVGGRQHSA-N 1 2 265.313 1.703 20 10 CDCDLO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1O ZINC000846166211 733779120 /nfs/dbraw/zinc/77/91/20/733779120.db2.gz UIVJFVLBOBLSPN-ZJUUUORDSA-N 1 2 276.340 1.941 20 10 CDCDLO CNC(=O)C1C[NH+](Cc2cccc(Br)c2O)C1 ZINC000839141907 733804855 /nfs/dbraw/zinc/80/48/55/733804855.db2.gz ATJHBYVVXBJVDR-UHFFFAOYSA-N 1 2 299.168 1.333 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)c(O)c1 ZINC000799737846 733862060 /nfs/dbraw/zinc/86/20/60/733862060.db2.gz NQJKYUXESLKMAK-MRXNPFEDSA-N 1 2 293.363 1.782 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCOC[C@]23CCOC3)c(O)c1 ZINC000799737846 733862064 /nfs/dbraw/zinc/86/20/64/733862064.db2.gz NQJKYUXESLKMAK-MRXNPFEDSA-N 1 2 293.363 1.782 20 10 CDCDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000311998779 734015247 /nfs/dbraw/zinc/01/52/47/734015247.db2.gz UDXAISDZWFOALY-NSHDSACASA-N 1 2 287.356 1.540 20 10 CDCDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000311998779 734015254 /nfs/dbraw/zinc/01/52/54/734015254.db2.gz UDXAISDZWFOALY-NSHDSACASA-N 1 2 287.356 1.540 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1Cl ZINC000825651424 734353214 /nfs/dbraw/zinc/35/32/14/734353214.db2.gz IEZYJFVMLKVCPS-ZYHUDNBSSA-N 1 2 285.771 1.936 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1Cl ZINC000825651424 734353217 /nfs/dbraw/zinc/35/32/17/734353217.db2.gz IEZYJFVMLKVCPS-ZYHUDNBSSA-N 1 2 285.771 1.936 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)NCCCn1cc[nH+]c1 ZINC000042897731 734813733 /nfs/dbraw/zinc/81/37/33/734813733.db2.gz BEABLKGLWGBFNP-UHFFFAOYSA-N 1 2 288.351 1.820 20 10 CDCDLO CN(C)C(=O)CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708554639 734943401 /nfs/dbraw/zinc/94/34/01/734943401.db2.gz JSFVVVHEVYAOQG-UHFFFAOYSA-N 1 2 272.295 1.628 20 10 CDCDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142527118 908866362 /nfs/dbraw/zinc/86/63/62/908866362.db2.gz LESGFIWCEFWUOH-LBPRGKRZSA-N 1 2 284.306 1.723 20 10 CDCDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142527118 908866378 /nfs/dbraw/zinc/86/63/78/908866378.db2.gz LESGFIWCEFWUOH-LBPRGKRZSA-N 1 2 284.306 1.723 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](CO)C1 ZINC001139126980 936599776 /nfs/dbraw/zinc/59/97/76/936599776.db2.gz DVGVXQNEUKTZRK-NSHDSACASA-N 1 2 289.331 1.621 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](CO)C1 ZINC001139126980 936599778 /nfs/dbraw/zinc/59/97/78/936599778.db2.gz DVGVXQNEUKTZRK-NSHDSACASA-N 1 2 289.331 1.621 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(Cl)cc1O ZINC001140461830 936712550 /nfs/dbraw/zinc/71/25/50/936712550.db2.gz URKPNXJIUKKDMA-QWRGUYRKSA-N 1 2 259.708 1.950 20 10 CDCDLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585573 936728168 /nfs/dbraw/zinc/72/81/68/936728168.db2.gz ONOYNCGCZVGGDY-LLVKDONJSA-N 1 2 284.306 1.723 20 10 CDCDLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585573 936728170 /nfs/dbraw/zinc/72/81/70/936728170.db2.gz ONOYNCGCZVGGDY-LLVKDONJSA-N 1 2 284.306 1.723 20 10 CDCDLO C[C@H](CC(N)=O)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816557206 930318349 /nfs/dbraw/zinc/31/83/49/930318349.db2.gz HQUJOZSWQLTRQF-ZCFIWIBFSA-N 1 2 260.696 1.538 20 10 CDCDLO CN(C1COC1)C1C[NH+](Cc2cccc(F)c2O)C1 ZINC001138128491 932458535 /nfs/dbraw/zinc/45/85/35/932458535.db2.gz NPOVVKDOPNYHEZ-UHFFFAOYSA-N 1 2 266.316 1.046 20 10 CDCDLO COc1ccc(C[NH+]2CC(N(C)[C@H]3CCOC3)C2)c(O)c1 ZINC001203627578 939697987 /nfs/dbraw/zinc/69/79/87/939697987.db2.gz JSRSSGFSUBTLME-ZDUSSCGKSA-N 1 2 292.379 1.306 20 10 CDCDLO CCn1cc(C[NH2+]Cc2c(O)cccc2Cl)nn1 ZINC000404424886 940962992 /nfs/dbraw/zinc/96/29/92/940962992.db2.gz XZYPONOYBACOHB-UHFFFAOYSA-N 1 2 266.732 1.947 20 10 CDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(OC)c(O)cc1O ZINC001231636114 942951481 /nfs/dbraw/zinc/95/14/81/942951481.db2.gz RGFJOZQCEMEAPR-QMMMGPOBSA-N 1 2 269.297 1.100 20 10 CDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(OC)c(O)cc1O ZINC001231636114 942951484 /nfs/dbraw/zinc/95/14/84/942951484.db2.gz RGFJOZQCEMEAPR-QMMMGPOBSA-N 1 2 269.297 1.100 20 10 CDCDLO Cc1cc(O)c(C[NH+]2CC3(C2)CS(=O)C3)cc1Cl ZINC001231866956 943035649 /nfs/dbraw/zinc/03/56/49/943035649.db2.gz FZUMDGKPJVZWHL-UHFFFAOYSA-N 1 2 285.796 1.918 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335704 943549116 /nfs/dbraw/zinc/54/91/16/943549116.db2.gz HUHCDJMGMOVLBP-SECBINFHSA-N 1 2 270.279 1.381 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335704 943549120 /nfs/dbraw/zinc/54/91/20/943549120.db2.gz HUHCDJMGMOVLBP-SECBINFHSA-N 1 2 270.279 1.381 20 10 CDCDLO Cc1nnc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)o1 ZINC001253471265 951923763 /nfs/dbraw/zinc/92/37/63/951923763.db2.gz XJTFEDCFSOMPTE-UHFFFAOYSA-N 1 2 275.308 1.583 20 10 CDCDLO C[C@H]([NH2+]C1CC[NH+](CC(=O)[O-])CC1)c1ccc(F)cc1O ZINC001589124184 956155172 /nfs/dbraw/zinc/15/51/72/956155172.db2.gz RIWPFOYBWSESJZ-JTQLQIEISA-N 1 2 296.342 1.731 20 10 CDCDLO COc1ccc(CN2CCn3c[nH+]cc3C2)c(O)c1OC ZINC001336813386 960619499 /nfs/dbraw/zinc/61/94/99/960619499.db2.gz QLDIFMCWNOTJRL-UHFFFAOYSA-N 1 2 289.335 1.622 20 10 CDCDLO Cc1cc(Cl)cc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1O ZINC000295134396 199364204 /nfs/dbraw/zinc/36/42/04/199364204.db2.gz YXVASPGQSYISEV-SECBINFHSA-N 1 2 268.744 1.674 20 10 CDCDLO Cc1cc(Cl)cc(C[N@H+]2CC(=O)N[C@H](C)C2)c1O ZINC000295134396 199364206 /nfs/dbraw/zinc/36/42/06/199364206.db2.gz YXVASPGQSYISEV-SECBINFHSA-N 1 2 268.744 1.674 20 10 CDCDLO COCC[NH+]1CCN(Cc2cccc(C)c2O)CC1 ZINC000179641214 357218460 /nfs/dbraw/zinc/21/84/60/357218460.db2.gz JZGTUFAZICAZFL-UHFFFAOYSA-N 1 2 264.369 1.465 20 10 CDCDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000180157948 357247457 /nfs/dbraw/zinc/24/74/57/357247457.db2.gz QTTUROQKOSBFIS-SNVBAGLBSA-N 1 2 289.372 1.786 20 10 CDCDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180157948 357247459 /nfs/dbraw/zinc/24/74/59/357247459.db2.gz QTTUROQKOSBFIS-SNVBAGLBSA-N 1 2 289.372 1.786 20 10 CDCDLO COC(=O)c1cnc(SCCn2cc[nH+]c2)s1 ZINC000295387339 371249300 /nfs/dbraw/zinc/24/93/00/371249300.db2.gz UQHHUEWUXJSLIB-UHFFFAOYSA-N 1 2 269.351 1.919 20 10 CDCDLO C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273407042 391324646 /nfs/dbraw/zinc/32/46/46/391324646.db2.gz OQSMHVNPVQJWRD-JTQLQIEISA-N 1 2 276.296 1.848 20 10 CDCDLO CNC(=O)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276919544 263038543 /nfs/dbraw/zinc/03/85/43/263038543.db2.gz MHWZOARKYQGBFB-MRVPVSSYSA-N 1 2 272.295 1.847 20 10 CDCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000378502600 329053193 /nfs/dbraw/zinc/05/31/93/329053193.db2.gz VZBNPPZJURLZEW-QWHCGFSZSA-N 1 2 297.326 1.684 20 10 CDCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(F)ccc1O ZINC000378502600 329053195 /nfs/dbraw/zinc/05/31/95/329053195.db2.gz VZBNPPZJURLZEW-QWHCGFSZSA-N 1 2 297.326 1.684 20 10 CDCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000378502598 329053290 /nfs/dbraw/zinc/05/32/90/329053290.db2.gz VZBNPPZJURLZEW-CHWSQXEVSA-N 1 2 297.326 1.684 20 10 CDCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1cc(F)ccc1O ZINC000378502598 329053292 /nfs/dbraw/zinc/05/32/92/329053292.db2.gz VZBNPPZJURLZEW-CHWSQXEVSA-N 1 2 297.326 1.684 20 10 CDCDLO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ncn(C)n2)c1O ZINC000275664324 518288381 /nfs/dbraw/zinc/28/83/81/518288381.db2.gz YKIGDRGPSYOEJG-QMMMGPOBSA-N 1 2 292.314 1.713 20 10 CDCDLO O=C(NCc1ccccc1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000749223798 576939269 /nfs/dbraw/zinc/93/92/69/576939269.db2.gz PMUKQNDXKLOEGW-LLVKDONJSA-N 1 2 271.320 1.468 20 10 CDCDLO COC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756343246 576986331 /nfs/dbraw/zinc/98/63/31/576986331.db2.gz WGGCISKTFZGCNE-RKDXNWHRSA-N 1 2 254.286 1.986 20 10 CDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nccn2C)c1 ZINC000756539699 576994340 /nfs/dbraw/zinc/99/43/40/576994340.db2.gz RNUFJDWMCOXVIE-JTQLQIEISA-N 1 2 289.335 1.763 20 10 CDCDLO COc1cccc(O)c1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000758505019 577112303 /nfs/dbraw/zinc/11/23/03/577112303.db2.gz KEJHZZPZVISVOA-LLVKDONJSA-N 1 2 273.336 1.771 20 10 CDCDLO C[N@H+](CC(=O)NC1CC1)Cc1cc(F)cc(F)c1O ZINC000893912542 618170401 /nfs/dbraw/zinc/17/04/01/618170401.db2.gz YHFWMDRWSJLWNW-UHFFFAOYSA-N 1 2 270.279 1.381 20 10 CDCDLO C[N@@H+](CC(=O)NC1CC1)Cc1cc(F)cc(F)c1O ZINC000893912542 618170410 /nfs/dbraw/zinc/17/04/10/618170410.db2.gz YHFWMDRWSJLWNW-UHFFFAOYSA-N 1 2 270.279 1.381 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000893995534 618236147 /nfs/dbraw/zinc/23/61/47/618236147.db2.gz NATWRNRPETZLJI-UHFFFAOYSA-N 1 2 271.263 1.619 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCC2(C1)OCCO2 ZINC000893995534 618236148 /nfs/dbraw/zinc/23/61/48/618236148.db2.gz NATWRNRPETZLJI-UHFFFAOYSA-N 1 2 271.263 1.619 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1O ZINC000893984948 618237528 /nfs/dbraw/zinc/23/75/28/618237528.db2.gz VPPUTIFDGVZHDB-JTQLQIEISA-N 1 2 264.325 1.030 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CCNC(=O)[C@@H]2C)c1O ZINC000893984948 618237530 /nfs/dbraw/zinc/23/75/30/618237530.db2.gz VPPUTIFDGVZHDB-JTQLQIEISA-N 1 2 264.325 1.030 20 10 CDCDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1cc(F)ccc1O ZINC000895119101 619312605 /nfs/dbraw/zinc/31/26/05/619312605.db2.gz VGVMPHMYJRUPAQ-LPEHRKFASA-N 1 2 266.316 1.629 20 10 CDCDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1cc(F)ccc1O ZINC000895119101 619312607 /nfs/dbraw/zinc/31/26/07/619312607.db2.gz VGVMPHMYJRUPAQ-LPEHRKFASA-N 1 2 266.316 1.629 20 10 CDCDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc(N(C)C)cc1 ZINC000907491113 627688444 /nfs/dbraw/zinc/68/84/44/627688444.db2.gz ADXWDSWDEXPWSI-NSHDSACASA-N 1 2 272.352 1.896 20 10 CDCDLO C[C@@H]([NH2+]CCCCCO)c1cccc(-c2nn[nH]n2)c1O ZINC001589963418 1173213535 /nfs/dbraw/zinc/21/35/35/1173213535.db2.gz WWEKHHBBZGOBIV-SNVBAGLBSA-N 1 2 291.355 1.386 20 10 CDCDLO CNC(=O)C1C[NH+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862390450 736963826 /nfs/dbraw/zinc/96/38/26/736963826.db2.gz XGUBWOFQBVSGRW-UHFFFAOYSA-N 1 2 283.322 1.209 20 10 CDCDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1c(F)ccc(O)c1O ZINC000857962117 737878203 /nfs/dbraw/zinc/87/82/03/737878203.db2.gz IUFAHWPFJRXJIP-QMMMGPOBSA-N 1 2 291.282 1.178 20 10 CDCDLO CC(=O)c1cc(F)cc(CN2CCn3c[nH+]cc3C2)c1O ZINC000821272832 738601962 /nfs/dbraw/zinc/60/19/62/738601962.db2.gz ZCLQOIDBNBYSSR-UHFFFAOYSA-N 1 2 289.310 1.946 20 10 CDCDLO Nc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000857845218 739183158 /nfs/dbraw/zinc/18/31/58/739183158.db2.gz ZXZOHYIKFLWJFZ-JTQLQIEISA-N 1 2 256.309 1.666 20 10 CDCDLO [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000841035703 736707251 /nfs/dbraw/zinc/70/72/51/736707251.db2.gz KEAWJYDKSDHTEA-JTQLQIEISA-N 1 2 285.185 1.996 20 10 CDCDLO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883183488 737091134 /nfs/dbraw/zinc/09/11/34/737091134.db2.gz CJOQZCIQTBDPSP-LLVKDONJSA-N 1 2 270.279 1.381 20 10 CDCDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H]1CN(C)CCO1 ZINC000883051688 737838097 /nfs/dbraw/zinc/83/80/97/737838097.db2.gz KMIRWPJCKWDMFM-NOZJJQNGSA-N 1 2 286.322 1.479 20 10 CDCDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)NC ZINC000825316711 739108223 /nfs/dbraw/zinc/10/82/23/739108223.db2.gz RMVBIDWZKVTULM-SNVBAGLBSA-N 1 2 274.723 1.799 20 10 CDCDLO Nc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001174493061 913162475 /nfs/dbraw/zinc/16/24/75/913162475.db2.gz ZYMKPZLXOBXPJO-UHFFFAOYSA-N 1 2 287.367 1.541 20 10 CDCDLO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000840957126 906758380 /nfs/dbraw/zinc/75/83/80/906758380.db2.gz FKWSOHPZPIEZPF-NSHDSACASA-N 1 2 282.771 1.956 20 10 CDCDLO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000840957126 906758394 /nfs/dbraw/zinc/75/83/94/906758394.db2.gz FKWSOHPZPIEZPF-NSHDSACASA-N 1 2 282.771 1.956 20 10 CDCDLO Cc1c(C[N@@H+]2CCN(C)C(=O)C2)c2ccccc2n1C ZINC001138252789 936501875 /nfs/dbraw/zinc/50/18/75/936501875.db2.gz UYCPCONURNXDMX-UHFFFAOYSA-N 1 2 271.364 1.761 20 10 CDCDLO Cc1c(C[N@H+]2CCN(C)C(=O)C2)c2ccccc2n1C ZINC001138252789 936501877 /nfs/dbraw/zinc/50/18/77/936501877.db2.gz UYCPCONURNXDMX-UHFFFAOYSA-N 1 2 271.364 1.761 20 10 CDCDLO CCN1C[C@@H](C)[N@H+](Cc2cc(F)ccc2O)CC1=O ZINC001140060140 936675727 /nfs/dbraw/zinc/67/57/27/936675727.db2.gz MLJYZRGTMAINKR-SNVBAGLBSA-N 1 2 266.316 1.584 20 10 CDCDLO CCN1C[C@@H](C)[N@@H+](Cc2cc(F)ccc2O)CC1=O ZINC001140060140 936675728 /nfs/dbraw/zinc/67/57/28/936675728.db2.gz MLJYZRGTMAINKR-SNVBAGLBSA-N 1 2 266.316 1.584 20 10 CDCDLO Cc1ccc(O)c(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)c1 ZINC001140621218 936732031 /nfs/dbraw/zinc/73/20/31/936732031.db2.gz RRTHZUAMQWVVID-QWRGUYRKSA-N 1 2 252.289 1.098 20 10 CDCDLO Cc1ccc(O)c(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)c1 ZINC001140621218 936732032 /nfs/dbraw/zinc/73/20/32/936732032.db2.gz RRTHZUAMQWVVID-QWRGUYRKSA-N 1 2 252.289 1.098 20 10 CDCDLO CCN1CC[N@H+](Cc2ccc(O)c(C)c2O)CC1=O ZINC001140749427 936749705 /nfs/dbraw/zinc/74/97/05/936749705.db2.gz ZCFQNJXACJIGAF-UHFFFAOYSA-N 1 2 264.325 1.070 20 10 CDCDLO CCN1CC[N@@H+](Cc2ccc(O)c(C)c2O)CC1=O ZINC001140749427 936749706 /nfs/dbraw/zinc/74/97/06/936749706.db2.gz ZCFQNJXACJIGAF-UHFFFAOYSA-N 1 2 264.325 1.070 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000708495623 923202114 /nfs/dbraw/zinc/20/21/14/923202114.db2.gz ZVOXXGKFCNIFCU-LLVKDONJSA-N 1 2 268.307 1.997 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000862757223 929464708 /nfs/dbraw/zinc/46/47/08/929464708.db2.gz LTUYCCDORDYDCP-GFCCVEGCSA-N 1 2 285.347 1.776 20 10 CDCDLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001119613483 937739351 /nfs/dbraw/zinc/73/93/51/937739351.db2.gz GKKUAMAHNFWLQD-ZDUSSCGKSA-N 1 2 287.319 1.130 20 10 CDCDLO Cn1nncc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001238167054 945114014 /nfs/dbraw/zinc/11/40/14/945114014.db2.gz ONEPGRWXTIJWMU-UHFFFAOYSA-N 1 2 274.324 1.175 20 10 CDCDLO Cn1nncc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001238167054 945114019 /nfs/dbraw/zinc/11/40/19/945114019.db2.gz ONEPGRWXTIJWMU-UHFFFAOYSA-N 1 2 274.324 1.175 20 10 CDCDLO [NH3+]C[C@]1(O)CCCCN(Cc2cc(F)c(F)cc2O)C1 ZINC001205681126 939917824 /nfs/dbraw/zinc/91/78/24/939917824.db2.gz FOJOKBPIUUZNTL-CQSZACIVSA-N 1 2 286.322 1.346 20 10 CDCDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cccc(F)c1O)C2 ZINC001276537843 940210757 /nfs/dbraw/zinc/21/07/57/940210757.db2.gz NTRSPLFTBLMCMH-PWSUYJOCSA-N 1 2 250.317 1.667 20 10 CDCDLO C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1cccc(F)c1O)C2 ZINC001276537843 940210760 /nfs/dbraw/zinc/21/07/60/940210760.db2.gz NTRSPLFTBLMCMH-PWSUYJOCSA-N 1 2 250.317 1.667 20 10 CDCDLO CN(C)C(=O)CC[N@H+](C)Cc1cccc(Cl)c1O ZINC001231912302 943052852 /nfs/dbraw/zinc/05/28/52/943052852.db2.gz COUXLMXONNOORG-UHFFFAOYSA-N 1 2 270.760 1.956 20 10 CDCDLO CN(C)C(=O)CC[N@@H+](C)Cc1cccc(Cl)c1O ZINC001231912302 943052864 /nfs/dbraw/zinc/05/28/64/943052864.db2.gz COUXLMXONNOORG-UHFFFAOYSA-N 1 2 270.760 1.956 20 10 CDCDLO Oc1c(CN2CC[N@@H+]3CC[C@H]3C2)ccc(F)c1F ZINC001233080485 943487090 /nfs/dbraw/zinc/48/70/90/943487090.db2.gz VKXXCSWYPIEHRR-JTQLQIEISA-N 1 2 254.280 1.560 20 10 CDCDLO Oc1c(CN2CC[N@H+]3CC[C@H]3C2)ccc(F)c1F ZINC001233080485 943487094 /nfs/dbraw/zinc/48/70/94/943487094.db2.gz VKXXCSWYPIEHRR-JTQLQIEISA-N 1 2 254.280 1.560 20 10 CDCDLO CC(=O)N[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233334711 943546264 /nfs/dbraw/zinc/54/62/64/943546264.db2.gz QOPLPWILFZFIDF-JTQLQIEISA-N 1 2 284.306 1.771 20 10 CDCDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233334711 943546267 /nfs/dbraw/zinc/54/62/67/943546267.db2.gz QOPLPWILFZFIDF-JTQLQIEISA-N 1 2 284.306 1.771 20 10 CDCDLO Oc1ccc(F)c(F)c1CN1CC[NH+](C2CC2)CC1 ZINC001233331981 943547141 /nfs/dbraw/zinc/54/71/41/943547141.db2.gz SKBXETJXRKBYAP-UHFFFAOYSA-N 1 2 268.307 1.950 20 10 CDCDLO Nc1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC001337070261 960907358 /nfs/dbraw/zinc/90/73/58/960907358.db2.gz LHEYSKPVGTVGEW-UHFFFAOYSA-N 1 2 271.324 1.191 20 10 CDCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)c1ccc(N)cc1 ZINC001341477329 963431516 /nfs/dbraw/zinc/43/15/16/963431516.db2.gz MALGMIJQRQGBBB-JTQLQIEISA-N 1 2 258.325 1.834 20 10 CDCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)c1ccc(N)cc1 ZINC001341477329 963431517 /nfs/dbraw/zinc/43/15/17/963431517.db2.gz MALGMIJQRQGBBB-JTQLQIEISA-N 1 2 258.325 1.834 20 10 CDCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)c1ccc(N)cc1 ZINC001341477332 963431582 /nfs/dbraw/zinc/43/15/82/963431582.db2.gz MALGMIJQRQGBBB-SNVBAGLBSA-N 1 2 258.325 1.834 20 10 CDCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)c1ccc(N)cc1 ZINC001341477332 963431583 /nfs/dbraw/zinc/43/15/83/963431583.db2.gz MALGMIJQRQGBBB-SNVBAGLBSA-N 1 2 258.325 1.834 20 10 CDCDLO CN(C)c1ccc2c(c1)OCCN2Cc1[nH+]ccn1C ZINC000179272052 342533783 /nfs/dbraw/zinc/53/37/83/342533783.db2.gz OKKZYPBPPWFDCD-UHFFFAOYSA-N 1 2 272.352 1.885 20 10 CDCDLO COCC(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179673515 357219329 /nfs/dbraw/zinc/21/93/29/357219329.db2.gz ADNOLICQNCOHAH-UHFFFAOYSA-N 1 2 298.770 1.336 20 10 CDCDLO CCn1cc[nH+]c1CNC(=O)c1ccc(C)c(O)c1O ZINC000297348786 371984564 /nfs/dbraw/zinc/98/45/64/371984564.db2.gz YCOOONBQSBJUHT-UHFFFAOYSA-N 1 2 275.308 1.553 20 10 CDCDLO CN1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1=O ZINC000191662692 373507877 /nfs/dbraw/zinc/50/78/77/373507877.db2.gz KBRMPVMFJYAQOB-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO CN1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1=O ZINC000191662692 373507883 /nfs/dbraw/zinc/50/78/83/373507883.db2.gz KBRMPVMFJYAQOB-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO COCC[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000179554889 391210237 /nfs/dbraw/zinc/21/02/37/391210237.db2.gz PNHQEIXGAPTRNZ-UHFFFAOYSA-N 1 2 250.342 1.156 20 10 CDCDLO CC(C)N1CC[N@H+](Cc2cc3c(cc2O)OCO3)CC1=O ZINC000272444044 263004466 /nfs/dbraw/zinc/00/44/66/263004466.db2.gz ISGXCYLBATXHAI-UHFFFAOYSA-N 1 2 292.335 1.174 20 10 CDCDLO CC(C)N1CC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1=O ZINC000272444044 263004467 /nfs/dbraw/zinc/00/44/67/263004467.db2.gz ISGXCYLBATXHAI-UHFFFAOYSA-N 1 2 292.335 1.174 20 10 CDCDLO NC(=O)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000368133711 267147714 /nfs/dbraw/zinc/14/77/14/267147714.db2.gz KCGUTHSHYMNIAM-VIFPVBQESA-N 1 2 268.744 1.743 20 10 CDCDLO NC(=O)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000368133711 267147717 /nfs/dbraw/zinc/14/77/17/267147717.db2.gz KCGUTHSHYMNIAM-VIFPVBQESA-N 1 2 268.744 1.743 20 10 CDCDLO Cc1cc(C[N@H+](C)CCS(C)(=O)=O)ccc1N(C)C ZINC000293159993 524663599 /nfs/dbraw/zinc/66/35/99/524663599.db2.gz RKHAKFIKTQUEHI-UHFFFAOYSA-N 1 2 284.425 1.537 20 10 CDCDLO Cc1cc(C[N@@H+](C)CCS(C)(=O)=O)ccc1N(C)C ZINC000293159993 524663606 /nfs/dbraw/zinc/66/36/06/524663606.db2.gz RKHAKFIKTQUEHI-UHFFFAOYSA-N 1 2 284.425 1.537 20 10 CDCDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000366013631 527461010 /nfs/dbraw/zinc/46/10/10/527461010.db2.gz OULHDFORUZESLJ-SNVBAGLBSA-N 1 2 287.319 1.461 20 10 CDCDLO CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1O)C(F)(F)F ZINC000733329964 575115171 /nfs/dbraw/zinc/11/51/71/575115171.db2.gz MNXCVTHUQAQIJJ-SNVBAGLBSA-N 1 2 294.229 1.967 20 10 CDCDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894783583 619059161 /nfs/dbraw/zinc/05/91/61/619059161.db2.gz WADAEYJBUBUJFG-MRVPVSSYSA-N 1 2 270.279 1.381 20 10 CDCDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894783583 619059162 /nfs/dbraw/zinc/05/91/62/619059162.db2.gz WADAEYJBUBUJFG-MRVPVSSYSA-N 1 2 270.279 1.381 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2CCN(C)C[C@H]2CO)cc1Cl ZINC000877643864 739445273 /nfs/dbraw/zinc/44/52/73/739445273.db2.gz KITNTGDYMWHAQV-LBPRGKRZSA-N 1 2 284.787 1.462 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2CCN(C)C[C@H]2CO)cc1Cl ZINC000877643864 739445278 /nfs/dbraw/zinc/44/52/78/739445278.db2.gz KITNTGDYMWHAQV-LBPRGKRZSA-N 1 2 284.787 1.462 20 10 CDCDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1=CC(=O)CS1 ZINC000779449004 739816191 /nfs/dbraw/zinc/81/61/91/739816191.db2.gz RZNMDVYFWOGDKE-QMMMGPOBSA-N 1 2 263.322 1.395 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC1(O)CCOCC1 ZINC000776174995 740163964 /nfs/dbraw/zinc/16/39/64/740163964.db2.gz UOQJICZPUXOKRY-UHFFFAOYSA-N 1 2 289.734 1.816 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)cc1Cl ZINC000824934033 740677332 /nfs/dbraw/zinc/67/73/32/740677332.db2.gz OEVYFTBVTHBKEW-JQWIXIFHSA-N 1 2 285.771 1.936 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)cc1Cl ZINC000824934033 740677334 /nfs/dbraw/zinc/67/73/34/740677334.db2.gz OEVYFTBVTHBKEW-JQWIXIFHSA-N 1 2 285.771 1.936 20 10 CDCDLO Oc1cc2c(cc1CN1CCn3c[nH+]cc3C1)[C@H](O)CO2 ZINC000811788000 741134626 /nfs/dbraw/zinc/13/46/26/741134626.db2.gz ZWXBPPAIMOZGII-CQSZACIVSA-N 1 2 287.319 1.030 20 10 CDCDLO OC/C=C/C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743657 741801146 /nfs/dbraw/zinc/80/11/46/741801146.db2.gz CXFMHPKZABBCAV-OWOJBTEDSA-N 1 2 290.132 1.932 20 10 CDCDLO COc1cccc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)c1O ZINC000792193455 741936911 /nfs/dbraw/zinc/93/69/11/741936911.db2.gz UULCJJLWFNEPID-QWRGUYRKSA-N 1 2 283.393 1.742 20 10 CDCDLO O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857944112 742293724 /nfs/dbraw/zinc/29/37/24/742293724.db2.gz IXNZWJGTMQRKDU-QQHVMHFCSA-N 1 2 299.330 1.439 20 10 CDCDLO C[N@H+](Cc1cccc(Cl)c1O)[C@@]1(CO)CCOC1 ZINC000862426542 739313411 /nfs/dbraw/zinc/31/34/11/739313411.db2.gz JCURQNYKYKKBMM-CYBMUJFWSA-N 1 2 271.744 1.629 20 10 CDCDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@@]1(CO)CCOC1 ZINC000862426542 739313416 /nfs/dbraw/zinc/31/34/16/739313416.db2.gz JCURQNYKYKKBMM-CYBMUJFWSA-N 1 2 271.744 1.629 20 10 CDCDLO Cc1cc(C[N@H+](C)Cc2cn(C)nn2)ccc1N(C)C ZINC000852553166 740758191 /nfs/dbraw/zinc/75/81/91/740758191.db2.gz MSPNCYDYWSPGFU-UHFFFAOYSA-N 1 2 273.384 1.822 20 10 CDCDLO Cc1cc(C[N@@H+](C)Cc2cn(C)nn2)ccc1N(C)C ZINC000852553166 740758201 /nfs/dbraw/zinc/75/82/01/740758201.db2.gz MSPNCYDYWSPGFU-UHFFFAOYSA-N 1 2 273.384 1.822 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000862532247 740861676 /nfs/dbraw/zinc/86/16/76/740861676.db2.gz UVYQYVBPHZAQHK-LLVKDONJSA-N 1 2 288.750 1.341 20 10 CDCDLO Cn1ncc2c1nc[nH+]c2NCc1ccccc1O ZINC000133737690 741062492 /nfs/dbraw/zinc/06/24/92/741062492.db2.gz XOQYXSISTJLWPE-UHFFFAOYSA-N 1 2 255.281 1.681 20 10 CDCDLO COC(=O)c1n[nH]c2c1C[N@H+](Cc1ccccc1O)CC2 ZINC000825017879 741444321 /nfs/dbraw/zinc/44/43/21/741444321.db2.gz ZHTRMECOGBLSDI-UHFFFAOYSA-N 1 2 287.319 1.460 20 10 CDCDLO COC(=O)c1n[nH]c2c1C[N@@H+](Cc1ccccc1O)CC2 ZINC000825017879 741444322 /nfs/dbraw/zinc/44/43/22/741444322.db2.gz ZHTRMECOGBLSDI-UHFFFAOYSA-N 1 2 287.319 1.460 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1COC[C@H]1O ZINC000877667180 741975759 /nfs/dbraw/zinc/97/57/59/741975759.db2.gz FCWNYIVLFDPGRS-VHSXEESVSA-N 1 2 261.680 1.034 20 10 CDCDLO COCCOC1C[NH+](Cc2cccc(OC)c2O)C1 ZINC000838986001 742448791 /nfs/dbraw/zinc/44/87/91/742448791.db2.gz FFGTUWGQUVOSJF-UHFFFAOYSA-N 1 2 267.325 1.248 20 10 CDCDLO Nc1ccc(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000857846095 742828513 /nfs/dbraw/zinc/82/85/13/742828513.db2.gz XGMOPUFUFVTUTN-CYBMUJFWSA-N 1 2 284.363 1.387 20 10 CDCDLO CN(CC(=O)N1CCc2cccc(O)c2C1)c1cccc[nH+]1 ZINC001177412183 914667082 /nfs/dbraw/zinc/66/70/82/914667082.db2.gz KQFKTDBGBKQUOL-UHFFFAOYSA-N 1 2 297.358 1.808 20 10 CDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000228301350 911873696 /nfs/dbraw/zinc/87/36/96/911873696.db2.gz PVVMVUQLJHNTLO-ZDUSSCGKSA-N 1 2 294.326 1.444 20 10 CDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000228301350 911873704 /nfs/dbraw/zinc/87/37/04/911873704.db2.gz PVVMVUQLJHNTLO-ZDUSSCGKSA-N 1 2 294.326 1.444 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](CO)C1 ZINC001139126979 936599602 /nfs/dbraw/zinc/59/96/02/936599602.db2.gz DVGVXQNEUKTZRK-LLVKDONJSA-N 1 2 289.331 1.621 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](CO)C1 ZINC001139126979 936599603 /nfs/dbraw/zinc/59/96/03/936599603.db2.gz DVGVXQNEUKTZRK-LLVKDONJSA-N 1 2 289.331 1.621 20 10 CDCDLO Nc1ncnc(Cl)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001139441674 936621460 /nfs/dbraw/zinc/62/14/60/936621460.db2.gz JBVJIKMNOCYGEE-UHFFFAOYSA-N 1 2 290.754 1.976 20 10 CDCDLO Nc1ncnc(Cl)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001139441674 936621461 /nfs/dbraw/zinc/62/14/61/936621461.db2.gz JBVJIKMNOCYGEE-UHFFFAOYSA-N 1 2 290.754 1.976 20 10 CDCDLO C[N@@H+]1CCCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139683788 936634854 /nfs/dbraw/zinc/63/48/54/936634854.db2.gz DVTYAUSQFQIEJH-UHFFFAOYSA-N 1 2 256.296 1.808 20 10 CDCDLO C[N@H+]1CCCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139683788 936634855 /nfs/dbraw/zinc/63/48/55/936634855.db2.gz DVTYAUSQFQIEJH-UHFFFAOYSA-N 1 2 256.296 1.808 20 10 CDCDLO C[C@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CC[C@@H]1O ZINC001140582253 936726892 /nfs/dbraw/zinc/72/68/92/936726892.db2.gz FQORWVYXOURLAL-UFBFGSQYSA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@@H]1O ZINC001140582253 936726894 /nfs/dbraw/zinc/72/68/94/936726894.db2.gz FQORWVYXOURLAL-UFBFGSQYSA-N 1 2 257.280 1.873 20 10 CDCDLO C[NH+]1CC2(CN(Cc3c(O)cc(F)cc3F)C2)C1 ZINC001140585189 936728224 /nfs/dbraw/zinc/72/82/24/936728224.db2.gz XUDKYLLAOUPUQG-UHFFFAOYSA-N 1 2 254.280 1.418 20 10 CDCDLO CN1CCOc2cc(C[N@@H+]3CC[C@@H](O)[C@@H](F)C3)ccc21 ZINC001141141326 936818873 /nfs/dbraw/zinc/81/88/73/936818873.db2.gz XAJNSGFGCYUOCA-GXTWGEPZSA-N 1 2 280.343 1.420 20 10 CDCDLO CN1CCOc2cc(C[N@H+]3CC[C@@H](O)[C@@H](F)C3)ccc21 ZINC001141141326 936818875 /nfs/dbraw/zinc/81/88/75/936818875.db2.gz XAJNSGFGCYUOCA-GXTWGEPZSA-N 1 2 280.343 1.420 20 10 CDCDLO O=C(Cc1c[nH]c[nH+]1)NCc1ccc2cccnc2c1O ZINC001162612866 939102932 /nfs/dbraw/zinc/10/29/32/939102932.db2.gz RKMHXTPCFXRGTH-UHFFFAOYSA-N 1 2 282.303 1.522 20 10 CDCDLO COc1cc(CN2CCc3[nH+]ccn3CC2)cc(O)c1O ZINC001204346308 939759607 /nfs/dbraw/zinc/75/96/07/939759607.db2.gz MVEIFOMUQNBSSN-UHFFFAOYSA-N 1 2 289.335 1.361 20 10 CDCDLO C[N@@H+]1CCC12CN(C(=O)c1ccc(O)c(O)c1Cl)C2 ZINC001276527078 940185481 /nfs/dbraw/zinc/18/54/81/940185481.db2.gz CYUPQWHNWUDHNP-UHFFFAOYSA-N 1 2 282.727 1.281 20 10 CDCDLO C[N@H+]1CCC12CN(C(=O)c1ccc(O)c(O)c1Cl)C2 ZINC001276527078 940185482 /nfs/dbraw/zinc/18/54/82/940185482.db2.gz CYUPQWHNWUDHNP-UHFFFAOYSA-N 1 2 282.727 1.281 20 10 CDCDLO CCn1cc(C[NH2+][C@@H](C)c2ccc(F)cc2O)nn1 ZINC000404440606 940962782 /nfs/dbraw/zinc/96/27/82/940962782.db2.gz GZXWPPLMDOSERJ-VIFPVBQESA-N 1 2 264.304 1.994 20 10 CDCDLO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c(O)cc1O ZINC001231634502 942950318 /nfs/dbraw/zinc/95/03/18/942950318.db2.gz OBSIEKVMBAQNPE-VHSXEESVSA-N 1 2 271.288 1.011 20 10 CDCDLO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c(O)cc1O ZINC001231634502 942950320 /nfs/dbraw/zinc/95/03/20/942950320.db2.gz OBSIEKVMBAQNPE-VHSXEESVSA-N 1 2 271.288 1.011 20 10 CDCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001231909346 943038124 /nfs/dbraw/zinc/03/81/24/943038124.db2.gz JZPZCKMVWZOGCV-QWRGUYRKSA-N 1 2 259.708 1.950 20 10 CDCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001231909346 943038127 /nfs/dbraw/zinc/03/81/27/943038127.db2.gz JZPZCKMVWZOGCV-QWRGUYRKSA-N 1 2 259.708 1.950 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1O ZINC001231910950 943050037 /nfs/dbraw/zinc/05/00/37/943050037.db2.gz WSSYRXTZDHFMCT-ZYHUDNBSSA-N 1 2 271.744 1.221 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1O ZINC001231910950 943050047 /nfs/dbraw/zinc/05/00/47/943050047.db2.gz WSSYRXTZDHFMCT-ZYHUDNBSSA-N 1 2 271.744 1.221 20 10 CDCDLO Oc1cc(C[NH+]2CC(c3cccnc3)C2)cc(O)c1O ZINC001233016662 943464686 /nfs/dbraw/zinc/46/46/86/943464686.db2.gz ITRIRAGCBPWIEU-UHFFFAOYSA-N 1 2 272.304 1.798 20 10 CDCDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001255474388 947928128 /nfs/dbraw/zinc/92/81/28/947928128.db2.gz RMULTFGQWMJURN-CQSZACIVSA-N 1 2 287.407 1.949 20 10 CDCDLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001255474388 947928134 /nfs/dbraw/zinc/92/81/34/947928134.db2.gz RMULTFGQWMJURN-CQSZACIVSA-N 1 2 287.407 1.949 20 10 CDCDLO CCOCc1cc(C[NH2+]Cc2nncn2C)ccc1OC ZINC001308198416 956492236 /nfs/dbraw/zinc/49/22/36/956492236.db2.gz XAPMBIIMSVRPLH-UHFFFAOYSA-N 1 2 290.367 1.650 20 10 CDCDLO CCCOc1ccc(C[N@H+](C)Cc2nnc[nH]2)c(O)c1 ZINC000179796334 357224680 /nfs/dbraw/zinc/22/46/80/357224680.db2.gz OGVBQQGYMLQEBK-UHFFFAOYSA-N 1 2 276.340 1.931 20 10 CDCDLO CCCOc1ccc(C[N@@H+](C)Cc2nnc[nH]2)c(O)c1 ZINC000179796334 357224682 /nfs/dbraw/zinc/22/46/82/357224682.db2.gz OGVBQQGYMLQEBK-UHFFFAOYSA-N 1 2 276.340 1.931 20 10 CDCDLO CCOCCOC1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000272380076 365212217 /nfs/dbraw/zinc/21/22/17/365212217.db2.gz DQTITLQZXNHARQ-UHFFFAOYSA-N 1 2 278.396 1.990 20 10 CDCDLO CCN1CC[N@H+](Cc2c(O)cccc2Cl)CC1=O ZINC000273532545 365505000 /nfs/dbraw/zinc/50/50/00/365505000.db2.gz VMIFHNVSBANLNV-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO CCN1CC[N@@H+](Cc2c(O)cccc2Cl)CC1=O ZINC000273532545 365505006 /nfs/dbraw/zinc/50/50/06/365505006.db2.gz VMIFHNVSBANLNV-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO COCc1noc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000182652106 391238681 /nfs/dbraw/zinc/23/86/81/391238681.db2.gz VVPRILUXEADXBC-UHFFFAOYSA-N 1 2 263.297 1.554 20 10 CDCDLO COCc1noc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000182652106 391238685 /nfs/dbraw/zinc/23/86/85/391238685.db2.gz VVPRILUXEADXBC-UHFFFAOYSA-N 1 2 263.297 1.554 20 10 CDCDLO COCCN1CC[N@H+](Cc2cc(C)c(C)cc2O)CC1=O ZINC000160788151 261226374 /nfs/dbraw/zinc/22/63/74/261226374.db2.gz FXFYOCSQKQBGMY-UHFFFAOYSA-N 1 2 292.379 1.300 20 10 CDCDLO COCCN1CC[N@@H+](Cc2cc(C)c(C)cc2O)CC1=O ZINC000160788151 261226377 /nfs/dbraw/zinc/22/63/77/261226377.db2.gz FXFYOCSQKQBGMY-UHFFFAOYSA-N 1 2 292.379 1.300 20 10 CDCDLO CN(C)c1ccc2c(c1)OCCN2Cc1c[nH+]cn1C ZINC000163183614 261308461 /nfs/dbraw/zinc/30/84/61/261308461.db2.gz JTMLJJUWESVQNJ-UHFFFAOYSA-N 1 2 272.352 1.885 20 10 CDCDLO COC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000180175029 261844607 /nfs/dbraw/zinc/84/46/07/261844607.db2.gz RZQLHSRWYHWELY-LBPRGKRZSA-N 1 2 255.289 1.379 20 10 CDCDLO COC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000180175029 261844610 /nfs/dbraw/zinc/84/46/10/261844610.db2.gz RZQLHSRWYHWELY-LBPRGKRZSA-N 1 2 255.289 1.379 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376940579 268031595 /nfs/dbraw/zinc/03/15/95/268031595.db2.gz IJEIBCPXARUTST-CYBMUJFWSA-N 1 2 285.347 1.810 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1F ZINC000378344824 329046930 /nfs/dbraw/zinc/04/69/30/329046930.db2.gz CYFBKMTYYHXRQY-LBPRGKRZSA-N 1 2 293.342 1.528 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1F ZINC000378344824 329046931 /nfs/dbraw/zinc/04/69/31/329046931.db2.gz CYFBKMTYYHXRQY-LBPRGKRZSA-N 1 2 293.342 1.528 20 10 CDCDLO CCOc1cccc(C[N@H+](C)[C@H](C)C(=O)OC)c1O ZINC000280906249 521334139 /nfs/dbraw/zinc/33/41/39/521334139.db2.gz PZZQAFPLPGABPH-SNVBAGLBSA-N 1 2 267.325 1.784 20 10 CDCDLO CCOc1cccc(C[N@@H+](C)[C@H](C)C(=O)OC)c1O ZINC000280906249 521334140 /nfs/dbraw/zinc/33/41/40/521334140.db2.gz PZZQAFPLPGABPH-SNVBAGLBSA-N 1 2 267.325 1.784 20 10 CDCDLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(F)cc1O ZINC000273399771 525493871 /nfs/dbraw/zinc/49/38/71/525493871.db2.gz MUZAEQQFQCJZNZ-VIFPVBQESA-N 1 2 276.315 1.920 20 10 CDCDLO COc1cccc(C[N@H+](C)Cc2nncn2C)c1O ZINC000289990930 525918919 /nfs/dbraw/zinc/91/89/19/525918919.db2.gz CHAFTUCIPLDSLV-UHFFFAOYSA-N 1 2 262.313 1.161 20 10 CDCDLO COc1cccc(C[N@@H+](C)Cc2nncn2C)c1O ZINC000289990930 525918935 /nfs/dbraw/zinc/91/89/35/525918935.db2.gz CHAFTUCIPLDSLV-UHFFFAOYSA-N 1 2 262.313 1.161 20 10 CDCDLO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000769525330 575356710 /nfs/dbraw/zinc/35/67/10/575356710.db2.gz TWJANHSPLIQKLY-GFCCVEGCSA-N 1 2 288.351 1.866 20 10 CDCDLO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000769525330 575356712 /nfs/dbraw/zinc/35/67/12/575356712.db2.gz TWJANHSPLIQKLY-GFCCVEGCSA-N 1 2 288.351 1.866 20 10 CDCDLO CCOc1ccc(C[N@H+](CC(=O)OC)C2CC2)c(O)c1 ZINC000770281809 575436500 /nfs/dbraw/zinc/43/65/00/575436500.db2.gz WWBMSYUGNLNAIF-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO CCOc1ccc(C[N@@H+](CC(=O)OC)C2CC2)c(O)c1 ZINC000770281809 575436501 /nfs/dbraw/zinc/43/65/01/575436501.db2.gz WWBMSYUGNLNAIF-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000895328914 619567683 /nfs/dbraw/zinc/56/76/83/619567683.db2.gz HLPLKCCSVYVYDK-OQPBUACISA-N 1 2 289.734 1.502 20 10 CDCDLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000895328914 619567687 /nfs/dbraw/zinc/56/76/87/619567687.db2.gz HLPLKCCSVYVYDK-OQPBUACISA-N 1 2 289.734 1.502 20 10 CDCDLO O=C1CCCN1C1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000897786739 621122217 /nfs/dbraw/zinc/12/22/17/621122217.db2.gz XSTJYUKOJXCNLK-UHFFFAOYSA-N 1 2 280.755 1.852 20 10 CDCDLO CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001590471379 1173422961 /nfs/dbraw/zinc/42/29/61/1173422961.db2.gz DEPSOBIPNPSUFQ-KBVBSXBZSA-N 1 2 289.339 1.136 20 10 CDCDLO CC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604067151 1175745153 /nfs/dbraw/zinc/74/51/53/1175745153.db2.gz VCYMWRBYXJIHNE-VHSXEESVSA-N 1 2 291.355 1.384 20 10 CDCDLO CC[C@@H](C)[NH+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000839787626 742867417 /nfs/dbraw/zinc/86/74/17/742867417.db2.gz QBZIDXMFMJKCKS-SNVBAGLBSA-N 1 2 296.342 1.793 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](C)N1CCO ZINC000824925660 745849193 /nfs/dbraw/zinc/84/91/93/745849193.db2.gz CGHBTXGZMCJMLC-TXEJJXNPSA-N 1 2 298.814 1.933 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](C)N1CCO ZINC000824925660 745849197 /nfs/dbraw/zinc/84/91/97/745849197.db2.gz CGHBTXGZMCJMLC-TXEJJXNPSA-N 1 2 298.814 1.933 20 10 CDCDLO CCN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000028940709 746821956 /nfs/dbraw/zinc/82/19/56/746821956.db2.gz DZIUPJTUUYSNHV-UHFFFAOYSA-N 1 2 264.325 1.258 20 10 CDCDLO COC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)OC ZINC000781529900 747093842 /nfs/dbraw/zinc/09/38/42/747093842.db2.gz SEFIKMRUJSBLJM-SNVBAGLBSA-N 1 2 277.723 1.936 20 10 CDCDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876594918 747228093 /nfs/dbraw/zinc/22/80/93/747228093.db2.gz UBENAKYJUCTNRP-VIFPVBQESA-N 1 2 271.263 1.665 20 10 CDCDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876594918 747228098 /nfs/dbraw/zinc/22/80/98/747228098.db2.gz UBENAKYJUCTNRP-VIFPVBQESA-N 1 2 271.263 1.665 20 10 CDCDLO O=C(/C=C\c1ccc(O)c(O)c1)NCCc1[nH]cc[nH+]1 ZINC000779514850 747699327 /nfs/dbraw/zinc/69/93/27/747699327.db2.gz OIJFJUWEAHCICH-RQOWECAXSA-N 1 2 273.292 1.193 20 10 CDCDLO CCNS(=O)(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000224790843 748825372 /nfs/dbraw/zinc/82/53/72/748825372.db2.gz GQPFEZJGWITCOG-UHFFFAOYSA-N 1 2 292.788 1.075 20 10 CDCDLO COc1ccc(CN2CCC(F)(F)[C@@H]([NH3+])C2)c(O)c1 ZINC001206655299 1167172699 /nfs/dbraw/zinc/17/26/99/1167172699.db2.gz GQTAONSTFSSYDF-LBPRGKRZSA-N 1 2 272.295 1.569 20 10 CDCDLO CN(C)C(=O)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137831457 936416796 /nfs/dbraw/zinc/41/67/96/936416796.db2.gz AKYWPZWXMJNCFJ-UHFFFAOYSA-N 1 2 281.331 1.331 20 10 CDCDLO C[C@@]1(CO)CC[N@H+](Cc2c(O)cc(F)cc2F)C[C@H]1O ZINC001140583157 936727871 /nfs/dbraw/zinc/72/78/71/936727871.db2.gz XKAFKRJSAIWFGM-KGLIPLIRSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@@]1(CO)CC[N@@H+](Cc2c(O)cc(F)cc2F)C[C@H]1O ZINC001140583157 936727873 /nfs/dbraw/zinc/72/78/73/936727873.db2.gz XKAFKRJSAIWFGM-KGLIPLIRSA-N 1 2 287.306 1.236 20 10 CDCDLO COc1cc(O)c(C[N@H+](C2CC2)C2COC2)c(OC)c1 ZINC001141029502 936794008 /nfs/dbraw/zinc/79/40/08/936794008.db2.gz UUAZARYAQCKNJA-UHFFFAOYSA-N 1 2 279.336 1.773 20 10 CDCDLO COc1cc(O)c(C[N@@H+](C2CC2)C2COC2)c(OC)c1 ZINC001141029502 936794009 /nfs/dbraw/zinc/79/40/09/936794009.db2.gz UUAZARYAQCKNJA-UHFFFAOYSA-N 1 2 279.336 1.773 20 10 CDCDLO CN1CCOc2cc(C[N@@H+]3C[C@@H](O)[C@@H](F)C3)ccc21 ZINC001141141292 936818700 /nfs/dbraw/zinc/81/87/00/936818700.db2.gz WQGALSHIRJNQJG-WCQYABFASA-N 1 2 266.316 1.030 20 10 CDCDLO CN1CCOc2cc(C[N@H+]3C[C@@H](O)[C@@H](F)C3)ccc21 ZINC001141141292 936818703 /nfs/dbraw/zinc/81/87/03/936818703.db2.gz WQGALSHIRJNQJG-WCQYABFASA-N 1 2 266.316 1.030 20 10 CDCDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1cc(F)ccc1O ZINC000779218942 934480311 /nfs/dbraw/zinc/48/03/11/934480311.db2.gz WTEQJBWDDQHEHO-ZDUSSCGKSA-N 1 2 280.343 1.974 20 10 CDCDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000779218942 934480318 /nfs/dbraw/zinc/48/03/18/934480318.db2.gz WTEQJBWDDQHEHO-ZDUSSCGKSA-N 1 2 280.343 1.974 20 10 CDCDLO O=C(NCc1c(O)cccc1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001156885249 938429060 /nfs/dbraw/zinc/42/90/60/938429060.db2.gz AWRNCGVIKGAFJL-JTQLQIEISA-N 1 2 287.319 1.173 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(OC)cc1O ZINC001203628603 939698019 /nfs/dbraw/zinc/69/80/19/939698019.db2.gz DPASYTPIHHCCBS-LBPRGKRZSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(OC)cc1O ZINC001203628603 939698020 /nfs/dbraw/zinc/69/80/20/939698020.db2.gz DPASYTPIHHCCBS-LBPRGKRZSA-N 1 2 295.335 1.165 20 10 CDCDLO O=C1NCC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)N1 ZINC001231914846 943055039 /nfs/dbraw/zinc/05/50/39/943055039.db2.gz RYDYHNFXRJATNU-UHFFFAOYSA-N 1 2 295.770 1.693 20 10 CDCDLO Cn1cc(C[N@H+](C)Cc2cc(O)c(O)c(O)c2)cn1 ZINC001233010362 943460676 /nfs/dbraw/zinc/46/06/76/943460676.db2.gz PWCRAMCKXYALID-UHFFFAOYSA-N 1 2 263.297 1.169 20 10 CDCDLO Cn1cc(C[N@@H+](C)Cc2cc(O)c(O)c(O)c2)cn1 ZINC001233010362 943460681 /nfs/dbraw/zinc/46/06/81/943460681.db2.gz PWCRAMCKXYALID-UHFFFAOYSA-N 1 2 263.297 1.169 20 10 CDCDLO Cc1ccc(C[N@@H+]2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235500553 944174800 /nfs/dbraw/zinc/17/48/00/944174800.db2.gz FCMDIZZIBPTAHV-UHFFFAOYSA-N 1 2 273.336 1.405 20 10 CDCDLO Cc1ccc(C[N@H+]2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235500553 944174806 /nfs/dbraw/zinc/17/48/06/944174806.db2.gz FCMDIZZIBPTAHV-UHFFFAOYSA-N 1 2 273.336 1.405 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1O ZINC001237119725 944661254 /nfs/dbraw/zinc/66/12/54/944661254.db2.gz FEDNSYGZTNYBAU-GZMMTYOYSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1O ZINC001237119725 944661259 /nfs/dbraw/zinc/66/12/59/944661259.db2.gz FEDNSYGZTNYBAU-GZMMTYOYSA-N 1 2 289.734 1.360 20 10 CDCDLO C[NH+]1CC2(CN(Cc3cc(F)cc(Cl)c3O)C2)C1 ZINC001237801256 944955771 /nfs/dbraw/zinc/95/57/71/944955771.db2.gz GDADWMUSTLWPIC-UHFFFAOYSA-N 1 2 270.735 1.932 20 10 CDCDLO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001605005318 1163412185 /nfs/dbraw/zinc/41/21/85/1163412185.db2.gz GMKMCCCSFZLUIB-UTLUCORTSA-N 1 2 291.355 1.646 20 10 CDCDLO C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001598665807 994674122 /nfs/dbraw/zinc/67/41/22/994674122.db2.gz CFABVDUILUUYDH-DTWKUNHWSA-N 1 2 252.314 1.349 20 10 CDCDLO COCC[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000179641521 357218321 /nfs/dbraw/zinc/21/83/21/357218321.db2.gz ANHYDPQHMVLCPQ-UHFFFAOYSA-N 1 2 284.787 1.810 20 10 CDCDLO Cc1nc(CC[NH2+]Cc2c(O)cccc2Cl)n[nH]1 ZINC000272364172 371100765 /nfs/dbraw/zinc/10/07/65/371100765.db2.gz CHVZGQXGVQSSQH-UHFFFAOYSA-N 1 2 266.732 1.804 20 10 CDCDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000274128776 371188083 /nfs/dbraw/zinc/18/80/83/371188083.db2.gz ORYBQCPJBCDWSH-LBPRGKRZSA-N 1 2 287.356 1.540 20 10 CDCDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000274128776 371188088 /nfs/dbraw/zinc/18/80/88/371188088.db2.gz ORYBQCPJBCDWSH-LBPRGKRZSA-N 1 2 287.356 1.540 20 10 CDCDLO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(F)c(F)c1O ZINC000187827721 327860556 /nfs/dbraw/zinc/86/05/56/327860556.db2.gz DRTOLGPURSYVOE-ZETCQYMHSA-N 1 2 272.295 1.833 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)CCn1cc[nH+]c1 ZINC000263654839 334673485 /nfs/dbraw/zinc/67/34/85/334673485.db2.gz GVTAPYKCZAZEJP-UHFFFAOYSA-N 1 2 259.309 1.637 20 10 CDCDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ncnn1C ZINC000276639820 525434469 /nfs/dbraw/zinc/43/44/69/525434469.db2.gz HIXCCBICCYXWHP-QMMMGPOBSA-N 1 2 277.284 1.280 20 10 CDCDLO O=C(NCCc1cn2c([nH+]1)CCCC2)C1=CC(=O)CS1 ZINC000732267559 575084888 /nfs/dbraw/zinc/08/48/88/575084888.db2.gz KMIZECSKZAYKFT-UHFFFAOYSA-N 1 2 291.376 1.959 20 10 CDCDLO CC(C)C[NH+]1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732257011 575086034 /nfs/dbraw/zinc/08/60/34/575086034.db2.gz BBALZUYEMCEBEE-UHFFFAOYSA-N 1 2 268.382 1.868 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000773750392 575837677 /nfs/dbraw/zinc/83/76/77/575837677.db2.gz YRARLOIERITTQP-LBPRGKRZSA-N 1 2 261.369 1.463 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000773750392 575837678 /nfs/dbraw/zinc/83/76/78/575837678.db2.gz YRARLOIERITTQP-LBPRGKRZSA-N 1 2 261.369 1.463 20 10 CDCDLO C[C@@H]([NH2+]CC(F)(F)CO)c1cc(F)cc(F)c1O ZINC000768285885 576268122 /nfs/dbraw/zinc/26/81/22/576268122.db2.gz IJODBXJZEIFTLX-ZCFIWIBFSA-N 1 2 267.222 1.949 20 10 CDCDLO COc1cccc(C[N@@H+]2CCc3c[nH]nc3C2)c1O ZINC000769469471 576356887 /nfs/dbraw/zinc/35/68/87/576356887.db2.gz YNTDMRYMEPFUSC-UHFFFAOYSA-N 1 2 259.309 1.682 20 10 CDCDLO COc1cccc(C[N@H+]2CCc3c[nH]nc3C2)c1O ZINC000769469471 576356890 /nfs/dbraw/zinc/35/68/90/576356890.db2.gz YNTDMRYMEPFUSC-UHFFFAOYSA-N 1 2 259.309 1.682 20 10 CDCDLO COc1cccc(C[N@@H+]2CCc3cn[nH]c3C2)c1O ZINC000769469471 576356891 /nfs/dbraw/zinc/35/68/91/576356891.db2.gz YNTDMRYMEPFUSC-UHFFFAOYSA-N 1 2 259.309 1.682 20 10 CDCDLO COc1cccc(C[N@H+]2CCc3cn[nH]c3C2)c1O ZINC000769469471 576356892 /nfs/dbraw/zinc/35/68/92/576356892.db2.gz YNTDMRYMEPFUSC-UHFFFAOYSA-N 1 2 259.309 1.682 20 10 CDCDLO C[C@H]([NH2+]CCNC(=O)C1CC1)c1cc(F)cc(F)c1O ZINC000756371596 576987333 /nfs/dbraw/zinc/98/73/33/576987333.db2.gz LVXFDUFUOUJIBV-QMMMGPOBSA-N 1 2 284.306 1.847 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1OC ZINC000898186017 621379363 /nfs/dbraw/zinc/37/93/63/621379363.db2.gz AAPKIZOTZBQTIB-WDEREUQCSA-N 1 2 285.315 1.314 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1OC ZINC000898186017 621379367 /nfs/dbraw/zinc/37/93/67/621379367.db2.gz AAPKIZOTZBQTIB-WDEREUQCSA-N 1 2 285.315 1.314 20 10 CDCDLO C[C@H]([NH2+]C[C@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1O ZINC001589965878 1173216062 /nfs/dbraw/zinc/21/60/62/1173216062.db2.gz RHNOSOBPHTUEEI-VHSXEESVSA-N 1 2 289.339 1.402 20 10 CDCDLO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978356 1173219824 /nfs/dbraw/zinc/21/98/24/1173219824.db2.gz OEGZTOWGBOFIDS-UINNMSKDSA-N 1 2 289.339 1.136 20 10 CDCDLO C[C@H]([NH2+]Cc1ccnn1C)c1cccc(-c2nn[nH]n2)c1O ZINC001603670392 1175592740 /nfs/dbraw/zinc/59/27/40/1175592740.db2.gz GSFSAERXCOBZBT-VIFPVBQESA-N 1 2 299.338 1.157 20 10 CDCDLO CC[C@@H]([NH2+]CCCOC)c1cccc(-c2nn[nH]n2)c1O ZINC001604054275 1175736233 /nfs/dbraw/zinc/73/62/33/1175736233.db2.gz HKLORELRUMOCCN-GFCCVEGCSA-N 1 2 291.355 1.650 20 10 CDCDLO COCC[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000305783342 751807973 /nfs/dbraw/zinc/80/79/73/751807973.db2.gz WCSSADUKKLRLPJ-UHFFFAOYSA-N 1 2 259.733 1.486 20 10 CDCDLO COCC[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000305783342 751807977 /nfs/dbraw/zinc/80/79/77/751807977.db2.gz WCSSADUKKLRLPJ-UHFFFAOYSA-N 1 2 259.733 1.486 20 10 CDCDLO CC[N@H+](CC(=O)N(C)C)Cc1cc(F)cc(C(C)=O)c1O ZINC000050149357 749418259 /nfs/dbraw/zinc/41/82/59/749418259.db2.gz HMBMMIHPXRRLLY-UHFFFAOYSA-N 1 2 296.342 1.644 20 10 CDCDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(F)cc(C(C)=O)c1O ZINC000050149357 749418268 /nfs/dbraw/zinc/41/82/68/749418268.db2.gz HMBMMIHPXRRLLY-UHFFFAOYSA-N 1 2 296.342 1.644 20 10 CDCDLO Cc1cc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)ccc1N(C)C ZINC000815098946 749493439 /nfs/dbraw/zinc/49/34/39/749493439.db2.gz OYJJPKJSXNZTRU-ZDUSSCGKSA-N 1 2 275.396 1.724 20 10 CDCDLO Cc1cc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)ccc1N(C)C ZINC000815098946 749493443 /nfs/dbraw/zinc/49/34/43/749493443.db2.gz OYJJPKJSXNZTRU-ZDUSSCGKSA-N 1 2 275.396 1.724 20 10 CDCDLO CN(C)c1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000155835074 750800708 /nfs/dbraw/zinc/80/07/08/750800708.db2.gz SVKLSMKTLSRSHC-AWEZNQCLSA-N 1 2 298.390 1.828 20 10 CDCDLO CCOC(=O)[C@@H]([NH2+]Cc1ccccc1O)C1CCOCC1 ZINC000789579291 751109040 /nfs/dbraw/zinc/10/90/40/751109040.db2.gz GKSIFFARJGMDLN-HNNXBMFYSA-N 1 2 293.363 1.840 20 10 CDCDLO Oc1ccc(F)cc1C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000139745250 752691242 /nfs/dbraw/zinc/69/12/42/752691242.db2.gz OXZUTWPIUXUTEE-HNNXBMFYSA-N 1 2 294.370 1.828 20 10 CDCDLO COC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000817943289 752841820 /nfs/dbraw/zinc/84/18/20/752841820.db2.gz UAAQAAAWMZCITK-JKSUJKDBSA-N 1 2 277.412 1.767 20 10 CDCDLO Cc1cccc(O)c1C[N@H+](C)Cc1nnc2n1CCC2 ZINC000876558688 752936818 /nfs/dbraw/zinc/93/68/18/752936818.db2.gz VJSNNOTXIZDLKT-UHFFFAOYSA-N 1 2 272.352 1.870 20 10 CDCDLO Cc1cccc(O)c1C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000876558688 752936825 /nfs/dbraw/zinc/93/68/25/752936825.db2.gz VJSNNOTXIZDLKT-UHFFFAOYSA-N 1 2 272.352 1.870 20 10 CDCDLO Oc1ccc(F)cc1C[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000848924691 753694120 /nfs/dbraw/zinc/69/41/20/753694120.db2.gz YDRJFLXITWPYLD-GFCCVEGCSA-N 1 2 292.314 1.791 20 10 CDCDLO C[NH+]1CCN(C2CN(Cc3c(O)cc(F)cc3F)C2)CC1 ZINC001140585995 1167050903 /nfs/dbraw/zinc/05/09/03/1167050903.db2.gz YZPUSVUCFWEDEF-UHFFFAOYSA-N 1 2 297.349 1.102 20 10 CDCDLO C[C@]1(CO)CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582873 896960916 /nfs/dbraw/zinc/96/09/16/896960916.db2.gz OINQBCXJHBYJPP-ZDUSSCGKSA-N 1 2 257.280 1.875 20 10 CDCDLO C[C@]1(CO)CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582873 896960932 /nfs/dbraw/zinc/96/09/32/896960932.db2.gz OINQBCXJHBYJPP-ZDUSSCGKSA-N 1 2 257.280 1.875 20 10 CDCDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001142512916 908837718 /nfs/dbraw/zinc/83/77/18/908837718.db2.gz PMCUJYAMHAZJHK-RJIBLYRGSA-N 1 2 299.317 1.642 20 10 CDCDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)c(F)cc1O ZINC001142512916 908837725 /nfs/dbraw/zinc/83/77/25/908837725.db2.gz PMCUJYAMHAZJHK-RJIBLYRGSA-N 1 2 299.317 1.642 20 10 CDCDLO C[C@H](CC(N)=O)[NH2+]Cc1cccc(Br)c1O ZINC000160804948 910123181 /nfs/dbraw/zinc/12/31/81/910123181.db2.gz PQIGNDXMCVWWEU-SSDOTTSWSA-N 1 2 287.157 1.508 20 10 CDCDLO COC(=O)[C@]1(F)CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137832072 936416600 /nfs/dbraw/zinc/41/66/00/936416600.db2.gz ZOSLOTMXTLZBCJ-ZDUSSCGKSA-N 1 2 271.263 1.618 20 10 CDCDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137832072 936416601 /nfs/dbraw/zinc/41/66/01/936416601.db2.gz ZOSLOTMXTLZBCJ-ZDUSSCGKSA-N 1 2 271.263 1.618 20 10 CDCDLO OC[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C[C@@H]1O ZINC001237808623 917631895 /nfs/dbraw/zinc/63/18/95/917631895.db2.gz VBYZNDRYBOMYFI-PELKAZGASA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C[C@@H]1O ZINC001237808623 917631905 /nfs/dbraw/zinc/63/19/05/917631905.db2.gz VBYZNDRYBOMYFI-PELKAZGASA-N 1 2 289.734 1.360 20 10 CDCDLO CC(=O)N1CC[N@@H+](Cc2cccc(F)c2O)C[C@H]1C ZINC001138129672 936476073 /nfs/dbraw/zinc/47/60/73/936476073.db2.gz QFYHKRLKDVUASR-SNVBAGLBSA-N 1 2 266.316 1.584 20 10 CDCDLO CC(=O)N1CC[N@H+](Cc2cccc(F)c2O)C[C@H]1C ZINC001138129672 936476074 /nfs/dbraw/zinc/47/60/74/936476074.db2.gz QFYHKRLKDVUASR-SNVBAGLBSA-N 1 2 266.316 1.584 20 10 CDCDLO O=CN1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000827872279 936611687 /nfs/dbraw/zinc/61/16/87/936611687.db2.gz TUASTJCNLDRZOR-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO O=CN1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000827872279 936611688 /nfs/dbraw/zinc/61/16/88/936611688.db2.gz TUASTJCNLDRZOR-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO Cc1cc(C[NH+]2CCN(C#N)CC2)ccc1N(C)C ZINC001139673546 936634831 /nfs/dbraw/zinc/63/48/31/936634831.db2.gz DQPPPHFNCRHWHQ-UHFFFAOYSA-N 1 2 258.369 1.660 20 10 CDCDLO O=C1NCC[C@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140582530 936727330 /nfs/dbraw/zinc/72/73/30/936727330.db2.gz JOSZRQSLVRQVEE-CQSZACIVSA-N 1 2 282.290 1.382 20 10 CDCDLO O=C1NCC[C@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140582530 936727332 /nfs/dbraw/zinc/72/73/32/936727332.db2.gz JOSZRQSLVRQVEE-CQSZACIVSA-N 1 2 282.290 1.382 20 10 CDCDLO C[C@]1(O)COCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237616932 944888087 /nfs/dbraw/zinc/88/80/87/944888087.db2.gz JZUOFGRQLDHKLV-CYBMUJFWSA-N 1 2 289.734 1.768 20 10 CDCDLO C[C@]1(O)COCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237616932 944888089 /nfs/dbraw/zinc/88/80/89/944888089.db2.gz JZUOFGRQLDHKLV-CYBMUJFWSA-N 1 2 289.734 1.768 20 10 CDCDLO COc1ccc(O)c(C[NH+]2CC(OCC(F)F)C2)c1 ZINC000839138833 936905937 /nfs/dbraw/zinc/90/59/37/936905937.db2.gz ULHPFQQNDWTPMF-UHFFFAOYSA-N 1 2 273.279 1.867 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001142508633 937024533 /nfs/dbraw/zinc/02/45/33/937024533.db2.gz FZMIRGJFHOJYQK-NSHDSACASA-N 1 2 284.306 1.187 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001142508633 937024535 /nfs/dbraw/zinc/02/45/35/937024535.db2.gz FZMIRGJFHOJYQK-NSHDSACASA-N 1 2 284.306 1.187 20 10 CDCDLO [NH3+][C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1O ZINC001205945716 926559463 /nfs/dbraw/zinc/55/94/63/926559463.db2.gz CQRCZJVYPUEXMA-GHMZBOCLSA-N 1 2 291.178 1.593 20 10 CDCDLO CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1[O-] ZINC000817982457 930657661 /nfs/dbraw/zinc/65/76/61/930657661.db2.gz SPCCGDCMNMWMRR-TZMCWYRMSA-N 1 2 282.359 1.951 20 10 CDCDLO COc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)c(O)c1OC ZINC001119959946 937768130 /nfs/dbraw/zinc/76/81/30/937768130.db2.gz YWLVJOMMQWLOBK-SECBINFHSA-N 1 2 292.339 1.389 20 10 CDCDLO COc1cccc(C[N@@H+]2CCO[C@H](C(C)=O)C2)c1O ZINC001203602082 939695287 /nfs/dbraw/zinc/69/52/87/939695287.db2.gz ZIKZHRDAJBVWTN-ZDUSSCGKSA-N 1 2 265.309 1.191 20 10 CDCDLO COc1cccc(C[N@H+]2CCO[C@H](C(C)=O)C2)c1O ZINC001203602082 939695288 /nfs/dbraw/zinc/69/52/88/939695288.db2.gz ZIKZHRDAJBVWTN-ZDUSSCGKSA-N 1 2 265.309 1.191 20 10 CDCDLO Oc1ccc(Cl)cc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001203648836 939699641 /nfs/dbraw/zinc/69/96/41/939699641.db2.gz WTFDHQDEGXZSMO-UHFFFAOYSA-N 1 2 270.735 1.884 20 10 CDCDLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204346027 939758677 /nfs/dbraw/zinc/75/86/77/939758677.db2.gz JVZVYALJHILKMA-NHYWBVRUSA-N 1 2 279.336 1.860 20 10 CDCDLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204346027 939758680 /nfs/dbraw/zinc/75/86/80/939758680.db2.gz JVZVYALJHILKMA-NHYWBVRUSA-N 1 2 279.336 1.860 20 10 CDCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001231909344 943052931 /nfs/dbraw/zinc/05/29/31/943052931.db2.gz JZPZCKMVWZOGCV-GHMZBOCLSA-N 1 2 259.708 1.950 20 10 CDCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001231909344 943052939 /nfs/dbraw/zinc/05/29/39/943052939.db2.gz JZPZCKMVWZOGCV-GHMZBOCLSA-N 1 2 259.708 1.950 20 10 CDCDLO C[C@@]1(O)COCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233077038 943486822 /nfs/dbraw/zinc/48/68/22/943486822.db2.gz ZFHUWYZNSBYNKE-ZDUSSCGKSA-N 1 2 273.279 1.254 20 10 CDCDLO C[C@@]1(O)COCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233077038 943486823 /nfs/dbraw/zinc/48/68/23/943486823.db2.gz ZFHUWYZNSBYNKE-ZDUSSCGKSA-N 1 2 273.279 1.254 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2F)C[C@@H]1OC ZINC001233332098 943545129 /nfs/dbraw/zinc/54/51/29/943545129.db2.gz YPHLANAKXCTJPN-TXEJJXNPSA-N 1 2 273.279 1.516 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)C[C@@H]1OC ZINC001233332098 943545134 /nfs/dbraw/zinc/54/51/34/943545134.db2.gz YPHLANAKXCTJPN-TXEJJXNPSA-N 1 2 273.279 1.516 20 10 CDCDLO [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001235172456 944078894 /nfs/dbraw/zinc/07/88/94/944078894.db2.gz PIWICISDWXNDSH-SMDDNHRTSA-N 1 2 262.309 1.014 20 10 CDCDLO [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001235172456 944078903 /nfs/dbraw/zinc/07/89/03/944078903.db2.gz PIWICISDWXNDSH-SMDDNHRTSA-N 1 2 262.309 1.014 20 10 CDCDLO Cn1c2cc(-c3ccc(N)[nH+]c3)ccc2ncc1=O ZINC001236313325 944464722 /nfs/dbraw/zinc/46/47/22/944464722.db2.gz NXUOVBLVRWFCDA-UHFFFAOYSA-N 1 2 252.277 1.578 20 10 CDCDLO COc1cc(C[N@H+]2CCC(=O)[C@@H](F)CC2)c(O)c(OC)c1 ZINC001237670672 944918696 /nfs/dbraw/zinc/91/86/96/944918696.db2.gz VRPHISCSBSKAJH-LBPRGKRZSA-N 1 2 297.326 1.912 20 10 CDCDLO COc1cc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)c(O)c(OC)c1 ZINC001237670672 944918706 /nfs/dbraw/zinc/91/87/06/944918706.db2.gz VRPHISCSBSKAJH-LBPRGKRZSA-N 1 2 297.326 1.912 20 10 CDCDLO COc1cc(C[NH+]2CCOCC2)c(O)c(OC)c1 ZINC001237675412 944921872 /nfs/dbraw/zinc/92/18/72/944921872.db2.gz XGGXCDKORMLCHZ-UHFFFAOYSA-N 1 2 253.298 1.242 20 10 CDCDLO O=C(NCc1cccc(O)c1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001303195636 956065615 /nfs/dbraw/zinc/06/56/15/956065615.db2.gz YKGYWELYBKZSEO-NXEZZACHSA-N 1 2 273.292 1.241 20 10 CDCDLO O=C(NCc1cccc(O)c1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001303195636 956065625 /nfs/dbraw/zinc/06/56/25/956065625.db2.gz YKGYWELYBKZSEO-NXEZZACHSA-N 1 2 273.292 1.241 20 10 CDCDLO C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C[C@H]1O ZINC001308745336 956571925 /nfs/dbraw/zinc/57/19/25/956571925.db2.gz VMVXUOPKNULJHK-GZMMTYOYSA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C[C@H]1O ZINC001308745336 956571930 /nfs/dbraw/zinc/57/19/30/956571930.db2.gz VMVXUOPKNULJHK-GZMMTYOYSA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1c(O)cccc1F ZINC001331229585 956901877 /nfs/dbraw/zinc/90/18/77/956901877.db2.gz LTYVEKWSMJYGAB-VIFPVBQESA-N 1 2 292.314 1.504 20 10 CDCDLO CN(C)[C@H](C(=O)Nc1ccc(N)cc1)c1c[nH+]cn1C ZINC001356608622 969440891 /nfs/dbraw/zinc/44/08/91/969440891.db2.gz QRPKQEWAKQRUIP-ZDUSSCGKSA-N 1 2 273.340 1.244 20 10 CDCDLO CN1CC[NH+](CCCSc2nccs2)CC1 ZINC000181319296 357335174 /nfs/dbraw/zinc/33/51/74/357335174.db2.gz FOWBTDKVZZTJEI-UHFFFAOYSA-N 1 2 257.428 1.873 20 10 CDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000187567774 357780481 /nfs/dbraw/zinc/78/04/81/357780481.db2.gz UREQYHPJCYFKLL-MWLCHTKSSA-N 1 2 285.727 1.154 20 10 CDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000187567774 357780486 /nfs/dbraw/zinc/78/04/86/357780486.db2.gz UREQYHPJCYFKLL-MWLCHTKSSA-N 1 2 285.727 1.154 20 10 CDCDLO COCC[NH+]1CCN(Cc2cc(C)ccc2O)CC1 ZINC000123018719 360252088 /nfs/dbraw/zinc/25/20/88/360252088.db2.gz QCCANDIUNOPBRB-UHFFFAOYSA-N 1 2 264.369 1.465 20 10 CDCDLO COC(=O)C[C@H]1C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000271157652 364949755 /nfs/dbraw/zinc/94/97/55/364949755.db2.gz BUNHZIDHNPJYGJ-LBPRGKRZSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)C[C@H]1C[N@@H+](Cc2cccc(OC)c2O)CCO1 ZINC000271157652 364949760 /nfs/dbraw/zinc/94/97/60/364949760.db2.gz BUNHZIDHNPJYGJ-LBPRGKRZSA-N 1 2 295.335 1.165 20 10 CDCDLO CCN1CC[N@H+](Cc2cc(OC)ccc2O)CC1=O ZINC000273360405 365488199 /nfs/dbraw/zinc/48/81/99/365488199.db2.gz CNURQFYSJUKYIX-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO CCN1CC[N@@H+](Cc2cc(OC)ccc2O)CC1=O ZINC000273360405 365488205 /nfs/dbraw/zinc/48/82/05/365488205.db2.gz CNURQFYSJUKYIX-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000195013523 391373782 /nfs/dbraw/zinc/37/37/82/391373782.db2.gz SEKQDQZSQMOWKD-HNNXBMFYSA-N 1 2 279.336 1.392 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000195013523 391373785 /nfs/dbraw/zinc/37/37/85/391373785.db2.gz SEKQDQZSQMOWKD-HNNXBMFYSA-N 1 2 279.336 1.392 20 10 CDCDLO C[C@@H]([NH2+]CCOCCF)c1cccc(-c2nn[nH]n2)c1O ZINC001589964103 1173212622 /nfs/dbraw/zinc/21/26/22/1173212622.db2.gz QRBNUHYIXXBKTD-SECBINFHSA-N 1 2 295.318 1.209 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC(=O)N1 ZINC000294910437 328283772 /nfs/dbraw/zinc/28/37/72/328283772.db2.gz DYHMTRUSJMAJFK-MRVPVSSYSA-N 1 2 254.717 1.366 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC(=O)N1 ZINC000294910437 328283773 /nfs/dbraw/zinc/28/37/73/328283773.db2.gz DYHMTRUSJMAJFK-MRVPVSSYSA-N 1 2 254.717 1.366 20 10 CDCDLO O=C1OC[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC000378344836 329046926 /nfs/dbraw/zinc/04/69/26/329046926.db2.gz DAMYFQIKNKKCHG-LLVKDONJSA-N 1 2 282.727 1.682 20 10 CDCDLO O=C1OC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCN12 ZINC000378344836 329046927 /nfs/dbraw/zinc/04/69/27/329046927.db2.gz DAMYFQIKNKKCHG-LLVKDONJSA-N 1 2 282.727 1.682 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)c(O)c1 ZINC000769191670 576336955 /nfs/dbraw/zinc/33/69/55/576336955.db2.gz AWDCSQFLOPFYEA-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)c(O)c1 ZINC000769191670 576336956 /nfs/dbraw/zinc/33/69/56/576336956.db2.gz AWDCSQFLOPFYEA-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000759173903 577156901 /nfs/dbraw/zinc/15/69/01/577156901.db2.gz RCVNRQWUXDPKBU-GXTWGEPZSA-N 1 2 296.323 1.584 20 10 CDCDLO CN1CC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000896594007 620160791 /nfs/dbraw/zinc/16/07/91/620160791.db2.gz FIUOVFHCMAOQJI-SECBINFHSA-N 1 2 258.724 1.978 20 10 CDCDLO C[C@@H]([NH2+]CCn1cccn1)c1cccc(-c2nn[nH]n2)c1O ZINC001589965597 1173215329 /nfs/dbraw/zinc/21/53/29/1173215329.db2.gz LSBZWJWNPOKCPK-SNVBAGLBSA-N 1 2 299.338 1.120 20 10 CDCDLO CC(C)OCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603354706 1175546000 /nfs/dbraw/zinc/54/60/00/1175546000.db2.gz WFKXEFOMWCTYOX-JTQLQIEISA-N 1 2 291.355 1.648 20 10 CDCDLO O=C(Cc1[nH]cc[nH+]1)NCCCSc1nccs1 ZINC000827475231 755020828 /nfs/dbraw/zinc/02/08/28/755020828.db2.gz VWXMAMTXFOFAOC-UHFFFAOYSA-N 1 2 282.394 1.707 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000093081406 756129807 /nfs/dbraw/zinc/12/98/07/756129807.db2.gz ACXGCFBIYMNVRG-AWEZNQCLSA-N 1 2 278.352 1.126 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000093081406 756129823 /nfs/dbraw/zinc/12/98/23/756129823.db2.gz ACXGCFBIYMNVRG-AWEZNQCLSA-N 1 2 278.352 1.126 20 10 CDCDLO CN(C)C(=O)C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000708383303 756225533 /nfs/dbraw/zinc/22/55/33/756225533.db2.gz LGHURDVIDOFPGB-UHFFFAOYSA-N 1 2 258.268 1.190 20 10 CDCDLO CN(C)C(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000708383303 756225543 /nfs/dbraw/zinc/22/55/43/756225543.db2.gz LGHURDVIDOFPGB-UHFFFAOYSA-N 1 2 258.268 1.190 20 10 CDCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000840917408 756850743 /nfs/dbraw/zinc/85/07/43/756850743.db2.gz JTSAILHPDWRXRW-UHFFFAOYSA-N 1 2 261.369 1.335 20 10 CDCDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCN(C)C(=O)C1 ZINC000840917408 756850744 /nfs/dbraw/zinc/85/07/44/756850744.db2.gz JTSAILHPDWRXRW-UHFFFAOYSA-N 1 2 261.369 1.335 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH2+]CCn1ccnc1 ZINC000708535589 756916457 /nfs/dbraw/zinc/91/64/57/756916457.db2.gz NCCFNYSDUZXKCO-UHFFFAOYSA-N 1 2 253.252 1.657 20 10 CDCDLO Cc1cc(Br)cc(C[NH2+][C@@H](C)CN)c1O ZINC000841062758 758224155 /nfs/dbraw/zinc/22/41/55/758224155.db2.gz DOSGHIYPYFKWDV-QMMMGPOBSA-N 1 2 273.174 1.900 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]2CO)c1O ZINC000934027825 758369990 /nfs/dbraw/zinc/36/99/90/758369990.db2.gz RZSPQNCKHXBNSO-LLVKDONJSA-N 1 2 269.728 1.815 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]2CO)c1O ZINC000934027825 758370002 /nfs/dbraw/zinc/37/00/02/758370002.db2.gz RZSPQNCKHXBNSO-LLVKDONJSA-N 1 2 269.728 1.815 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000817413983 758618574 /nfs/dbraw/zinc/61/85/74/758618574.db2.gz BENOFWJMFPFBIW-LLVKDONJSA-N 1 2 286.734 1.895 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000817413983 758618578 /nfs/dbraw/zinc/61/85/78/758618578.db2.gz BENOFWJMFPFBIW-LLVKDONJSA-N 1 2 286.734 1.895 20 10 CDCDLO C[NH+](C)C[C@H]1COCCN1Cc1ccc(F)c(F)c1O ZINC001233078416 912713075 /nfs/dbraw/zinc/71/30/75/912713075.db2.gz VNFWXPXLHPATJS-NSHDSACASA-N 1 2 286.322 1.433 20 10 CDCDLO C[C@@]1([NH3+])CC[N@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001204789632 906518869 /nfs/dbraw/zinc/51/88/69/906518869.db2.gz ABPNMYCFLLBSHO-CYBMUJFWSA-N 1 2 250.298 1.014 20 10 CDCDLO C[C@@]1([NH3+])CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001204789632 906518878 /nfs/dbraw/zinc/51/88/78/906518878.db2.gz ABPNMYCFLLBSHO-CYBMUJFWSA-N 1 2 250.298 1.014 20 10 CDCDLO Oc1cc2c(cc1O)C[N@H+](Cc1ccncn1)CCC2 ZINC001140349054 936705177 /nfs/dbraw/zinc/70/51/77/936705177.db2.gz HPWBPQVDVFOJTO-UHFFFAOYSA-N 1 2 271.320 1.836 20 10 CDCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ccncn1)CCC2 ZINC001140349054 936705179 /nfs/dbraw/zinc/70/51/79/936705179.db2.gz HPWBPQVDVFOJTO-UHFFFAOYSA-N 1 2 271.320 1.836 20 10 CDCDLO O=C1CC[N@@H+](Cc2c(O)cc(F)cc2F)C[C@H]2CCCN12 ZINC001140585463 936728215 /nfs/dbraw/zinc/72/82/15/936728215.db2.gz JKCSSNFVBHTCGG-LLVKDONJSA-N 1 2 296.317 1.867 20 10 CDCDLO O=C1CC[N@H+](Cc2c(O)cc(F)cc2F)C[C@H]2CCCN12 ZINC001140585463 936728217 /nfs/dbraw/zinc/72/82/17/936728217.db2.gz JKCSSNFVBHTCGG-LLVKDONJSA-N 1 2 296.317 1.867 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+](C)CC(=O)OC)c(O)c1 ZINC001140857341 936764880 /nfs/dbraw/zinc/76/48/80/936764880.db2.gz OYSNMCMJHKMUQM-UHFFFAOYSA-N 1 2 280.368 1.843 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)OC)c(O)c1 ZINC001140857341 936764881 /nfs/dbraw/zinc/76/48/81/936764881.db2.gz OYSNMCMJHKMUQM-UHFFFAOYSA-N 1 2 280.368 1.843 20 10 CDCDLO COc1ncnc2c1CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141159684 936822307 /nfs/dbraw/zinc/82/23/07/936822307.db2.gz JPTMBQLQDYYOFI-UHFFFAOYSA-N 1 2 287.319 1.455 20 10 CDCDLO COc1ncnc2c1CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141159684 936822308 /nfs/dbraw/zinc/82/23/08/936822308.db2.gz JPTMBQLQDYYOFI-UHFFFAOYSA-N 1 2 287.319 1.455 20 10 CDCDLO C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(O)cc2O)C1 ZINC001205807291 925163675 /nfs/dbraw/zinc/16/36/75/925163675.db2.gz ZQEQQMVEPUBYQH-CMPLNLGQSA-N 1 2 250.342 1.657 20 10 CDCDLO C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001205807291 925163681 /nfs/dbraw/zinc/16/36/81/925163681.db2.gz ZQEQQMVEPUBYQH-CMPLNLGQSA-N 1 2 250.342 1.657 20 10 CDCDLO Cc1cccc(C[N@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c1O ZINC001273769011 925479960 /nfs/dbraw/zinc/47/99/60/925479960.db2.gz DOTXBQRFBPAPOI-HUUCEWRRSA-N 1 2 296.317 1.405 20 10 CDCDLO Cc1cccc(C[N@@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c1O ZINC001273769011 925479965 /nfs/dbraw/zinc/47/99/65/925479965.db2.gz DOTXBQRFBPAPOI-HUUCEWRRSA-N 1 2 296.317 1.405 20 10 CDCDLO NC(=[NH2+])N(C(=O)c1cccc(O)c1O)c1ccccc1F ZINC001148220050 932671429 /nfs/dbraw/zinc/67/14/29/932671429.db2.gz NLQQBAZMIAQKLR-UHFFFAOYSA-N 1 2 289.266 1.777 20 10 CDCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(O)cc1O ZINC001204276550 939751356 /nfs/dbraw/zinc/75/13/56/939751356.db2.gz MVRKEPKJSDQRJV-UHFFFAOYSA-N 1 2 267.325 1.871 20 10 CDCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(O)cc1O ZINC001204276550 939751357 /nfs/dbraw/zinc/75/13/57/939751357.db2.gz MVRKEPKJSDQRJV-UHFFFAOYSA-N 1 2 267.325 1.871 20 10 CDCDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204320911 939755514 /nfs/dbraw/zinc/75/55/14/939755514.db2.gz DGLGVUKLANNQEP-AWEZNQCLSA-N 1 2 287.407 1.949 20 10 CDCDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204320911 939755516 /nfs/dbraw/zinc/75/55/16/939755516.db2.gz DGLGVUKLANNQEP-AWEZNQCLSA-N 1 2 287.407 1.949 20 10 CDCDLO COc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c(O)cc1O ZINC001231638416 942952911 /nfs/dbraw/zinc/95/29/11/942952911.db2.gz ZTZKFNROXNUVRA-AOOOYVTPSA-N 1 2 251.282 1.080 20 10 CDCDLO COc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c(O)cc1O ZINC001231638416 942952916 /nfs/dbraw/zinc/95/29/16/942952916.db2.gz ZTZKFNROXNUVRA-AOOOYVTPSA-N 1 2 251.282 1.080 20 10 CDCDLO COc1cc(N(C)C)ccc1C[NH+]1CC(C)(O)C1 ZINC001231849073 943029724 /nfs/dbraw/zinc/02/97/24/943029724.db2.gz NGHNZEHNLHICOH-UHFFFAOYSA-N 1 2 250.342 1.328 20 10 CDCDLO Oc1cc(O)c(C[NH+]2CCN(CCF)CC2)cc1Cl ZINC001232268489 943196654 /nfs/dbraw/zinc/19/66/54/943196654.db2.gz PPSOTMHDXGDRNP-UHFFFAOYSA-N 1 2 288.750 1.838 20 10 CDCDLO CN(C1COC1)C1C[NH+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232268251 943196704 /nfs/dbraw/zinc/19/67/04/943196704.db2.gz NLVMRQCFITUGRT-UHFFFAOYSA-N 1 2 298.770 1.266 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232840709 943417128 /nfs/dbraw/zinc/41/71/28/943417128.db2.gz HRVXFXDOUBDPEC-UHFFFAOYSA-N 1 2 252.314 1.063 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232840709 943417129 /nfs/dbraw/zinc/41/71/29/943417129.db2.gz HRVXFXDOUBDPEC-UHFFFAOYSA-N 1 2 252.314 1.063 20 10 CDCDLO Oc1cc(C[NH+]2CC3(C2)C[C@H](F)CS3)cc(O)c1O ZINC001233016819 943465066 /nfs/dbraw/zinc/46/50/66/943465066.db2.gz PLDLDVPMQWOGAD-VIFPVBQESA-N 1 2 285.340 1.833 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ncccn2)cc1O ZINC001233487932 943596450 /nfs/dbraw/zinc/59/64/50/943596450.db2.gz XNGAUOZZZYYZRP-LLVKDONJSA-N 1 2 287.319 1.931 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ncccn2)cc1O ZINC001233487932 943596451 /nfs/dbraw/zinc/59/64/51/943596451.db2.gz XNGAUOZZZYYZRP-LLVKDONJSA-N 1 2 287.319 1.931 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@@H]1O ZINC001237935188 945011483 /nfs/dbraw/zinc/01/14/83/945011483.db2.gz RAOLDPFPELUUKD-SKDRFNHKSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@@H]1O ZINC001237935188 945011488 /nfs/dbraw/zinc/01/14/88/945011488.db2.gz RAOLDPFPELUUKD-SKDRFNHKSA-N 1 2 289.734 1.360 20 10 CDCDLO COc1ccc(N(C)CCN(C)c2cc(N)nc[nH+]2)cc1 ZINC001515849868 969918646 /nfs/dbraw/zinc/91/86/46/969918646.db2.gz CAGLSFWFFQUOHL-UHFFFAOYSA-N 1 2 287.367 1.640 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(C(=O)[O-])ccc1O ZINC001593252081 994503211 /nfs/dbraw/zinc/50/32/11/994503211.db2.gz NHPMECIIKMJWCV-PWSUYJOCSA-N 1 2 278.352 1.883 20 10 CDCDLO Oc1ccc(F)cc1C[NH+]1CCN(C2CC2)CC1 ZINC000179917315 357230985 /nfs/dbraw/zinc/23/09/85/357230985.db2.gz VPRUGPCBQBXEPT-UHFFFAOYSA-N 1 2 250.317 1.811 20 10 CDCDLO CCOC(=O)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000226561573 367372960 /nfs/dbraw/zinc/37/29/60/367372960.db2.gz LJLFZNLSXSSXGT-UHFFFAOYSA-N 1 2 282.315 1.805 20 10 CDCDLO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000281588227 367659876 /nfs/dbraw/zinc/65/98/76/367659876.db2.gz LNJOEXBTJINCIJ-BDAKNGLRSA-N 1 2 275.295 1.718 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000493294058 375435620 /nfs/dbraw/zinc/43/56/20/375435620.db2.gz VTAIDLSVYIUNJT-SNAWJCMRSA-N 1 2 284.275 1.920 20 10 CDCDLO CCn1cnnc1C[NH2+]Cc1c(O)cccc1Cl ZINC000113322719 390799020 /nfs/dbraw/zinc/79/90/20/390799020.db2.gz WOLIZTMLVLOLMX-UHFFFAOYSA-N 1 2 266.732 1.947 20 10 CDCDLO COC(=O)[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000272442985 263004516 /nfs/dbraw/zinc/00/45/16/263004516.db2.gz UCRSRODYSKSZKD-MRVPVSSYSA-N 1 2 269.297 1.061 20 10 CDCDLO CCOc1ccc(O)c(C[NH2+][C@@]2(C)CCOC2=O)c1 ZINC000289887997 263112696 /nfs/dbraw/zinc/11/26/96/263112696.db2.gz SKKCUGHFZXCACE-AWEZNQCLSA-N 1 2 265.309 1.586 20 10 CDCDLO CCOC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000049368927 521208172 /nfs/dbraw/zinc/20/81/72/521208172.db2.gz FOZSXUGXZYWWEV-NSHDSACASA-N 1 2 250.342 1.794 20 10 CDCDLO COC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000042304251 523549779 /nfs/dbraw/zinc/54/97/79/523549779.db2.gz UWMPCXGOQCUURT-RKDXNWHRSA-N 1 2 253.298 1.613 20 10 CDCDLO C[N@H+](Cc1ncnn1CC(F)F)Cc1ccccc1O ZINC000278506953 523609231 /nfs/dbraw/zinc/60/92/31/523609231.db2.gz MGNFLUIVCARSQY-UHFFFAOYSA-N 1 2 282.294 1.881 20 10 CDCDLO C[N@@H+](Cc1ncnn1CC(F)F)Cc1ccccc1O ZINC000278506953 523609237 /nfs/dbraw/zinc/60/92/37/523609237.db2.gz MGNFLUIVCARSQY-UHFFFAOYSA-N 1 2 282.294 1.881 20 10 CDCDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000767162339 576163980 /nfs/dbraw/zinc/16/39/80/576163980.db2.gz ZAOOUJCZVZDNNJ-HNNXBMFYSA-N 1 2 291.395 1.090 20 10 CDCDLO CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000767162339 576163984 /nfs/dbraw/zinc/16/39/84/576163984.db2.gz ZAOOUJCZVZDNNJ-HNNXBMFYSA-N 1 2 291.395 1.090 20 10 CDCDLO CC[N@H+](CC(=O)OC)Cc1ccc(N2CCOCC2)cc1 ZINC000769317291 576344996 /nfs/dbraw/zinc/34/49/96/576344996.db2.gz OMHWNQTZKYBIDS-UHFFFAOYSA-N 1 2 292.379 1.518 20 10 CDCDLO CC[N@@H+](CC(=O)OC)Cc1ccc(N2CCOCC2)cc1 ZINC000769317291 576344998 /nfs/dbraw/zinc/34/49/98/576344998.db2.gz OMHWNQTZKYBIDS-UHFFFAOYSA-N 1 2 292.379 1.518 20 10 CDCDLO Cc1ccc(NC(=O)C(=O)NCc2ccccc2O)c(C)[nH+]1 ZINC000756170619 576980274 /nfs/dbraw/zinc/98/02/74/576980274.db2.gz SMLSSBHGZQMNEK-UHFFFAOYSA-N 1 2 299.330 1.659 20 10 CDCDLO COc1ccc(C[NH2+][C@@H](C)c2nc(C)no2)c(O)c1OC ZINC000893972684 618230621 /nfs/dbraw/zinc/23/06/21/618230621.db2.gz LNIZLFYAZYILPO-QMMMGPOBSA-N 1 2 293.323 1.952 20 10 CDCDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894783584 619059110 /nfs/dbraw/zinc/05/91/10/619059110.db2.gz WADAEYJBUBUJFG-QMMMGPOBSA-N 1 2 270.279 1.381 20 10 CDCDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894783584 619059111 /nfs/dbraw/zinc/05/91/11/619059111.db2.gz WADAEYJBUBUJFG-QMMMGPOBSA-N 1 2 270.279 1.381 20 10 CDCDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000708433098 758880976 /nfs/dbraw/zinc/88/09/76/758880976.db2.gz GZIJATDJDCZYCJ-GFCCVEGCSA-N 1 2 284.306 1.771 20 10 CDCDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000708433098 758880977 /nfs/dbraw/zinc/88/09/77/758880977.db2.gz GZIJATDJDCZYCJ-GFCCVEGCSA-N 1 2 284.306 1.771 20 10 CDCDLO Nc1ccc(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000857846096 768863064 /nfs/dbraw/zinc/86/30/64/768863064.db2.gz XGMOPUFUFVTUTN-ZDUSSCGKSA-N 1 2 284.363 1.387 20 10 CDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779499488 770000725 /nfs/dbraw/zinc/00/07/25/770000725.db2.gz IBYIECNAWUNCPQ-JOAKQRRISA-N 1 2 287.319 1.512 20 10 CDCDLO CC[NH2+]CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817951322 771001170 /nfs/dbraw/zinc/00/11/70/771001170.db2.gz DUUMTIRCMZQOKG-VIFPVBQESA-N 1 2 253.302 1.561 20 10 CDCDLO Cn1c[nH+]cc1CCC(=O)NCCc1ccc(O)c(O)c1 ZINC000790075758 771873770 /nfs/dbraw/zinc/87/37/70/771873770.db2.gz NHJFZKYYXSWTIJ-UHFFFAOYSA-N 1 2 289.335 1.123 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000776252111 771907464 /nfs/dbraw/zinc/90/74/64/771907464.db2.gz NWKCPHLDVYDZGB-LBPRGKRZSA-N 1 2 275.707 1.426 20 10 CDCDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](CO)O1 ZINC000787417110 771997503 /nfs/dbraw/zinc/99/75/03/771997503.db2.gz IXWOVEGNEAZELJ-AAEUAGOBSA-N 1 2 282.359 1.473 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](CO)O1 ZINC000787417110 771997514 /nfs/dbraw/zinc/99/75/14/771997514.db2.gz IXWOVEGNEAZELJ-AAEUAGOBSA-N 1 2 282.359 1.473 20 10 CDCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nonc2C)c1 ZINC000872135978 772356577 /nfs/dbraw/zinc/35/65/77/772356577.db2.gz JTOXZEZYKNJNGQ-QMMMGPOBSA-N 1 2 291.307 1.721 20 10 CDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000775711651 772424009 /nfs/dbraw/zinc/42/40/09/772424009.db2.gz DVISXUWJUFCLBW-CQSZACIVSA-N 1 2 295.335 1.165 20 10 CDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000775711651 772424015 /nfs/dbraw/zinc/42/40/15/772424015.db2.gz DVISXUWJUFCLBW-CQSZACIVSA-N 1 2 295.335 1.165 20 10 CDCDLO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCCN1C ZINC000817417472 772488329 /nfs/dbraw/zinc/48/83/29/772488329.db2.gz NNNFUNZGQSYZIV-LBPRGKRZSA-N 1 2 264.369 1.927 20 10 CDCDLO COc1cccc(O)c1C[N@@H+](C)C[C@@H]1CCCN1C ZINC000817417472 772488336 /nfs/dbraw/zinc/48/83/36/772488336.db2.gz NNNFUNZGQSYZIV-LBPRGKRZSA-N 1 2 264.369 1.927 20 10 CDCDLO OC[C@H]1C=C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883048572 772650109 /nfs/dbraw/zinc/65/01/09/772650109.db2.gz REZGCPWIZBDDLW-GZMMTYOYSA-N 1 2 255.264 1.697 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1Cl ZINC000824863937 772702778 /nfs/dbraw/zinc/70/27/78/772702778.db2.gz XUYZIWSAOUKXRE-LLVKDONJSA-N 1 2 296.754 1.990 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1Cl ZINC000824863937 772702780 /nfs/dbraw/zinc/70/27/80/772702780.db2.gz XUYZIWSAOUKXRE-LLVKDONJSA-N 1 2 296.754 1.990 20 10 CDCDLO COC(=O)[C@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399435 772727382 /nfs/dbraw/zinc/72/73/82/772727382.db2.gz JCGCMWGOTHFXPO-LBPRGKRZSA-N 1 2 280.368 1.625 20 10 CDCDLO COC(=O)[C@H](C)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399435 772727387 /nfs/dbraw/zinc/72/73/87/772727387.db2.gz JCGCMWGOTHFXPO-LBPRGKRZSA-N 1 2 280.368 1.625 20 10 CDCDLO CN(C)C(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000133606448 772777219 /nfs/dbraw/zinc/77/72/19/772777219.db2.gz DCHQZFOUQIEMAW-UHFFFAOYSA-N 1 2 297.786 1.845 20 10 CDCDLO COc1ccc(O)c([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000793688417 773369583 /nfs/dbraw/zinc/36/95/83/773369583.db2.gz GIFQTODAIGIJAY-SNVBAGLBSA-N 1 2 289.335 1.934 20 10 CDCDLO COc1ccc(O)c([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000793688417 773369592 /nfs/dbraw/zinc/36/95/92/773369592.db2.gz GIFQTODAIGIJAY-SNVBAGLBSA-N 1 2 289.335 1.934 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000160159119 893907392 /nfs/dbraw/zinc/90/73/92/893907392.db2.gz KSULBVILDRFQQL-GFCCVEGCSA-N 1 2 278.352 1.420 20 10 CDCDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000160159119 893907419 /nfs/dbraw/zinc/90/74/19/893907419.db2.gz KSULBVILDRFQQL-GFCCVEGCSA-N 1 2 278.352 1.420 20 10 CDCDLO CN1C[C@@]2(F)C[N@H+](Cc3ccccc3O)C[C@@]2(F)C1=O ZINC001272618506 914184481 /nfs/dbraw/zinc/18/44/81/914184481.db2.gz JWCDGYYSZAAYBV-ZIAGYGMSSA-N 1 2 282.290 1.096 20 10 CDCDLO CN1C[C@@]2(F)C[N@@H+](Cc3ccccc3O)C[C@@]2(F)C1=O ZINC001272618506 914184489 /nfs/dbraw/zinc/18/44/89/914184489.db2.gz JWCDGYYSZAAYBV-ZIAGYGMSSA-N 1 2 282.290 1.096 20 10 CDCDLO CCOC(=O)CN1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137831815 936417092 /nfs/dbraw/zinc/41/70/92/936417092.db2.gz OQHTVTOOBCEHEY-UHFFFAOYSA-N 1 2 296.342 1.212 20 10 CDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237677673 917545246 /nfs/dbraw/zinc/54/52/46/917545246.db2.gz GXHKAOSJXINXPT-VIFPVBQESA-N 1 2 283.324 1.403 20 10 CDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237677673 917545256 /nfs/dbraw/zinc/54/52/56/917545256.db2.gz GXHKAOSJXINXPT-VIFPVBQESA-N 1 2 283.324 1.403 20 10 CDCDLO O=C1C[N@@H+](Cc2cccc(F)c2O)CC2(CCCC2)N1 ZINC001138130733 936476883 /nfs/dbraw/zinc/47/68/83/936476883.db2.gz GKTIULIUSXUKEI-UHFFFAOYSA-N 1 2 278.327 1.776 20 10 CDCDLO O=C1C[N@H+](Cc2cccc(F)c2O)CC2(CCCC2)N1 ZINC001138130733 936476884 /nfs/dbraw/zinc/47/68/84/936476884.db2.gz GKTIULIUSXUKEI-UHFFFAOYSA-N 1 2 278.327 1.776 20 10 CDCDLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(F)ccc(F)c1O ZINC001139685722 936635545 /nfs/dbraw/zinc/63/55/45/936635545.db2.gz UZOMTVLMCSRJHN-BDAKNGLRSA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1c(F)ccc(F)c1O ZINC001139685722 936635547 /nfs/dbraw/zinc/63/55/47/936635547.db2.gz UZOMTVLMCSRJHN-BDAKNGLRSA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@]1(CO)C[N@H+](Cc2c(O)cc(F)cc2F)CC[C@@H]1O ZINC001140582870 936727139 /nfs/dbraw/zinc/72/71/39/936727139.db2.gz OHBUBKKRJYRBII-UONOGXRCSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@]1(CO)C[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@@H]1O ZINC001140582870 936727140 /nfs/dbraw/zinc/72/71/40/936727140.db2.gz OHBUBKKRJYRBII-UONOGXRCSA-N 1 2 287.306 1.236 20 10 CDCDLO Cc1cccc(CNc2nc(N(C)C)nc(C)[nH+]2)c1O ZINC001160770429 938825974 /nfs/dbraw/zinc/82/59/74/938825974.db2.gz WHDSYRBVSWGIRP-UHFFFAOYSA-N 1 2 273.340 1.872 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CCO[C@H](C(C)=O)C2)c1 ZINC001203684210 939700862 /nfs/dbraw/zinc/70/08/62/939700862.db2.gz OPCWDSRVXGWSHE-AWEZNQCLSA-N 1 2 265.309 1.191 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CCO[C@H](C(C)=O)C2)c1 ZINC001203684210 939700864 /nfs/dbraw/zinc/70/08/64/939700864.db2.gz OPCWDSRVXGWSHE-AWEZNQCLSA-N 1 2 265.309 1.191 20 10 CDCDLO COc1cc(C[N@@H+]2CCC3(C2)OCCO3)cc(O)c1O ZINC001204341792 939757322 /nfs/dbraw/zinc/75/73/22/939757322.db2.gz GIHSNTGRWBCBTG-UHFFFAOYSA-N 1 2 281.308 1.055 20 10 CDCDLO COc1cc(C[N@H+]2CCC3(C2)OCCO3)cc(O)c1O ZINC001204341792 939757325 /nfs/dbraw/zinc/75/73/25/939757325.db2.gz GIHSNTGRWBCBTG-UHFFFAOYSA-N 1 2 281.308 1.055 20 10 CDCDLO CN1CCO[C@H]2C[N@H+](Cc3c(O)ccc(F)c3F)C[C@@H]21 ZINC001276470134 939769330 /nfs/dbraw/zinc/76/93/30/939769330.db2.gz JGEAMHLMZKTHPE-AAEUAGOBSA-N 1 2 284.306 1.185 20 10 CDCDLO CN1CCO[C@H]2C[N@@H+](Cc3c(O)ccc(F)c3F)C[C@@H]21 ZINC001276470134 939769332 /nfs/dbraw/zinc/76/93/32/939769332.db2.gz JGEAMHLMZKTHPE-AAEUAGOBSA-N 1 2 284.306 1.185 20 10 CDCDLO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccc(F)c1O ZINC001276537718 940210327 /nfs/dbraw/zinc/21/03/27/940210327.db2.gz MAZINMLXSJDLNW-STQMWFEESA-N 1 2 250.317 1.810 20 10 CDCDLO C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccc(F)c1O ZINC001276537718 940210331 /nfs/dbraw/zinc/21/03/31/940210331.db2.gz MAZINMLXSJDLNW-STQMWFEESA-N 1 2 250.317 1.810 20 10 CDCDLO COc1ccc(N2CC3(CC[N@@H+]3CC(=O)N(C)C)C2)cc1 ZINC001276924771 941702452 /nfs/dbraw/zinc/70/24/52/941702452.db2.gz PNLROGXWANABLG-UHFFFAOYSA-N 1 2 289.379 1.048 20 10 CDCDLO COc1ccc(N2CC3(CC[N@H+]3CC(=O)N(C)C)C2)cc1 ZINC001276924771 941702453 /nfs/dbraw/zinc/70/24/53/941702453.db2.gz PNLROGXWANABLG-UHFFFAOYSA-N 1 2 289.379 1.048 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+](C)CC(C)=O ZINC001231849429 943028435 /nfs/dbraw/zinc/02/84/35/943028435.db2.gz SOEOFDGPAXZDLI-UHFFFAOYSA-N 1 2 250.342 1.782 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+](C)CC(C)=O ZINC001231849429 943028441 /nfs/dbraw/zinc/02/84/41/943028441.db2.gz SOEOFDGPAXZDLI-UHFFFAOYSA-N 1 2 250.342 1.782 20 10 CDCDLO Cc1ccc(C(=O)NCCc2[nH+]ccn2C)c(O)c1O ZINC001263918724 944030829 /nfs/dbraw/zinc/03/08/29/944030829.db2.gz QTLJHXWNPOMVPY-UHFFFAOYSA-N 1 2 275.308 1.112 20 10 CDCDLO [NH3+][C@@]12C[C@@H]1CCN(Cc1c(O)cc(F)cc1F)C2 ZINC001235154388 944072472 /nfs/dbraw/zinc/07/24/72/944072472.db2.gz FIUFVDWEESDHHD-ISVAXAHUSA-N 1 2 254.280 1.594 20 10 CDCDLO CON(C)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001308466236 956534591 /nfs/dbraw/zinc/53/45/91/956534591.db2.gz VCQCBYGKEHGEKQ-UHFFFAOYSA-N 1 2 262.712 1.768 20 10 CDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001320690102 959328071 /nfs/dbraw/zinc/32/80/71/959328071.db2.gz DYLGZRCTISGXLS-GHMZBOCLSA-N 1 2 289.335 1.603 20 10 CDCDLO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ncn(C)n1 ZINC000275383925 357113750 /nfs/dbraw/zinc/11/37/50/357113750.db2.gz ABKKUGAJPOKHIE-NSHDSACASA-N 1 2 259.357 1.732 20 10 CDCDLO CC1(C)C(=O)NCC[N@H+]1Cc1cc(F)ccc1O ZINC000180072960 357242463 /nfs/dbraw/zinc/24/24/63/357242463.db2.gz DDXININAQBQYQS-UHFFFAOYSA-N 1 2 252.289 1.242 20 10 CDCDLO CC1(C)C(=O)NCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180072960 357242464 /nfs/dbraw/zinc/24/24/64/357242464.db2.gz DDXININAQBQYQS-UHFFFAOYSA-N 1 2 252.289 1.242 20 10 CDCDLO O=C(c1cccc(O)c1O)N1CCC(n2cc[nH+]c2)CC1 ZINC000187049770 357721415 /nfs/dbraw/zinc/72/14/15/357721415.db2.gz HRUPFVUNTARYNA-UHFFFAOYSA-N 1 2 287.319 1.772 20 10 CDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000093441363 360298043 /nfs/dbraw/zinc/29/80/43/360298043.db2.gz UOECOFYSRYGQQA-QWRGUYRKSA-N 1 2 285.727 1.154 20 10 CDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000093441363 360298050 /nfs/dbraw/zinc/29/80/50/360298050.db2.gz UOECOFYSRYGQQA-QWRGUYRKSA-N 1 2 285.727 1.154 20 10 CDCDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000272312767 365185197 /nfs/dbraw/zinc/18/51/97/365185197.db2.gz RVZKXYVLUOUJPE-LLVKDONJSA-N 1 2 252.289 1.371 20 10 CDCDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000272312767 365185199 /nfs/dbraw/zinc/18/51/99/365185199.db2.gz RVZKXYVLUOUJPE-LLVKDONJSA-N 1 2 252.289 1.371 20 10 CDCDLO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187925346 284281104 /nfs/dbraw/zinc/28/11/04/284281104.db2.gz BLWZNPSKFVBHLQ-MRVPVSSYSA-N 1 2 272.295 1.799 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2CCCN(C)C(=O)C2)c1O ZINC000191667910 373510126 /nfs/dbraw/zinc/51/01/26/373510126.db2.gz CRTQBNWVBHHMMJ-UHFFFAOYSA-N 1 2 298.770 1.718 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2CCCN(C)C(=O)C2)c1O ZINC000191667910 373510134 /nfs/dbraw/zinc/51/01/34/373510134.db2.gz CRTQBNWVBHHMMJ-UHFFFAOYSA-N 1 2 298.770 1.718 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCNC(=O)C2(C)C)c1O ZINC000093084514 390899327 /nfs/dbraw/zinc/89/93/27/390899327.db2.gz FXGKIYBQAMIIRF-UHFFFAOYSA-N 1 2 278.352 1.501 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCNC(=O)C2(C)C)c1O ZINC000093084514 390899328 /nfs/dbraw/zinc/89/93/28/390899328.db2.gz FXGKIYBQAMIIRF-UHFFFAOYSA-N 1 2 278.352 1.501 20 10 CDCDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000179581780 391213044 /nfs/dbraw/zinc/21/30/44/391213044.db2.gz PSFPTDMOPPFRJL-LLVKDONJSA-N 1 2 268.744 1.885 20 10 CDCDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000179581780 391213046 /nfs/dbraw/zinc/21/30/46/391213046.db2.gz PSFPTDMOPPFRJL-LLVKDONJSA-N 1 2 268.744 1.885 20 10 CDCDLO CC(=O)NC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000271173748 391291146 /nfs/dbraw/zinc/29/11/46/391291146.db2.gz ISBHTJFARAKVAR-NSHDSACASA-N 1 2 298.770 1.383 20 10 CDCDLO CC(=O)NC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000271173748 391291148 /nfs/dbraw/zinc/29/11/48/391291148.db2.gz ISBHTJFARAKVAR-NSHDSACASA-N 1 2 298.770 1.383 20 10 CDCDLO O=C1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCN1 ZINC000160486600 261216288 /nfs/dbraw/zinc/21/62/88/261216288.db2.gz GZCOUFBPIBDVOU-UHFFFAOYSA-N 1 2 273.380 1.609 20 10 CDCDLO O=C1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCN1 ZINC000160486600 261216289 /nfs/dbraw/zinc/21/62/89/261216289.db2.gz GZCOUFBPIBDVOU-UHFFFAOYSA-N 1 2 273.380 1.609 20 10 CDCDLO COc1cccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000271189266 295298163 /nfs/dbraw/zinc/29/81/63/295298163.db2.gz KWRVMLMRPMGUBG-QQKBFRNYSA-N 1 2 283.393 1.742 20 10 CDCDLO COc1cccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000271189266 295298165 /nfs/dbraw/zinc/29/81/65/295298165.db2.gz KWRVMLMRPMGUBG-QQKBFRNYSA-N 1 2 283.393 1.742 20 10 CDCDLO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(F)c(F)c1O ZINC000187827747 327860590 /nfs/dbraw/zinc/86/05/90/327860590.db2.gz DRTOLGPURSYVOE-SSDOTTSWSA-N 1 2 272.295 1.833 20 10 CDCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276674456 522251935 /nfs/dbraw/zinc/25/19/35/522251935.db2.gz ZRIGJECTOHMRIQ-ZZXKWVIFSA-N 1 2 298.346 1.915 20 10 CDCDLO CN1CC[N@H+](Cc2c(O)cccc2Cl)CC1=O ZINC000127370837 523906575 /nfs/dbraw/zinc/90/65/75/523906575.db2.gz DAMPLWMJSRBRJM-UHFFFAOYSA-N 1 2 254.717 1.320 20 10 CDCDLO CN1CC[N@@H+](Cc2c(O)cccc2Cl)CC1=O ZINC000127370837 523906578 /nfs/dbraw/zinc/90/65/78/523906578.db2.gz DAMPLWMJSRBRJM-UHFFFAOYSA-N 1 2 254.717 1.320 20 10 CDCDLO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)CC[S@]1=O ZINC000277418873 524292382 /nfs/dbraw/zinc/29/23/82/524292382.db2.gz ICHDTXOKDKNNGC-YPMLDQLKSA-N 1 2 271.357 1.874 20 10 CDCDLO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)CC[S@]1=O ZINC000277418873 524292389 /nfs/dbraw/zinc/29/23/89/524292389.db2.gz ICHDTXOKDKNNGC-YPMLDQLKSA-N 1 2 271.357 1.874 20 10 CDCDLO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cccc(Cl)c1O ZINC000228094311 525584979 /nfs/dbraw/zinc/58/49/79/525584979.db2.gz CKYGOYUEVKTCQZ-TVQRCGJNSA-N 1 2 271.744 1.675 20 10 CDCDLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756532511 576994080 /nfs/dbraw/zinc/99/40/80/576994080.db2.gz COVLZOKVZCCSGC-QMMMGPOBSA-N 1 2 293.335 1.756 20 10 CDCDLO O=C(NCc1ccccc1O)[C@H]1CCn2c[nH+]cc2C1 ZINC000750924466 577016756 /nfs/dbraw/zinc/01/67/56/577016756.db2.gz SKWMYSRNPZDTDK-NSHDSACASA-N 1 2 271.320 1.468 20 10 CDCDLO CN1C[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2O)CCC1=O ZINC000895387840 619625790 /nfs/dbraw/zinc/62/57/90/619625790.db2.gz DZEIXXREYKUPQL-NSHDSACASA-N 1 2 284.306 1.723 20 10 CDCDLO CN1C[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2O)CCC1=O ZINC000895387840 619625793 /nfs/dbraw/zinc/62/57/93/619625793.db2.gz DZEIXXREYKUPQL-NSHDSACASA-N 1 2 284.306 1.723 20 10 CDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281121413 773894403 /nfs/dbraw/zinc/89/44/03/773894403.db2.gz IDLZDRGMMFLHAP-JTQLQIEISA-N 1 2 289.335 1.501 20 10 CDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281121413 773894405 /nfs/dbraw/zinc/89/44/05/773894405.db2.gz IDLZDRGMMFLHAP-JTQLQIEISA-N 1 2 289.335 1.501 20 10 CDCDLO CCc1cccc(C[NH2+][C@H](C(=O)OC)C2CC2)c1O ZINC000848906416 774048972 /nfs/dbraw/zinc/04/89/72/774048972.db2.gz UWYQMTFRRZASJQ-ZDUSSCGKSA-N 1 2 263.337 1.996 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1c(O)cccc1F ZINC000886498677 774678811 /nfs/dbraw/zinc/67/88/11/774678811.db2.gz LWHBDBYSZLMBKV-SECBINFHSA-N 1 2 276.315 1.920 20 10 CDCDLO COc1cccc(CNC(=O)CCCn2cc[nH+]c2)c1O ZINC000156157461 774847925 /nfs/dbraw/zinc/84/79/25/774847925.db2.gz HQXFWAAFDHVFRK-UHFFFAOYSA-N 1 2 289.335 1.694 20 10 CDCDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000846052090 775093026 /nfs/dbraw/zinc/09/30/26/775093026.db2.gz ALQYEHUEPWKEKY-NXEZZACHSA-N 1 2 289.734 1.766 20 10 CDCDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000846052090 775093032 /nfs/dbraw/zinc/09/30/32/775093032.db2.gz ALQYEHUEPWKEKY-NXEZZACHSA-N 1 2 289.734 1.766 20 10 CDCDLO COc1c(N)[nH+]cnc1NCc1ccc(N(C)C)cc1 ZINC000848644054 775413430 /nfs/dbraw/zinc/41/34/30/775413430.db2.gz ZXOSCFNQBHMZJL-UHFFFAOYSA-N 1 2 273.340 1.746 20 10 CDCDLO COc1c(N)nc[nH+]c1NCc1ccc(N(C)C)cc1 ZINC000848644054 775413446 /nfs/dbraw/zinc/41/34/46/775413446.db2.gz ZXOSCFNQBHMZJL-UHFFFAOYSA-N 1 2 273.340 1.746 20 10 CDCDLO Cn1cc(C[N@H+](C)Cc2cc(Cl)ccc2O)nn1 ZINC000827304809 775625379 /nfs/dbraw/zinc/62/53/79/775625379.db2.gz GHSBCLCMIDNHBC-UHFFFAOYSA-N 1 2 266.732 1.806 20 10 CDCDLO Cn1cc(C[N@@H+](C)Cc2cc(Cl)ccc2O)nn1 ZINC000827304809 775625393 /nfs/dbraw/zinc/62/53/93/775625393.db2.gz GHSBCLCMIDNHBC-UHFFFAOYSA-N 1 2 266.732 1.806 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)C[N@H+](C)C1CCC1 ZINC000935945424 776326743 /nfs/dbraw/zinc/32/67/43/776326743.db2.gz WNPMOEKLOPGKNB-UHFFFAOYSA-N 1 2 297.395 1.978 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)C[N@@H+](C)C1CCC1 ZINC000935945424 776326749 /nfs/dbraw/zinc/32/67/49/776326749.db2.gz WNPMOEKLOPGKNB-UHFFFAOYSA-N 1 2 297.395 1.978 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCN(C(C)C)C(=O)C2)c(O)c1 ZINC000780793590 776625410 /nfs/dbraw/zinc/62/54/10/776625410.db2.gz RZYKVBWEZBJTFN-UHFFFAOYSA-N 1 2 292.379 1.844 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCN(C(C)C)C(=O)C2)c(O)c1 ZINC000780793590 776625423 /nfs/dbraw/zinc/62/54/23/776625423.db2.gz RZYKVBWEZBJTFN-UHFFFAOYSA-N 1 2 292.379 1.844 20 10 CDCDLO c1cc2c(cc1C[NH2+]Cc1nnnn1CC1CC1)CCCO2 ZINC000922006147 777105559 /nfs/dbraw/zinc/10/55/59/777105559.db2.gz DJSXYKMYKXTPER-UHFFFAOYSA-N 1 2 299.378 1.698 20 10 CDCDLO Cc1ccc(C[N@H+](C)Cc2nnc3n2CCC3)c(O)c1 ZINC000876558950 777166842 /nfs/dbraw/zinc/16/68/42/777166842.db2.gz ZKLXERQYBXHWLH-UHFFFAOYSA-N 1 2 272.352 1.870 20 10 CDCDLO Cc1ccc(C[N@@H+](C)Cc2nnc3n2CCC3)c(O)c1 ZINC000876558950 777166850 /nfs/dbraw/zinc/16/68/50/777166850.db2.gz ZKLXERQYBXHWLH-UHFFFAOYSA-N 1 2 272.352 1.870 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cc1Cl ZINC000825651422 777302054 /nfs/dbraw/zinc/30/20/54/777302054.db2.gz IEZYJFVMLKVCPS-PWSUYJOCSA-N 1 2 285.771 1.936 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cc1Cl ZINC000825651422 777302055 /nfs/dbraw/zinc/30/20/55/777302055.db2.gz IEZYJFVMLKVCPS-PWSUYJOCSA-N 1 2 285.771 1.936 20 10 CDCDLO COc1ccc(O)c(C[N@H+](C)Cc2nnc(C)o2)c1 ZINC000827039404 777890458 /nfs/dbraw/zinc/89/04/58/777890458.db2.gz RSOQAOQDMORMDG-UHFFFAOYSA-N 1 2 263.297 1.724 20 10 CDCDLO COc1ccc(O)c(C[N@@H+](C)Cc2nnc(C)o2)c1 ZINC000827039404 777890459 /nfs/dbraw/zinc/89/04/59/777890459.db2.gz RSOQAOQDMORMDG-UHFFFAOYSA-N 1 2 263.297 1.724 20 10 CDCDLO CC[C@@H]([NH2+]Cc1nnn(C)n1)c1ccc(F)cc1O ZINC000796970563 778512953 /nfs/dbraw/zinc/51/29/53/778512953.db2.gz CWPRXHOWZXKXFB-SNVBAGLBSA-N 1 2 265.292 1.296 20 10 CDCDLO COc1cccc(C[NH+]2CC(OCC(F)F)C2)c1O ZINC000839137354 778951835 /nfs/dbraw/zinc/95/18/35/778951835.db2.gz FARQSSKBPDPYQN-UHFFFAOYSA-N 1 2 273.279 1.867 20 10 CDCDLO CN(C)C(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000133585516 779876635 /nfs/dbraw/zinc/87/66/35/779876635.db2.gz ODVSWDFHMKVYMK-UHFFFAOYSA-N 1 2 297.786 1.845 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2C[C@@H](CO)OC[C@H]2C)cc1Cl ZINC000824934034 780017118 /nfs/dbraw/zinc/01/71/18/780017118.db2.gz OEVYFTBVTHBKEW-PWSUYJOCSA-N 1 2 285.771 1.936 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)cc1Cl ZINC000824934034 780017131 /nfs/dbraw/zinc/01/71/31/780017131.db2.gz OEVYFTBVTHBKEW-PWSUYJOCSA-N 1 2 285.771 1.936 20 10 CDCDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H](CO)O1 ZINC000191528119 780093065 /nfs/dbraw/zinc/09/30/65/780093065.db2.gz ZKWDGRYFFMKPII-JOYOIKCWSA-N 1 2 255.289 1.113 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H](CO)O1 ZINC000191528119 780093079 /nfs/dbraw/zinc/09/30/79/780093079.db2.gz ZKWDGRYFFMKPII-JOYOIKCWSA-N 1 2 255.289 1.113 20 10 CDCDLO C[C@H]1[NH2+]CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001579505245 1167703551 /nfs/dbraw/zinc/70/35/51/1167703551.db2.gz RLASEBAQLZPZSN-KCJUWKMLSA-N 1 2 251.286 1.140 20 10 CDCDLO COC(=O)C1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC001140337796 936703104 /nfs/dbraw/zinc/70/31/04/936703104.db2.gz FHLZYWAVHBXDKY-UHFFFAOYSA-N 1 2 255.701 1.650 20 10 CDCDLO Oc1cc(Cl)ccc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001140461208 936711909 /nfs/dbraw/zinc/71/19/09/936711909.db2.gz HCWDNBGKIVBMQM-UHFFFAOYSA-N 1 2 270.735 1.884 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](C)C2)c(OC)c1 ZINC001141032341 936795513 /nfs/dbraw/zinc/79/55/13/936795513.db2.gz ZCJPJFNNYLFMOS-JTQLQIEISA-N 1 2 267.325 1.630 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](C)C2)c(OC)c1 ZINC001141032341 936795515 /nfs/dbraw/zinc/79/55/15/936795515.db2.gz ZCJPJFNNYLFMOS-JTQLQIEISA-N 1 2 267.325 1.630 20 10 CDCDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141026312 936794434 /nfs/dbraw/zinc/79/44/34/936794434.db2.gz LEDGVDYJHNCDSL-GFCCVEGCSA-N 1 2 295.335 1.547 20 10 CDCDLO COC(=O)[C@H]1CCC[N@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141026312 936794437 /nfs/dbraw/zinc/79/44/37/936794437.db2.gz LEDGVDYJHNCDSL-GFCCVEGCSA-N 1 2 295.335 1.547 20 10 CDCDLO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001141157026 936821239 /nfs/dbraw/zinc/82/12/39/936821239.db2.gz ASJODVMVFGXFNT-ABAIWWIYSA-N 1 2 277.320 1.625 20 10 CDCDLO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cc(O)ccc1O ZINC001141157026 936821240 /nfs/dbraw/zinc/82/12/40/936821240.db2.gz ASJODVMVFGXFNT-ABAIWWIYSA-N 1 2 277.320 1.625 20 10 CDCDLO C[C@]1(CO)C[N@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1O ZINC001142508871 937024653 /nfs/dbraw/zinc/02/46/53/937024653.db2.gz OLULNTWXSYMYSA-ZIAGYGMSSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@]1(CO)C[N@@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1O ZINC001142508871 937024654 /nfs/dbraw/zinc/02/46/54/937024654.db2.gz OLULNTWXSYMYSA-ZIAGYGMSSA-N 1 2 287.306 1.236 20 10 CDCDLO CC[NH+]1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139684382 937416399 /nfs/dbraw/zinc/41/63/99/937416399.db2.gz IFBPLTMZBJXUDK-UHFFFAOYSA-N 1 2 256.296 1.808 20 10 CDCDLO CC(C)[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCO1 ZINC001203879877 939710777 /nfs/dbraw/zinc/71/07/77/939710777.db2.gz JLQHQONNFGXQNM-CQSZACIVSA-N 1 2 251.326 1.955 20 10 CDCDLO CC(C)[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCO1 ZINC001203879877 939710779 /nfs/dbraw/zinc/71/07/79/939710779.db2.gz JLQHQONNFGXQNM-CQSZACIVSA-N 1 2 251.326 1.955 20 10 CDCDLO Oc1ccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cc1O ZINC001203882922 939711636 /nfs/dbraw/zinc/71/16/36/939711636.db2.gz XLNXBFBBCMCPDD-NSHDSACASA-N 1 2 266.316 1.326 20 10 CDCDLO Oc1ccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cc1O ZINC001203882922 939711638 /nfs/dbraw/zinc/71/16/38/939711638.db2.gz XLNXBFBBCMCPDD-NSHDSACASA-N 1 2 266.316 1.326 20 10 CDCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC(=O)N1 ZINC001204324625 939755550 /nfs/dbraw/zinc/75/55/50/939755550.db2.gz NVFHZAVNQUWJIJ-ZDUSSCGKSA-N 1 2 273.380 1.607 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC(=O)N1 ZINC001204324625 939755552 /nfs/dbraw/zinc/75/55/52/939755552.db2.gz NVFHZAVNQUWJIJ-ZDUSSCGKSA-N 1 2 273.380 1.607 20 10 CDCDLO COc1cc(C[N@@H+]2CCOC[C@H]2C(C)C)cc(O)c1O ZINC001204346769 939759197 /nfs/dbraw/zinc/75/91/97/939759197.db2.gz YZQVGCBQTBZUBR-LBPRGKRZSA-N 1 2 281.352 1.963 20 10 CDCDLO COc1cc(C[N@H+]2CCOC[C@H]2C(C)C)cc(O)c1O ZINC001204346769 939759199 /nfs/dbraw/zinc/75/91/99/939759199.db2.gz YZQVGCBQTBZUBR-LBPRGKRZSA-N 1 2 281.352 1.963 20 10 CDCDLO C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@H]21 ZINC001231454282 942898651 /nfs/dbraw/zinc/89/86/51/942898651.db2.gz PKKYFEHSPRLIAD-GXTWGEPZSA-N 1 2 290.363 1.616 20 10 CDCDLO C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@H]21 ZINC001231454282 942898658 /nfs/dbraw/zinc/89/86/58/942898658.db2.gz PKKYFEHSPRLIAD-GXTWGEPZSA-N 1 2 290.363 1.616 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1cc(OC)c(O)cc1O)C1CC1 ZINC001231638935 942954815 /nfs/dbraw/zinc/95/48/15/942954815.db2.gz IJVZLGMXVACURS-UHFFFAOYSA-N 1 2 295.335 1.634 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1cc(OC)c(O)cc1O)C1CC1 ZINC001231638935 942954819 /nfs/dbraw/zinc/95/48/19/942954819.db2.gz IJVZLGMXVACURS-UHFFFAOYSA-N 1 2 295.335 1.634 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1O ZINC001231910947 943052374 /nfs/dbraw/zinc/05/23/74/943052374.db2.gz WSSYRXTZDHFMCT-JQWIXIFHSA-N 1 2 271.744 1.221 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1O ZINC001231910947 943052383 /nfs/dbraw/zinc/05/23/83/943052383.db2.gz WSSYRXTZDHFMCT-JQWIXIFHSA-N 1 2 271.744 1.221 20 10 CDCDLO COC[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCO1 ZINC001232262395 943194905 /nfs/dbraw/zinc/19/49/05/943194905.db2.gz FWZGOQBEUAXCPC-JTQLQIEISA-N 1 2 287.743 1.598 20 10 CDCDLO COC[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCO1 ZINC001232262395 943194909 /nfs/dbraw/zinc/19/49/09/943194909.db2.gz FWZGOQBEUAXCPC-JTQLQIEISA-N 1 2 287.743 1.598 20 10 CDCDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C[C@H]1O ZINC001233074740 943485515 /nfs/dbraw/zinc/48/55/15/943485515.db2.gz VMVXUOPKNULJHK-LDYMZIIASA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001308270152 956505798 /nfs/dbraw/zinc/50/57/98/956505798.db2.gz TVGZIPOSTKWJOS-SSDOTTSWSA-N 1 2 295.763 1.707 20 10 CDCDLO COC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001605129765 1163460787 /nfs/dbraw/zinc/46/07/87/1163460787.db2.gz VHWRUXDEOORLQI-DTWKUNHWSA-N 1 2 277.328 1.258 20 10 CDCDLO CN(C)c1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC000188458256 357899675 /nfs/dbraw/zinc/89/96/75/357899675.db2.gz UGUBRQQECQMGOE-UHFFFAOYSA-N 1 2 286.379 1.735 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(F)c(F)c1O ZINC000191198273 358119343 /nfs/dbraw/zinc/11/93/43/358119343.db2.gz JMBXHSXEBFYKIB-LDYMZIIASA-N 1 2 284.306 1.990 20 10 CDCDLO O=C1NC[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCN12 ZINC000124611509 360981734 /nfs/dbraw/zinc/98/17/34/360981734.db2.gz DWROKRRBZAZFDD-SNVBAGLBSA-N 1 2 281.743 1.255 20 10 CDCDLO O=C1NC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCN12 ZINC000124611509 360981739 /nfs/dbraw/zinc/98/17/39/360981739.db2.gz DWROKRRBZAZFDD-SNVBAGLBSA-N 1 2 281.743 1.255 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@]13CCOC3)OCO2 ZINC000282445786 367889586 /nfs/dbraw/zinc/88/95/86/367889586.db2.gz UTMHNZASHAJPQO-HNNXBMFYSA-N 1 2 293.319 1.112 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@@]13CCOC3)OCO2 ZINC000282445786 367889592 /nfs/dbraw/zinc/88/95/92/367889592.db2.gz UTMHNZASHAJPQO-HNNXBMFYSA-N 1 2 293.319 1.112 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1COCCN1 ZINC000530181290 368146693 /nfs/dbraw/zinc/14/66/93/368146693.db2.gz LHMTUPBRQKSYEJ-JTQLQIEISA-N 1 2 256.733 1.124 20 10 CDCDLO CN(C)[C@@H](C(=O)NCc1ccccc1O)c1c[nH+]cn1C ZINC000283566443 368324139 /nfs/dbraw/zinc/32/41/39/368324139.db2.gz WBZHWDPKWTULIY-CQSZACIVSA-N 1 2 288.351 1.045 20 10 CDCDLO COC(=O)[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000493188669 253393636 /nfs/dbraw/zinc/39/36/36/253393636.db2.gz MFOSZULPTIELTC-FMFIFOJESA-N 1 2 297.314 1.726 20 10 CDCDLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000195008065 296575379 /nfs/dbraw/zinc/57/53/79/296575379.db2.gz KZXROHMHBBWUGF-KCJUWKMLSA-N 1 2 268.744 1.660 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1 ZINC000271832601 295166214 /nfs/dbraw/zinc/16/62/14/295166214.db2.gz PEACBPYFQVZLNT-ADWYPQAOSA-N 1 2 283.393 1.742 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1 ZINC000271832601 295166216 /nfs/dbraw/zinc/16/62/16/295166216.db2.gz PEACBPYFQVZLNT-ADWYPQAOSA-N 1 2 283.393 1.742 20 10 CDCDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000377834984 329031144 /nfs/dbraw/zinc/03/11/44/329031144.db2.gz PUGIEAKBHIQMHU-LLVKDONJSA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1O ZINC000377834984 329031146 /nfs/dbraw/zinc/03/11/46/329031146.db2.gz PUGIEAKBHIQMHU-LLVKDONJSA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000188783142 329372105 /nfs/dbraw/zinc/37/21/05/329372105.db2.gz YEKGVQVSGXHVRO-CHWSQXEVSA-N 1 2 299.754 1.544 20 10 CDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000188783142 329372106 /nfs/dbraw/zinc/37/21/06/329372106.db2.gz YEKGVQVSGXHVRO-CHWSQXEVSA-N 1 2 299.754 1.544 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000278763997 523378138 /nfs/dbraw/zinc/37/81/38/523378138.db2.gz GFAFSKXVBWGTDV-UHFFFAOYSA-N 1 2 292.379 1.461 20 10 CDCDLO Cn1cnnc1C[NH2+]Cc1c(O)cccc1Cl ZINC000083551863 527523916 /nfs/dbraw/zinc/52/39/16/527523916.db2.gz GJEZCZQKOIGGKO-UHFFFAOYSA-N 1 2 252.705 1.464 20 10 CDCDLO COc1c(O)c(C[NH2+]Cc2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000774952471 575254960 /nfs/dbraw/zinc/25/49/60/575254960.db2.gz URRGXDBNGUFTIP-UHFFFAOYSA-N 1 2 278.268 1.322 20 10 CDCDLO C[N@H+](Cc1ccon1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768448984 576284799 /nfs/dbraw/zinc/28/47/99/576284799.db2.gz YXJLYOIQJUFQJZ-CYBMUJFWSA-N 1 2 276.292 1.438 20 10 CDCDLO C[N@@H+](Cc1ccon1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768448984 576284802 /nfs/dbraw/zinc/28/48/02/576284802.db2.gz YXJLYOIQJUFQJZ-CYBMUJFWSA-N 1 2 276.292 1.438 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+]2CCCNC(=O)C2)cc1F ZINC000769115155 576331635 /nfs/dbraw/zinc/33/16/35/576331635.db2.gz OZCFDQHCKZAEML-UHFFFAOYSA-N 1 2 293.386 1.994 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+]2CCCNC(=O)C2)cc1F ZINC000769115155 576331637 /nfs/dbraw/zinc/33/16/37/576331637.db2.gz OZCFDQHCKZAEML-UHFFFAOYSA-N 1 2 293.386 1.994 20 10 CDCDLO COc1cccc(O)c1C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000769416631 576352744 /nfs/dbraw/zinc/35/27/44/576352744.db2.gz JYMPIAIOLJPDAM-JTQLQIEISA-N 1 2 287.381 1.266 20 10 CDCDLO COc1cccc(O)c1C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000769416631 576352745 /nfs/dbraw/zinc/35/27/45/576352745.db2.gz JYMPIAIOLJPDAM-JTQLQIEISA-N 1 2 287.381 1.266 20 10 CDCDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(O)c1O ZINC000758560749 577117569 /nfs/dbraw/zinc/11/75/69/577117569.db2.gz WKBDWDYYHOMJRS-PHIMTYICSA-N 1 2 293.319 1.118 20 10 CDCDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(O)c1O ZINC000758560749 577117570 /nfs/dbraw/zinc/11/75/70/577117570.db2.gz WKBDWDYYHOMJRS-PHIMTYICSA-N 1 2 293.319 1.118 20 10 CDCDLO CS(=O)(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000162832209 617869272 /nfs/dbraw/zinc/86/92/72/617869272.db2.gz OLJSSCBASUJIHZ-UHFFFAOYSA-N 1 2 263.746 1.180 20 10 CDCDLO COc1c([O-])c(C[NH2+]CC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000895293168 619525418 /nfs/dbraw/zinc/52/54/18/619525418.db2.gz GMGSJGNHNFROHE-SNVBAGLBSA-N 1 2 297.355 1.739 20 10 CDCDLO COc1ccc(O)c([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000901127894 623883636 /nfs/dbraw/zinc/88/36/36/623883636.db2.gz OZECBQBZAVDPMV-SECBINFHSA-N 1 2 275.308 1.544 20 10 CDCDLO CS(=O)(=O)CC[N@H+](Cc1ccc(N)cc1)C1CC1 ZINC000037744027 1165787736 /nfs/dbraw/zinc/78/77/36/1165787736.db2.gz OLPCLXLPPZPYIB-UHFFFAOYSA-N 1 2 268.382 1.278 20 10 CDCDLO CS(=O)(=O)CC[N@@H+](Cc1ccc(N)cc1)C1CC1 ZINC000037744027 1165787742 /nfs/dbraw/zinc/78/77/42/1165787742.db2.gz OLPCLXLPPZPYIB-UHFFFAOYSA-N 1 2 268.382 1.278 20 10 CDCDLO CCOCCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590810725 1173516901 /nfs/dbraw/zinc/51/69/01/1173516901.db2.gz SZQJJVVNHZULFM-JTQLQIEISA-N 1 2 291.355 1.650 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000160305346 1178390948 /nfs/dbraw/zinc/39/09/48/1178390948.db2.gz YLAJXQDCLYEGEM-JTQLQIEISA-N 1 2 299.168 1.604 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000160305346 1178390951 /nfs/dbraw/zinc/39/09/51/1178390951.db2.gz YLAJXQDCLYEGEM-JTQLQIEISA-N 1 2 299.168 1.604 20 10 CDCDLO COC(=O)N(C)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000827370507 782298952 /nfs/dbraw/zinc/29/89/52/782298952.db2.gz FSUVWTXSPOKWIT-UHFFFAOYSA-N 1 2 290.722 1.973 20 10 CDCDLO Cn1nncc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000808436407 782473555 /nfs/dbraw/zinc/47/35/55/782473555.db2.gz FOQLMUUTVQLZIG-UHFFFAOYSA-N 1 2 270.695 1.603 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](C)O ZINC000823576039 781582390 /nfs/dbraw/zinc/58/23/90/781582390.db2.gz HDPVQBOXZKLHMB-LLVKDONJSA-N 1 2 267.325 1.138 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](C)O ZINC000823576039 781582395 /nfs/dbraw/zinc/58/23/95/781582395.db2.gz HDPVQBOXZKLHMB-LLVKDONJSA-N 1 2 267.325 1.138 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237806293 917630303 /nfs/dbraw/zinc/63/03/03/917630303.db2.gz SWXZWEJMWMNYOM-LLVKDONJSA-N 1 2 286.734 1.895 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237806293 917630312 /nfs/dbraw/zinc/63/03/12/917630312.db2.gz SWXZWEJMWMNYOM-LLVKDONJSA-N 1 2 286.734 1.895 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+](C)Cc2cn(C)nn2)c1 ZINC000827305498 936586012 /nfs/dbraw/zinc/58/60/12/936586012.db2.gz TWGCEBYSIACPNM-UHFFFAOYSA-N 1 2 276.340 1.551 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2cn(C)nn2)c1 ZINC000827305498 936586013 /nfs/dbraw/zinc/58/60/13/936586013.db2.gz TWGCEBYSIACPNM-UHFFFAOYSA-N 1 2 276.340 1.551 20 10 CDCDLO C[N@H+](CCN1CCOCC1)Cc1c(O)cc(F)cc1F ZINC001140583188 936727730 /nfs/dbraw/zinc/72/77/30/936727730.db2.gz YKPWDWTUKGORHU-UHFFFAOYSA-N 1 2 286.322 1.434 20 10 CDCDLO C[N@@H+](CCN1CCOCC1)Cc1c(O)cc(F)cc1F ZINC001140583188 936727731 /nfs/dbraw/zinc/72/77/31/936727731.db2.gz YKPWDWTUKGORHU-UHFFFAOYSA-N 1 2 286.322 1.434 20 10 CDCDLO COc1cc(O)c(CN2CCn3c[nH+]cc3C2)c(OC)c1 ZINC001141029204 936794821 /nfs/dbraw/zinc/79/48/21/936794821.db2.gz LYNXSNYYIOAMRG-UHFFFAOYSA-N 1 2 289.335 1.622 20 10 CDCDLO CC(C)NC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000708414761 923187943 /nfs/dbraw/zinc/18/79/43/923187943.db2.gz SGTWNERMIAYNJG-UHFFFAOYSA-N 1 2 272.295 1.627 20 10 CDCDLO CC(C)NC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000708414761 923187953 /nfs/dbraw/zinc/18/79/53/923187953.db2.gz SGTWNERMIAYNJG-UHFFFAOYSA-N 1 2 272.295 1.627 20 10 CDCDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000708433100 923193606 /nfs/dbraw/zinc/19/36/06/923193606.db2.gz GZIJATDJDCZYCJ-LBPRGKRZSA-N 1 2 284.306 1.771 20 10 CDCDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000708433100 923193615 /nfs/dbraw/zinc/19/36/15/923193615.db2.gz GZIJATDJDCZYCJ-LBPRGKRZSA-N 1 2 284.306 1.771 20 10 CDCDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193605730 923834389 /nfs/dbraw/zinc/83/43/89/923834389.db2.gz IWLKUSKITCZCIP-DTWKUNHWSA-N 1 2 298.770 1.916 20 10 CDCDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193605730 923834399 /nfs/dbraw/zinc/83/43/99/923834399.db2.gz IWLKUSKITCZCIP-DTWKUNHWSA-N 1 2 298.770 1.916 20 10 CDCDLO NC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775637654 924472040 /nfs/dbraw/zinc/47/20/40/924472040.db2.gz UDOGNMKAQKICQY-SSDOTTSWSA-N 1 2 272.707 1.492 20 10 CDCDLO NC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775637654 924472044 /nfs/dbraw/zinc/47/20/44/924472044.db2.gz UDOGNMKAQKICQY-SSDOTTSWSA-N 1 2 272.707 1.492 20 10 CDCDLO Oc1cc(F)c(F)cc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC001142508563 937025064 /nfs/dbraw/zinc/02/50/64/937025064.db2.gz CVMVUXZWPOYNCK-LBPRGKRZSA-N 1 2 298.333 1.577 20 10 CDCDLO CC(=O)N1CCC([N@H+](C)Cc2cccc(F)c2O)CC1 ZINC001138128286 932459023 /nfs/dbraw/zinc/45/90/23/932459023.db2.gz AIEGXVBQJVNVGN-UHFFFAOYSA-N 1 2 280.343 1.974 20 10 CDCDLO CC(=O)N1CCC([N@@H+](C)Cc2cccc(F)c2O)CC1 ZINC001138128286 932459024 /nfs/dbraw/zinc/45/90/24/932459024.db2.gz AIEGXVBQJVNVGN-UHFFFAOYSA-N 1 2 280.343 1.974 20 10 CDCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ncccn1 ZINC000191895636 934587050 /nfs/dbraw/zinc/58/70/50/934587050.db2.gz LNQQILUGNWWLQX-UHFFFAOYSA-N 1 2 298.390 1.945 20 10 CDCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ncccn1 ZINC000191895636 934587055 /nfs/dbraw/zinc/58/70/55/934587055.db2.gz LNQQILUGNWWLQX-UHFFFAOYSA-N 1 2 298.390 1.945 20 10 CDCDLO O=C1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]2CCCN12 ZINC001203664030 939700543 /nfs/dbraw/zinc/70/05/43/939700543.db2.gz MKWWLUURYVHRAE-LBPRGKRZSA-N 1 2 280.755 1.852 20 10 CDCDLO O=C1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]2CCCN12 ZINC001203664030 939700544 /nfs/dbraw/zinc/70/05/44/939700544.db2.gz MKWWLUURYVHRAE-LBPRGKRZSA-N 1 2 280.755 1.852 20 10 CDCDLO OC[C@H]1C[C@H](F)C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874913 939710370 /nfs/dbraw/zinc/71/03/70/939710370.db2.gz FAPVMBNTWOCSMV-QWRGUYRKSA-N 1 2 255.289 1.250 20 10 CDCDLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874913 939710371 /nfs/dbraw/zinc/71/03/71/939710371.db2.gz FAPVMBNTWOCSMV-QWRGUYRKSA-N 1 2 255.289 1.250 20 10 CDCDLO COc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc(O)c1O ZINC001204347515 939759369 /nfs/dbraw/zinc/75/93/69/939759369.db2.gz VCUSFBDMFVDFBE-GARJFASQSA-N 1 2 267.300 1.896 20 10 CDCDLO COc1cc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc(O)c1O ZINC001204347515 939759371 /nfs/dbraw/zinc/75/93/71/939759371.db2.gz VCUSFBDMFVDFBE-GARJFASQSA-N 1 2 267.300 1.896 20 10 CDCDLO CN1CCOc2cc(CN3CC[NH2+]CC(F)(F)C3)ccc21 ZINC001211341847 940748008 /nfs/dbraw/zinc/74/80/08/940748008.db2.gz NNMREBGHGAVKQP-UHFFFAOYSA-N 1 2 297.349 1.556 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC000316455111 941486619 /nfs/dbraw/zinc/48/66/19/941486619.db2.gz OTAWPCURNPWMGP-GWCFXTLKSA-N 1 2 299.754 1.033 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC000316455111 941486620 /nfs/dbraw/zinc/48/66/20/941486620.db2.gz OTAWPCURNPWMGP-GWCFXTLKSA-N 1 2 299.754 1.033 20 10 CDCDLO CN(Cc1ccc(F)c(F)c1O)C[C@@H]1CCC[NH2+]1 ZINC001236121928 944409059 /nfs/dbraw/zinc/40/90/59/944409059.db2.gz HDKJJUATBIDUIK-JTQLQIEISA-N 1 2 256.296 1.854 20 10 CDCDLO [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001236247775 944437177 /nfs/dbraw/zinc/43/71/77/944437177.db2.gz YZYKQCNPXCAEKW-LLVKDONJSA-N 1 2 250.298 1.014 20 10 CDCDLO [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001236247775 944437184 /nfs/dbraw/zinc/43/71/84/944437184.db2.gz YZYKQCNPXCAEKW-LLVKDONJSA-N 1 2 250.298 1.014 20 10 CDCDLO COC(=O)N[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308936857 956598675 /nfs/dbraw/zinc/59/86/75/956598675.db2.gz ICFCIXNMSFSGTR-VIFPVBQESA-N 1 2 286.278 1.601 20 10 CDCDLO COC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308936857 956598700 /nfs/dbraw/zinc/59/87/00/956598700.db2.gz ICFCIXNMSFSGTR-VIFPVBQESA-N 1 2 286.278 1.601 20 10 CDCDLO O=C1NCC2(CC[NH+](Cc3cc(F)cc(F)c3O)CC2)O1 ZINC001333733708 958552395 /nfs/dbraw/zinc/55/23/95/958552395.db2.gz WXGWVEMOXLIWNS-UHFFFAOYSA-N 1 2 298.289 1.745 20 10 CDCDLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000848561434 969174151 /nfs/dbraw/zinc/17/41/51/969174151.db2.gz WCYUTOJVDYHTSJ-LLVKDONJSA-N 1 2 287.367 1.911 20 10 CDCDLO COC(=O)C[N@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000271078361 364910313 /nfs/dbraw/zinc/91/03/13/364910313.db2.gz HSPKGSQKDRRIDM-UHFFFAOYSA-N 1 2 295.335 1.547 20 10 CDCDLO COC(=O)C[N@@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000271078361 364910316 /nfs/dbraw/zinc/91/03/16/364910316.db2.gz HSPKGSQKDRRIDM-UHFFFAOYSA-N 1 2 295.335 1.547 20 10 CDCDLO CN1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2O)C1=O ZINC000271759095 364996071 /nfs/dbraw/zinc/99/60/71/364996071.db2.gz DIRCTZYHJVUSMD-LLVKDONJSA-N 1 2 268.744 1.708 20 10 CDCDLO CN1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2O)C1=O ZINC000271759095 364996076 /nfs/dbraw/zinc/99/60/76/364996076.db2.gz DIRCTZYHJVUSMD-LLVKDONJSA-N 1 2 268.744 1.708 20 10 CDCDLO COC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000049956581 284262718 /nfs/dbraw/zinc/26/27/18/284262718.db2.gz YZKPUBQFZJDUNP-LBPRGKRZSA-N 1 2 278.352 1.379 20 10 CDCDLO CC(=O)NC1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000297410682 371988480 /nfs/dbraw/zinc/98/84/80/371988480.db2.gz LJHRPERUEVKJHY-UHFFFAOYSA-N 1 2 254.717 1.366 20 10 CDCDLO C[C@@H]([NH2+]C1CC=CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589953540 1173209828 /nfs/dbraw/zinc/20/98/28/1173209828.db2.gz DBWMIKCGCWRNGD-SECBINFHSA-N 1 2 271.324 1.942 20 10 CDCDLO O=C(NCc1c[nH+]c2n1CCCC2)c1cccc(O)c1O ZINC000377142879 268050721 /nfs/dbraw/zinc/05/07/21/268050721.db2.gz VNBDOQOJQSGFSF-UHFFFAOYSA-N 1 2 287.319 1.561 20 10 CDCDLO Cc1[nH]c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c[nH+]1 ZINC000274230884 328210034 /nfs/dbraw/zinc/21/00/34/328210034.db2.gz RYVPARXGUFHCCX-MRVPVSSYSA-N 1 2 275.308 1.490 20 10 CDCDLO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000276885450 328219793 /nfs/dbraw/zinc/21/97/93/328219793.db2.gz GQENYVDEKDBZGY-QPUJVOFHSA-N 1 2 297.305 1.788 20 10 CDCDLO CCOC(=O)[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000049369211 521208278 /nfs/dbraw/zinc/20/82/78/521208278.db2.gz BZRZXTWKICUQEO-VIFPVBQESA-N 1 2 253.298 1.442 20 10 CDCDLO COc1cc(Cl)cc(C[NH2+][C@@]2(C)CCOC2=O)c1O ZINC000290857962 522540733 /nfs/dbraw/zinc/54/07/33/522540733.db2.gz JMLCOXNTGYTSTR-ZDUSSCGKSA-N 1 2 285.727 1.849 20 10 CDCDLO Cc1cc(NC(=O)NCc2ccccc2O)cc[nH+]1 ZINC000767893166 576236242 /nfs/dbraw/zinc/23/62/42/576236242.db2.gz FXKJBOBGTNKTGR-UHFFFAOYSA-N 1 2 257.293 1.839 20 10 CDCDLO COc1cccc(O)c1C[N@H+](C)CC(=O)NC1CC1 ZINC000768204438 576264465 /nfs/dbraw/zinc/26/44/65/576264465.db2.gz YSBFJVHWYSAWJU-UHFFFAOYSA-N 1 2 264.325 1.111 20 10 CDCDLO COc1cccc(O)c1C[N@@H+](C)CC(=O)NC1CC1 ZINC000768204438 576264468 /nfs/dbraw/zinc/26/44/68/576264468.db2.gz YSBFJVHWYSAWJU-UHFFFAOYSA-N 1 2 264.325 1.111 20 10 CDCDLO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(F)cc(F)c1O ZINC000756781431 577004307 /nfs/dbraw/zinc/00/43/07/577004307.db2.gz FEFDPMGAPCZCMY-ZETCQYMHSA-N 1 2 272.295 1.833 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CCO[C@H](OC)C2)c1O ZINC000895963918 619924871 /nfs/dbraw/zinc/92/48/71/619924871.db2.gz SBZKVYOHVLTDON-ZDUSSCGKSA-N 1 2 267.325 1.514 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CCO[C@H](OC)C2)c1O ZINC000895963918 619924877 /nfs/dbraw/zinc/92/48/77/619924877.db2.gz SBZKVYOHVLTDON-ZDUSSCGKSA-N 1 2 267.325 1.514 20 10 CDCDLO Cc1cc(N(C)C)ccc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900731211 623426542 /nfs/dbraw/zinc/42/65/42/623426542.db2.gz DQIIJCCJFMXZKP-UHFFFAOYSA-N 1 2 272.352 1.643 20 10 CDCDLO O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000910945020 629125638 /nfs/dbraw/zinc/12/56/38/629125638.db2.gz SLRAELPBLBLHRH-LLVKDONJSA-N 1 2 287.319 1.173 20 10 CDCDLO CNC(=O)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000323066257 909044401 /nfs/dbraw/zinc/04/44/01/909044401.db2.gz VGMFKIWEDLIGNX-MRVPVSSYSA-N 1 2 256.733 1.660 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000228356316 911889576 /nfs/dbraw/zinc/88/95/76/911889576.db2.gz RAZDHUFKNFCEHG-LLVKDONJSA-N 1 2 268.744 1.756 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1F ZINC001137831930 936416660 /nfs/dbraw/zinc/41/66/60/936416660.db2.gz SQJJLQMFLDJZAC-NSHDSACASA-N 1 2 253.273 1.669 20 10 CDCDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1F ZINC001137831930 936416662 /nfs/dbraw/zinc/41/66/62/936416662.db2.gz SQJJLQMFLDJZAC-NSHDSACASA-N 1 2 253.273 1.669 20 10 CDCDLO C[C@@H]1CN(C2C[NH+](Cc3c(O)cccc3F)C2)C[C@@H](C)O1 ZINC001137841444 936420035 /nfs/dbraw/zinc/42/00/35/936420035.db2.gz FDFKGWLZPRTNPB-VXGBXAGGSA-N 1 2 294.370 1.825 20 10 CDCDLO O=C(CCc1ccc(O)c(O)c1)NCCn1cc[nH+]c1 ZINC001182153818 917690039 /nfs/dbraw/zinc/69/00/39/917690039.db2.gz LNFNJFCPISGLJV-UHFFFAOYSA-N 1 2 275.308 1.043 20 10 CDCDLO O=C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138495065 936543188 /nfs/dbraw/zinc/54/31/88/936543188.db2.gz FFWSGUVQAHMECH-UHFFFAOYSA-N 1 2 274.364 1.688 20 10 CDCDLO Oc1ccc(F)cc1C[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001140055372 936674423 /nfs/dbraw/zinc/67/44/23/936674423.db2.gz TWCBCEFUNGNMNX-LBPRGKRZSA-N 1 2 268.307 1.759 20 10 CDCDLO CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCNC1=O ZINC000862354203 929401640 /nfs/dbraw/zinc/40/16/40/929401640.db2.gz ONPXHQTYHNXCPU-CYBMUJFWSA-N 1 2 297.349 1.741 20 10 CDCDLO CC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCNC1=O ZINC000862354203 929401646 /nfs/dbraw/zinc/40/16/46/929401646.db2.gz ONPXHQTYHNXCPU-CYBMUJFWSA-N 1 2 297.349 1.741 20 10 CDCDLO COCCN1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000882989269 930117479 /nfs/dbraw/zinc/11/74/79/930117479.db2.gz IYLPFQDBRXLZLA-GFCCVEGCSA-N 1 2 286.322 1.481 20 10 CDCDLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1c(O)cccc1F ZINC000886549781 930905299 /nfs/dbraw/zinc/90/52/99/930905299.db2.gz NJZJVKAKXCEGJO-QMMMGPOBSA-N 1 2 277.303 1.704 20 10 CDCDLO Oc1ccc(F)cc1C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000139745398 931008064 /nfs/dbraw/zinc/00/80/64/931008064.db2.gz OXZUTWPIUXUTEE-OAHLLOKOSA-N 1 2 294.370 1.828 20 10 CDCDLO Cc1c[nH]c(CCNC(=O)c2cccc(O)c2O)[nH+]1 ZINC001148220228 932672582 /nfs/dbraw/zinc/67/25/82/932672582.db2.gz ZVBOSFCCNILTMN-UHFFFAOYSA-N 1 2 261.281 1.102 20 10 CDCDLO CCOc1ccc(N2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC001119690456 937747827 /nfs/dbraw/zinc/74/78/27/937747827.db2.gz ONORWLRPBLCQAF-UHFFFAOYSA-N 1 2 279.340 1.484 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1O ZINC001203627742 939697942 /nfs/dbraw/zinc/69/79/42/939697942.db2.gz MSZDNPNIJXMUBO-SECBINFHSA-N 1 2 253.298 1.394 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1O ZINC001203627742 939697943 /nfs/dbraw/zinc/69/79/43/939697943.db2.gz MSZDNPNIJXMUBO-SECBINFHSA-N 1 2 253.298 1.394 20 10 CDCDLO C[C@H]1CC[C@H](CN)[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829994 939942349 /nfs/dbraw/zinc/94/23/49/939942349.db2.gz QLFGAQCTYPFWAY-VHSXEESVSA-N 1 2 266.341 1.363 20 10 CDCDLO C[C@H]1CC[C@H](CN)[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205829994 939942351 /nfs/dbraw/zinc/94/23/51/939942351.db2.gz QLFGAQCTYPFWAY-VHSXEESVSA-N 1 2 266.341 1.363 20 10 CDCDLO Cc1cccc(C[N@@H+]2CCN(c3ccccn3)C(=O)C2)c1O ZINC001231594424 942939000 /nfs/dbraw/zinc/93/90/00/942939000.db2.gz HLABCJVNKRBBSO-UHFFFAOYSA-N 1 2 297.358 1.944 20 10 CDCDLO Cc1cccc(C[N@H+]2CCN(c3ccccn3)C(=O)C2)c1O ZINC001231594424 942939003 /nfs/dbraw/zinc/93/90/03/942939003.db2.gz HLABCJVNKRBBSO-UHFFFAOYSA-N 1 2 297.358 1.944 20 10 CDCDLO C[NH+]1CC2(CN(Cc3cccc(Cl)c3O)C2)C1 ZINC001231913535 943051712 /nfs/dbraw/zinc/05/17/12/943051712.db2.gz LVLWLVQFIARGNC-UHFFFAOYSA-N 1 2 252.745 1.793 20 10 CDCDLO Oc1cc(O)c(C[NH+]2CC3(COC3)C2)cc1Cl ZINC001232260441 943192498 /nfs/dbraw/zinc/19/24/98/943192498.db2.gz QLWIVQBQPNJQSB-UHFFFAOYSA-N 1 2 255.701 1.583 20 10 CDCDLO Oc1c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)ccc(F)c1F ZINC001233074864 943485353 /nfs/dbraw/zinc/48/53/53/943485353.db2.gz YRIZLERXDLJHQX-WPRPVWTQSA-N 1 2 261.243 1.575 20 10 CDCDLO Oc1c(C[N@H+]2CC[C@H](F)[C@@H](O)C2)ccc(F)c1F ZINC001233074864 943485355 /nfs/dbraw/zinc/48/53/55/943485355.db2.gz YRIZLERXDLJHQX-WPRPVWTQSA-N 1 2 261.243 1.575 20 10 CDCDLO CC1(C)C[N@H+](Cc2cc(O)c(O)cc2O)CCC1=O ZINC001233485588 943593907 /nfs/dbraw/zinc/59/39/07/943593907.db2.gz BZWIYIRNIDXQKC-UHFFFAOYSA-N 1 2 265.309 1.604 20 10 CDCDLO CC1(C)C[N@@H+](Cc2cc(O)c(O)cc2O)CCC1=O ZINC001233485588 943593908 /nfs/dbraw/zinc/59/39/08/943593908.db2.gz BZWIYIRNIDXQKC-UHFFFAOYSA-N 1 2 265.309 1.604 20 10 CDCDLO CNC(=O)C[N@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237119349 944660268 /nfs/dbraw/zinc/66/02/68/944660268.db2.gz FQKZMYALCAYVFC-UHFFFAOYSA-N 1 2 292.257 1.469 20 10 CDCDLO CNC(=O)C[N@@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237119349 944660274 /nfs/dbraw/zinc/66/02/74/944660274.db2.gz FQKZMYALCAYVFC-UHFFFAOYSA-N 1 2 292.257 1.469 20 10 CDCDLO Cc1nnc(C[NH2+][C@H](C)c2c(O)cccc2F)n1C ZINC001333467852 958360015 /nfs/dbraw/zinc/36/00/15/958360015.db2.gz SYQTWEGPOXPDGQ-MRVPVSSYSA-N 1 2 264.304 1.819 20 10 CDCDLO CC(C)CN1CC[N@H+](Cc2ccccc2O)CC1=O ZINC000190098113 358052376 /nfs/dbraw/zinc/05/23/76/358052376.db2.gz OEWSEQUWEOIBQT-UHFFFAOYSA-N 1 2 262.353 1.692 20 10 CDCDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000271189376 364968552 /nfs/dbraw/zinc/96/85/52/364968552.db2.gz OKDDLEVSKCSCJS-LLVKDONJSA-N 1 2 293.319 1.648 20 10 CDCDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000271189376 364968555 /nfs/dbraw/zinc/96/85/55/364968555.db2.gz OKDDLEVSKCSCJS-LLVKDONJSA-N 1 2 293.319 1.648 20 10 CDCDLO Cc1[nH]c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c[nH+]1 ZINC000274230886 328209885 /nfs/dbraw/zinc/20/98/85/328209885.db2.gz RYVPARXGUFHCCX-QMMMGPOBSA-N 1 2 275.308 1.490 20 10 CDCDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000377836023 329031093 /nfs/dbraw/zinc/03/10/93/329031093.db2.gz YHHAKFZOBZIHSH-GFCCVEGCSA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000377836023 329031095 /nfs/dbraw/zinc/03/10/95/329031095.db2.gz YHHAKFZOBZIHSH-GFCCVEGCSA-N 1 2 299.754 1.810 20 10 CDCDLO CCN(CC)c1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000127407530 520891092 /nfs/dbraw/zinc/89/10/92/520891092.db2.gz SADOGRCTIXXBRC-UHFFFAOYSA-N 1 2 275.396 1.807 20 10 CDCDLO CCN(CC)c1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000127407530 520891099 /nfs/dbraw/zinc/89/10/99/520891099.db2.gz SADOGRCTIXXBRC-UHFFFAOYSA-N 1 2 275.396 1.807 20 10 CDCDLO COc1c(O)c(C[N@@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000278149280 521867854 /nfs/dbraw/zinc/86/78/54/521867854.db2.gz CAXKWDHWDPRTSF-UHFFFAOYSA-N 1 2 296.323 1.920 20 10 CDCDLO COc1c(O)c(C[N@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000278149280 521867859 /nfs/dbraw/zinc/86/78/59/521867859.db2.gz CAXKWDHWDPRTSF-UHFFFAOYSA-N 1 2 296.323 1.920 20 10 CDCDLO O=C(NCc1ccccc1O)c1ccc2[nH+]ccn2c1 ZINC000731808585 575064543 /nfs/dbraw/zinc/06/45/43/575064543.db2.gz BEZYILZJICSKNB-UHFFFAOYSA-N 1 2 267.288 1.970 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000935946266 617598511 /nfs/dbraw/zinc/59/85/11/617598511.db2.gz CXKZTZXEKRLKFZ-GFCCVEGCSA-N 1 2 297.395 1.978 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC000935946266 617598513 /nfs/dbraw/zinc/59/85/13/617598513.db2.gz CXKZTZXEKRLKFZ-GFCCVEGCSA-N 1 2 297.395 1.978 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CC[C@@H]1O ZINC000840975624 617969672 /nfs/dbraw/zinc/96/96/72/617969672.db2.gz PMCOQUXYTNTMIQ-CABZTGNLSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[C@@H]1O ZINC000840975624 617969682 /nfs/dbraw/zinc/96/96/82/617969682.db2.gz PMCOQUXYTNTMIQ-CABZTGNLSA-N 1 2 289.734 1.360 20 10 CDCDLO O=C(Cc1c[nH]c[nH+]1)NCc1c(O)ccc2c1CCCC2 ZINC000901132158 623891040 /nfs/dbraw/zinc/89/10/40/623891040.db2.gz RGFIMCOIOOYHKA-UHFFFAOYSA-N 1 2 285.347 1.853 20 10 CDCDLO Cc1ccc(C[N@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001272766287 1161337682 /nfs/dbraw/zinc/33/76/82/1161337682.db2.gz NPPANWDUTXTSMK-HUUCEWRRSA-N 1 2 296.317 1.405 20 10 CDCDLO Cc1ccc(C[N@@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001272766287 1161337684 /nfs/dbraw/zinc/33/76/84/1161337684.db2.gz NPPANWDUTXTSMK-HUUCEWRRSA-N 1 2 296.317 1.405 20 10 CDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000123668951 1165308581 /nfs/dbraw/zinc/30/85/81/1165308581.db2.gz GOYYCIZYDZTAKD-CYBMUJFWSA-N 1 2 292.379 1.517 20 10 CDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000123668951 1165308585 /nfs/dbraw/zinc/30/85/85/1165308585.db2.gz GOYYCIZYDZTAKD-CYBMUJFWSA-N 1 2 292.379 1.517 20 10 CDCDLO C[C@H]([NH2+][C@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978006 1173218100 /nfs/dbraw/zinc/21/81/00/1173218100.db2.gz DVBYDKQENFLRAE-UWVGGRQHSA-N 1 2 289.339 1.402 20 10 CDCDLO CN1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2O)C1=O ZINC000775710108 783770538 /nfs/dbraw/zinc/77/05/38/783770538.db2.gz IVBBNCDRRIEIFY-NSHDSACASA-N 1 2 286.734 1.847 20 10 CDCDLO CN1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(F)c2O)C1=O ZINC000775710108 783770532 /nfs/dbraw/zinc/77/05/32/783770532.db2.gz IVBBNCDRRIEIFY-NSHDSACASA-N 1 2 286.734 1.847 20 10 CDCDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000779018891 783817271 /nfs/dbraw/zinc/81/72/71/783817271.db2.gz IRHIJYKMCRNWAG-AWEZNQCLSA-N 1 2 293.363 1.935 20 10 CDCDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000779018891 783817278 /nfs/dbraw/zinc/81/72/78/783817278.db2.gz IRHIJYKMCRNWAG-AWEZNQCLSA-N 1 2 293.363 1.935 20 10 CDCDLO Oc1ccc(Cl)c(F)c1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841079737 784734469 /nfs/dbraw/zinc/73/44/69/784734469.db2.gz QWEUTNVTUBKNBW-YUMQZZPRSA-N 1 2 276.714 1.974 20 10 CDCDLO COc1cccc(CNC(=O)NCc2c[nH+]cn2C)c1O ZINC000292483545 784862658 /nfs/dbraw/zinc/86/26/58/784862658.db2.gz ZSBDHNVJIJEWDI-UHFFFAOYSA-N 1 2 290.323 1.134 20 10 CDCDLO C[N@@H+]1CCN(Cc2cc(Cl)c(F)cc2O)[C@@H](CO)C1 ZINC000877643204 785666203 /nfs/dbraw/zinc/66/62/03/785666203.db2.gz CIZREAOWCDSFFP-SNVBAGLBSA-N 1 2 288.750 1.293 20 10 CDCDLO C[N@H+]1CCN(Cc2cc(Cl)c(F)cc2O)[C@@H](CO)C1 ZINC000877643204 785666236 /nfs/dbraw/zinc/66/62/36/785666236.db2.gz CIZREAOWCDSFFP-SNVBAGLBSA-N 1 2 288.750 1.293 20 10 CDCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(C)no2)c1 ZINC000038034470 786076920 /nfs/dbraw/zinc/07/69/20/786076920.db2.gz JBTCSWVNLNMOGT-MRVPVSSYSA-N 1 2 263.297 1.943 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817940104 786490747 /nfs/dbraw/zinc/49/07/47/786490747.db2.gz FAVFDHZNFGVJTQ-NXEZZACHSA-N 1 2 265.313 1.703 20 10 CDCDLO CCOc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)c(O)c1 ZINC000780566306 786510679 /nfs/dbraw/zinc/51/06/79/786510679.db2.gz QZOHSKCCEHDEIJ-SNVBAGLBSA-N 1 2 276.340 1.770 20 10 CDCDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816612598 786835215 /nfs/dbraw/zinc/83/52/15/786835215.db2.gz UCNXGFLWHCCVKH-QMMMGPOBSA-N 1 2 286.734 1.895 20 10 CDCDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816612598 786835221 /nfs/dbraw/zinc/83/52/21/786835221.db2.gz UCNXGFLWHCCVKH-QMMMGPOBSA-N 1 2 286.734 1.895 20 10 CDCDLO CCn1ncc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)n1 ZINC000838916790 787169872 /nfs/dbraw/zinc/16/98/72/787169872.db2.gz AODQUTPICNXKKX-UHFFFAOYSA-N 1 2 277.347 1.793 20 10 CDCDLO CCn1ncc(C[NH2+][C@@H](C)c2c(O)cccc2F)n1 ZINC000886642058 787528066 /nfs/dbraw/zinc/52/80/66/787528066.db2.gz ZFGNOCLPBHWFAY-VIFPVBQESA-N 1 2 264.304 1.994 20 10 CDCDLO CC(=O)N(C)C1C[NH+](Cc2c(O)cccc2F)C1 ZINC001137837373 936419167 /nfs/dbraw/zinc/41/91/67/936419167.db2.gz DMINSEAVRNIEOW-UHFFFAOYSA-N 1 2 252.289 1.194 20 10 CDCDLO OC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775668944 924697167 /nfs/dbraw/zinc/69/71/67/924697167.db2.gz AWYXBAQKUHUCKP-MRVPVSSYSA-N 1 2 259.708 1.999 20 10 CDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000862552270 929425757 /nfs/dbraw/zinc/42/57/57/929425757.db2.gz UVYQYVBPHZAQHK-NSHDSACASA-N 1 2 288.750 1.341 20 10 CDCDLO NC(=O)COC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001116471900 937450687 /nfs/dbraw/zinc/45/06/87/937450687.db2.gz KXFVXQNPAOUDLQ-UHFFFAOYSA-N 1 2 298.770 1.512 20 10 CDCDLO c1cc(C[NH2+]Cc2nnc3n2CCOC3)cc2c1OCC2 ZINC001116766382 937470186 /nfs/dbraw/zinc/47/01/86/937470186.db2.gz MFPNBCHUJYQMFH-UHFFFAOYSA-N 1 2 286.335 1.033 20 10 CDCDLO CO[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1F ZINC001232259224 943191831 /nfs/dbraw/zinc/19/18/31/943191831.db2.gz HJIZXUVPPVRYQO-CABZTGNLSA-N 1 2 275.707 1.920 20 10 CDCDLO CO[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1F ZINC001232259224 943191837 /nfs/dbraw/zinc/19/18/37/943191837.db2.gz HJIZXUVPPVRYQO-CABZTGNLSA-N 1 2 275.707 1.920 20 10 CDCDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001233012830 943461489 /nfs/dbraw/zinc/46/14/89/943461489.db2.gz JJHRJFGDLJJWLK-AOOOYVTPSA-N 1 2 263.293 1.499 20 10 CDCDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001233012830 943461494 /nfs/dbraw/zinc/46/14/94/943461494.db2.gz JJHRJFGDLJJWLK-AOOOYVTPSA-N 1 2 263.293 1.499 20 10 CDCDLO Cn1c[nH+]c2c1CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233015866 943464931 /nfs/dbraw/zinc/46/49/31/943464931.db2.gz CFNGBKUQPASBGY-UHFFFAOYSA-N 1 2 275.308 1.095 20 10 CDCDLO COC(C[N@@H+](C)Cc1c(O)ccc(F)c1F)OC ZINC001233335386 943548402 /nfs/dbraw/zinc/54/84/02/943548402.db2.gz SOFIAMFKUHNOER-UHFFFAOYSA-N 1 2 261.268 1.721 20 10 CDCDLO Nc1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001263304022 943821848 /nfs/dbraw/zinc/82/18/48/943821848.db2.gz PXFCIGGCFOZAQQ-LBPRGKRZSA-N 1 2 270.336 1.344 20 10 CDCDLO Cn1c[nH+]cc1C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC001263330918 943834093 /nfs/dbraw/zinc/83/40/93/943834093.db2.gz ZUIKTWQVYFTQSS-UHFFFAOYSA-N 1 2 298.390 1.951 20 10 CDCDLO Cc1nnc(C[NH2+]Cc2c(O)cccc2Cl)n1C ZINC000393249047 944487560 /nfs/dbraw/zinc/48/75/60/944487560.db2.gz WXPRKGRLFLUIKP-UHFFFAOYSA-N 1 2 266.732 1.772 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CC(=O)NC[C@H]2C)c(O)c1 ZINC001237042817 944642579 /nfs/dbraw/zinc/64/25/79/944642579.db2.gz JODONERDKYFLFC-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1ccc(C[N@H+]2CC(=O)NC[C@H]2C)c(O)c1 ZINC001237042817 944642588 /nfs/dbraw/zinc/64/25/88/944642588.db2.gz JODONERDKYFLFC-SNVBAGLBSA-N 1 2 264.325 1.111 20 10 CDCDLO CN1CCC2(C[NH+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001237624452 944892196 /nfs/dbraw/zinc/89/21/96/944892196.db2.gz UINQRNFMXMCDIH-UHFFFAOYSA-N 1 2 298.745 1.849 20 10 CDCDLO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c(O)c(OC)c1 ZINC001237683833 944924290 /nfs/dbraw/zinc/92/42/90/944924290.db2.gz LDWHVUGAJKRLCB-VXGBXAGGSA-N 1 2 279.336 1.773 20 10 CDCDLO COc1cc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c(O)c(OC)c1 ZINC001237683833 944924300 /nfs/dbraw/zinc/92/43/00/944924300.db2.gz LDWHVUGAJKRLCB-VXGBXAGGSA-N 1 2 279.336 1.773 20 10 CDCDLO O=C(NCc1cccc(O)c1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001347541728 965579162 /nfs/dbraw/zinc/57/91/62/965579162.db2.gz HHKSLNQFARZWJT-SNVBAGLBSA-N 1 2 287.319 1.173 20 10 CDCDLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(F)ccc1O ZINC000180230799 357253707 /nfs/dbraw/zinc/25/37/07/357253707.db2.gz NFNYTJHFGWIRCE-UHFFFAOYSA-N 1 2 275.345 1.398 20 10 CDCDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(F)ccc1O ZINC000180230799 357253709 /nfs/dbraw/zinc/25/37/09/357253709.db2.gz NFNYTJHFGWIRCE-UHFFFAOYSA-N 1 2 275.345 1.398 20 10 CDCDLO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(F)c(F)c1O ZINC000187677101 299300348 /nfs/dbraw/zinc/30/03/48/299300348.db2.gz UWHCHRRWGHOPIH-ZETCQYMHSA-N 1 2 279.308 1.366 20 10 CDCDLO CCn1cnnc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273384088 365490987 /nfs/dbraw/zinc/49/09/87/365490987.db2.gz IZYNPYXFPMXOQM-VIFPVBQESA-N 1 2 291.311 1.763 20 10 CDCDLO C[C@@H]1COCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297979861 372043261 /nfs/dbraw/zinc/04/32/61/372043261.db2.gz WAWHIDGHAPAPGN-CYBMUJFWSA-N 1 2 291.395 1.090 20 10 CDCDLO C[C@@H]1COCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297979861 372043268 /nfs/dbraw/zinc/04/32/68/372043268.db2.gz WAWHIDGHAPAPGN-CYBMUJFWSA-N 1 2 291.395 1.090 20 10 CDCDLO CN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000493377068 375448519 /nfs/dbraw/zinc/44/85/19/375448519.db2.gz AGDCQNCNAKHUBL-VOTSOKGWSA-N 1 2 268.320 1.906 20 10 CDCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1COC[C@H]1O ZINC000295745565 378697258 /nfs/dbraw/zinc/69/72/58/378697258.db2.gz WWEXQWXQMNYWHK-NXEZZACHSA-N 1 2 278.135 1.548 20 10 CDCDLO CN(C)c1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000122570393 390903757 /nfs/dbraw/zinc/90/37/57/390903757.db2.gz MFVPQLKEYHDMIR-UHFFFAOYSA-N 1 2 270.398 1.229 20 10 CDCDLO CN(C)c1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000122570393 390903759 /nfs/dbraw/zinc/90/37/59/390903759.db2.gz MFVPQLKEYHDMIR-UHFFFAOYSA-N 1 2 270.398 1.229 20 10 CDCDLO CCC[N@H+](CC(=O)OC)Cc1cc(F)ccc1O ZINC000183248575 391257840 /nfs/dbraw/zinc/25/78/40/391257840.db2.gz RGGSEKGWOWJICM-UHFFFAOYSA-N 1 2 255.289 1.916 20 10 CDCDLO CCC[N@@H+](CC(=O)OC)Cc1cc(F)ccc1O ZINC000183248575 391257843 /nfs/dbraw/zinc/25/78/43/391257843.db2.gz RGGSEKGWOWJICM-UHFFFAOYSA-N 1 2 255.289 1.916 20 10 CDCDLO CCOC(=O)C[N@H+](CC)Cc1cccc(OC)c1O ZINC000092399623 784372724 /nfs/dbraw/zinc/37/27/24/784372724.db2.gz OOYXTTVLAGIHTR-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO CCOC(=O)C[N@@H+](CC)Cc1cccc(OC)c1O ZINC000092399623 784372728 /nfs/dbraw/zinc/37/27/28/784372728.db2.gz OOYXTTVLAGIHTR-UHFFFAOYSA-N 1 2 267.325 1.786 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1OC ZINC000368313844 267161686 /nfs/dbraw/zinc/16/16/86/267161686.db2.gz WZQBEQAYIVZPHZ-CMPLNLGQSA-N 1 2 265.309 1.383 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1OC ZINC000368313844 267161689 /nfs/dbraw/zinc/16/16/89/267161689.db2.gz WZQBEQAYIVZPHZ-CMPLNLGQSA-N 1 2 265.309 1.383 20 10 CDCDLO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cccc(Cl)c1O ZINC000228094339 525055930 /nfs/dbraw/zinc/05/59/30/525055930.db2.gz CKYGOYUEVKTCQZ-RNCFNFMXSA-N 1 2 271.744 1.675 20 10 CDCDLO Cc1[nH+]c[nH]c1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000278561289 525457749 /nfs/dbraw/zinc/45/77/49/525457749.db2.gz HTLKUQBARVCZQM-UHFFFAOYSA-N 1 2 286.379 1.985 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)NCc1[nH+]ccn1C ZINC000728753862 574644434 /nfs/dbraw/zinc/64/44/34/574644434.db2.gz YDWIFIUGELUWGR-UHFFFAOYSA-N 1 2 274.324 1.467 20 10 CDCDLO Oc1ccc2ccncc2c1C[N@@H+]1CCn2cnnc2C1 ZINC000732191397 575082860 /nfs/dbraw/zinc/08/28/60/575082860.db2.gz WOWCQQYPSYIJSL-UHFFFAOYSA-N 1 2 281.319 1.548 20 10 CDCDLO Oc1ccc2ccncc2c1C[N@H+]1CCn2cnnc2C1 ZINC000732191397 575082861 /nfs/dbraw/zinc/08/28/61/575082861.db2.gz WOWCQQYPSYIJSL-UHFFFAOYSA-N 1 2 281.319 1.548 20 10 CDCDLO C[C@H]([NH2+][C@H](CO)CC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000760041250 576453953 /nfs/dbraw/zinc/45/39/53/576453953.db2.gz XIETWLFTAWTHJL-YUMQZZPRSA-N 1 2 290.266 1.967 20 10 CDCDLO CC[N@H+](CC(=O)NC)Cc1cccc(Cl)c1O ZINC000124533527 1175332808 /nfs/dbraw/zinc/33/28/08/1175332808.db2.gz DZXZPNPHGCPUBO-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO CC[N@@H+](CC(=O)NC)Cc1cccc(Cl)c1O ZINC000124533527 1175332814 /nfs/dbraw/zinc/33/28/14/1175332814.db2.gz DZXZPNPHGCPUBO-UHFFFAOYSA-N 1 2 256.733 1.614 20 10 CDCDLO COc1ccc(C[N@H+](C)Cc2ncc[nH]2)c(O)c1OC ZINC000894088944 618373776 /nfs/dbraw/zinc/37/37/76/618373776.db2.gz CUEKRZAWUQDRFS-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO COc1ccc(C[N@@H+](C)Cc2ncc[nH]2)c(O)c1OC ZINC000894088944 618373786 /nfs/dbraw/zinc/37/37/86/618373786.db2.gz CUEKRZAWUQDRFS-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO COc1cc(O)c(C[NH2+]C(CF)CF)cc1OC ZINC000824554789 618580604 /nfs/dbraw/zinc/58/06/04/618580604.db2.gz LDZOTHBQPIXELR-UHFFFAOYSA-N 1 2 261.268 1.807 20 10 CDCDLO CN(C)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC000899983879 622598317 /nfs/dbraw/zinc/59/83/17/622598317.db2.gz UMVOMNDPIHJGNM-UHFFFAOYSA-N 1 2 258.325 1.335 20 10 CDCDLO CCOC(=O)/C(=C\c1c[nH+]cn1C)c1nccn1C ZINC000901466194 624282277 /nfs/dbraw/zinc/28/22/77/624282277.db2.gz YGJDXXPMHOGQRK-XFFZJAGNSA-N 1 2 260.297 1.257 20 10 CDCDLO CCOC(=O)/C(=C/c1c[nH+]cn1C)c1nccn1C ZINC000901466197 624282666 /nfs/dbraw/zinc/28/26/66/624282666.db2.gz YGJDXXPMHOGQRK-YRNVUSSQSA-N 1 2 260.297 1.257 20 10 CDCDLO Nc1ccc(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000911781881 629498734 /nfs/dbraw/zinc/49/87/34/629498734.db2.gz DBGVLMQCXLSRQE-CYBMUJFWSA-N 1 2 284.363 1.387 20 10 CDCDLO Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(O)c1O ZINC000779214731 790606460 /nfs/dbraw/zinc/60/64/60/790606460.db2.gz UFHBINYZGRJINV-SNVBAGLBSA-N 1 2 287.319 1.348 20 10 CDCDLO COCC[N@H+]1[C@H](C)CN(Cc2ccccc2O)C[C@@H]1C ZINC000179576601 790913507 /nfs/dbraw/zinc/91/35/07/790913507.db2.gz DAKWNHHIKSTFRS-OKILXGFUSA-N 1 2 278.396 1.933 20 10 CDCDLO COCC[N@@H+]1[C@H](C)CN(Cc2ccccc2O)C[C@@H]1C ZINC000179576601 790913513 /nfs/dbraw/zinc/91/35/13/790913513.db2.gz DAKWNHHIKSTFRS-OKILXGFUSA-N 1 2 278.396 1.933 20 10 CDCDLO CCNC(=O)C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816493942 791065453 /nfs/dbraw/zinc/06/54/53/791065453.db2.gz SLEQWXRYTFMBIZ-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO CCNC(=O)C[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816493942 791065458 /nfs/dbraw/zinc/06/54/58/791065458.db2.gz SLEQWXRYTFMBIZ-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO O=C1NCCC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000839196098 790099099 /nfs/dbraw/zinc/09/90/99/790099099.db2.gz QTMYBWYIRDBQCP-JTQLQIEISA-N 1 2 268.744 1.661 20 10 CDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708398579 791744995 /nfs/dbraw/zinc/74/49/95/791744995.db2.gz HOANMBFHSYVYKA-NSHDSACASA-N 1 2 270.279 1.381 20 10 CDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708398579 791745003 /nfs/dbraw/zinc/74/50/03/791745003.db2.gz HOANMBFHSYVYKA-NSHDSACASA-N 1 2 270.279 1.381 20 10 CDCDLO COCC[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000798940138 791828554 /nfs/dbraw/zinc/82/85/54/791828554.db2.gz AOCPCIOHNFBHBI-SCZZXKLOSA-N 1 2 275.295 1.718 20 10 CDCDLO OC[C@@]12C[C@@H]1C[N@H+](Cc1cccc(Cl)c1O)C2 ZINC000783739644 792311567 /nfs/dbraw/zinc/31/15/67/792311567.db2.gz GPEKJFDNPCWTKF-MFKMUULPSA-N 1 2 253.729 1.860 20 10 CDCDLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC000783739644 792311579 /nfs/dbraw/zinc/31/15/79/792311579.db2.gz GPEKJFDNPCWTKF-MFKMUULPSA-N 1 2 253.729 1.860 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC3(C2)CCCO3)cc1OC ZINC000862484602 792380895 /nfs/dbraw/zinc/38/08/95/792380895.db2.gz WIGAXPWMTPGVFI-UHFFFAOYSA-N 1 2 279.336 1.774 20 10 CDCDLO COc1cccc([C@@H](C)[NH2+]CC(F)(F)CO)c1O ZINC000846165138 793031971 /nfs/dbraw/zinc/03/19/71/793031971.db2.gz SSKHFYQKADAIQQ-MRVPVSSYSA-N 1 2 261.268 1.679 20 10 CDCDLO CN(C)c1ccc(C[N@H+](C)Cc2n[nH]c(=O)o2)cc1 ZINC000852188051 794480907 /nfs/dbraw/zinc/48/09/07/794480907.db2.gz FISTYZBNXBRNQK-UHFFFAOYSA-N 1 2 262.313 1.473 20 10 CDCDLO CN(C)c1ccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)cc1 ZINC000852188051 794480917 /nfs/dbraw/zinc/48/09/17/794480917.db2.gz FISTYZBNXBRNQK-UHFFFAOYSA-N 1 2 262.313 1.473 20 10 CDCDLO CC[NH2+]CCNCc1cccc(Br)c1O ZINC000841037778 794981374 /nfs/dbraw/zinc/98/13/74/794981374.db2.gz VPJMNOFHKBMGOR-UHFFFAOYSA-N 1 2 273.174 1.854 20 10 CDCDLO COc1cccc(O)c1C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000792193597 795364619 /nfs/dbraw/zinc/36/46/19/795364619.db2.gz ZBXCKUJQPYFLQS-GHMZBOCLSA-N 1 2 283.393 1.742 20 10 CDCDLO Cn1c[nH+]cc1CCOC(=O)C1=CC(=O)CS1 ZINC000837515389 795428536 /nfs/dbraw/zinc/42/85/36/795428536.db2.gz SFPOHGMNOOHRLB-UHFFFAOYSA-N 1 2 252.295 1.587 20 10 CDCDLO Nc1ccc(OCc2cn(CCCn3cc[nH+]c3)nn2)cc1 ZINC000881301386 795819793 /nfs/dbraw/zinc/81/97/93/795819793.db2.gz WISXEZMTNAQQQQ-UHFFFAOYSA-N 1 2 298.350 1.726 20 10 CDCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ncccn2)c1 ZINC000850553423 795878760 /nfs/dbraw/zinc/87/87/60/795878760.db2.gz YQKLOQXPTGERTF-SNVBAGLBSA-N 1 2 287.319 1.820 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)NCc2c[nH+]cn2C)c1 ZINC000858464677 796036140 /nfs/dbraw/zinc/03/61/40/796036140.db2.gz NJBAVZRXMVIXIP-UHFFFAOYSA-N 1 2 274.324 1.434 20 10 CDCDLO CC[C@@H]([NH2+]Cc1nnn(C)n1)c1cc(Cl)ccc1O ZINC000787042979 796416804 /nfs/dbraw/zinc/41/68/04/796416804.db2.gz QSWNPYSPJIDFST-SNVBAGLBSA-N 1 2 281.747 1.810 20 10 CDCDLO O=C(Cc1c[nH+]c[nH]1)N1CCc2cccc(O)c2C1 ZINC001176831019 914287266 /nfs/dbraw/zinc/28/72/66/914287266.db2.gz KJOBTFOFQRHAAQ-UHFFFAOYSA-N 1 2 257.293 1.243 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)c(OC)c1 ZINC001141032006 899342356 /nfs/dbraw/zinc/34/23/56/899342356.db2.gz PXNSNAWTBCKFBN-LSDHHAIUSA-N 1 2 299.342 1.704 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)c(OC)c1 ZINC001141032006 899342365 /nfs/dbraw/zinc/34/23/65/899342365.db2.gz PXNSNAWTBCKFBN-LSDHHAIUSA-N 1 2 299.342 1.704 20 10 CDCDLO Cn1c[nH+]c(CCNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC001179687516 915927873 /nfs/dbraw/zinc/92/78/73/915927873.db2.gz MKDGZQFQDJYWMV-HWKANZROSA-N 1 2 287.319 1.203 20 10 CDCDLO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3c(O)cccc3F)[C@H]2C1 ZINC001137832968 936418213 /nfs/dbraw/zinc/41/82/13/936418213.db2.gz OALDMTYMLIJFNS-XEGUGMAKSA-N 1 2 281.327 1.503 20 10 CDCDLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3c(O)cccc3F)[C@H]2C1 ZINC001137832968 936418216 /nfs/dbraw/zinc/41/82/16/936418216.db2.gz OALDMTYMLIJFNS-XEGUGMAKSA-N 1 2 281.327 1.503 20 10 CDCDLO CN1CCC[N@H+](Cc2c(O)cccc2F)CC1=O ZINC001137837465 936418716 /nfs/dbraw/zinc/41/87/16/936418716.db2.gz HWZVNBMKNYRIBQ-UHFFFAOYSA-N 1 2 252.289 1.195 20 10 CDCDLO CN1CCC[N@@H+](Cc2c(O)cccc2F)CC1=O ZINC001137837465 936418719 /nfs/dbraw/zinc/41/87/19/936418719.db2.gz HWZVNBMKNYRIBQ-UHFFFAOYSA-N 1 2 252.289 1.195 20 10 CDCDLO C[C@@H]1CN(Cc2c(F)ccc(F)c2O)CC[N@@H+]1C ZINC001139686446 936635044 /nfs/dbraw/zinc/63/50/44/936635044.db2.gz ZZQDCYAFNAEOSK-SECBINFHSA-N 1 2 256.296 1.806 20 10 CDCDLO C[C@@H]1CN(Cc2c(F)ccc(F)c2O)CC[N@H+]1C ZINC001139686446 936635046 /nfs/dbraw/zinc/63/50/46/936635046.db2.gz ZZQDCYAFNAEOSK-SECBINFHSA-N 1 2 256.296 1.806 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCN1C ZINC001140465640 936712214 /nfs/dbraw/zinc/71/22/14/936712214.db2.gz PBQWPTSJFDQGSU-GFCCVEGCSA-N 1 2 298.770 1.335 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCN1C ZINC001140465640 936712216 /nfs/dbraw/zinc/71/22/16/936712216.db2.gz PBQWPTSJFDQGSU-GFCCVEGCSA-N 1 2 298.770 1.335 20 10 CDCDLO Cc1c(O)ccc(C[N@@H+]2CCn3cncc3C2)c1O ZINC001140749336 936749652 /nfs/dbraw/zinc/74/96/52/936749652.db2.gz VZLVSWZHNAGGNV-UHFFFAOYSA-N 1 2 259.309 1.619 20 10 CDCDLO Cc1c(O)ccc(C[N@H+]2CCn3cncc3C2)c1O ZINC001140749336 936749654 /nfs/dbraw/zinc/74/96/54/936749654.db2.gz VZLVSWZHNAGGNV-UHFFFAOYSA-N 1 2 259.309 1.619 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508556 937025191 /nfs/dbraw/zinc/02/51/91/937025191.db2.gz CRVDNQROZHCOQI-SCZZXKLOSA-N 1 2 275.270 1.823 20 10 CDCDLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508556 937025194 /nfs/dbraw/zinc/02/51/94/937025194.db2.gz CRVDNQROZHCOQI-SCZZXKLOSA-N 1 2 275.270 1.823 20 10 CDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(N)cc1 ZINC001122253839 937915710 /nfs/dbraw/zinc/91/57/10/937915710.db2.gz JHQISJRPHOJOSU-OAHLLOKOSA-N 1 2 291.395 1.038 20 10 CDCDLO CCn1cc(C[NH2+]Cc2cccc(Cl)c2O)nn1 ZINC000404426226 940962768 /nfs/dbraw/zinc/96/27/68/940962768.db2.gz ZRJMXXIEKOPDNT-UHFFFAOYSA-N 1 2 266.732 1.947 20 10 CDCDLO COC(=O)C1C[NH+](Cc2cccc(Cl)c2O)C1 ZINC001231910357 943034761 /nfs/dbraw/zinc/03/47/61/943034761.db2.gz MJXKSTNRFJKGPU-UHFFFAOYSA-N 1 2 255.701 1.650 20 10 CDCDLO Oc1cc(O)c(C[NH+]2CC3(CC(O)C3)C2)cc1Cl ZINC001232260893 943192828 /nfs/dbraw/zinc/19/28/28/943192828.db2.gz SJXWTPLDRDEURY-UHFFFAOYSA-N 1 2 269.728 1.708 20 10 CDCDLO CC(=O)C1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233013670 943462049 /nfs/dbraw/zinc/46/20/49/943462049.db2.gz RTKFRNGZXGOHFW-UHFFFAOYSA-N 1 2 265.309 1.604 20 10 CDCDLO Oc1cc(O)c(C[N@@H+]2CCOCC23CC3)cc1O ZINC001233486475 943593792 /nfs/dbraw/zinc/59/37/92/943593792.db2.gz NZYSIQLIXNQZHB-UHFFFAOYSA-N 1 2 251.282 1.168 20 10 CDCDLO Oc1cc(O)c(C[N@H+]2CCOCC23CC3)cc1O ZINC001233486475 943593794 /nfs/dbraw/zinc/59/37/94/943593794.db2.gz NZYSIQLIXNQZHB-UHFFFAOYSA-N 1 2 251.282 1.168 20 10 CDCDLO [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001235993487 944358496 /nfs/dbraw/zinc/35/84/96/944358496.db2.gz SRVDHLFXDHKPLJ-RISCZKNCSA-N 1 2 262.309 1.014 20 10 CDCDLO [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001235993487 944358500 /nfs/dbraw/zinc/35/85/00/944358500.db2.gz SRVDHLFXDHKPLJ-RISCZKNCSA-N 1 2 262.309 1.014 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)CCO ZINC001236256142 944438631 /nfs/dbraw/zinc/43/86/31/944438631.db2.gz ZNFBWJVEVYDIOC-UHFFFAOYSA-N 1 2 263.293 1.231 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)CCO ZINC001236256142 944438635 /nfs/dbraw/zinc/43/86/35/944438635.db2.gz ZNFBWJVEVYDIOC-UHFFFAOYSA-N 1 2 263.293 1.231 20 10 CDCDLO COc1cc(C)c(C[N@@H+]2CCn3cncc3C2)c(O)c1 ZINC001236811356 944575198 /nfs/dbraw/zinc/57/51/98/944575198.db2.gz RCFSELZABIUZAI-UHFFFAOYSA-N 1 2 273.336 1.922 20 10 CDCDLO COc1cc(C)c(C[N@H+]2CCn3cncc3C2)c(O)c1 ZINC001236811356 944575201 /nfs/dbraw/zinc/57/52/01/944575201.db2.gz RCFSELZABIUZAI-UHFFFAOYSA-N 1 2 273.336 1.922 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237800032 944954005 /nfs/dbraw/zinc/95/40/05/944954005.db2.gz VFDBHVHYGNMZIG-MRVPVSSYSA-N 1 2 286.734 1.882 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237800032 944954009 /nfs/dbraw/zinc/95/40/09/944954009.db2.gz VFDBHVHYGNMZIG-MRVPVSSYSA-N 1 2 286.734 1.882 20 10 CDCDLO Cc1cc(F)cc(C[NH+]2CC3(C2)CS(=O)C3)c1O ZINC001238060144 945045302 /nfs/dbraw/zinc/04/53/02/945045302.db2.gz FSIDBCMONPVCLO-UHFFFAOYSA-N 1 2 269.341 1.404 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)CCc2[nH+]ccn2C)c1 ZINC001347852144 965727136 /nfs/dbraw/zinc/72/71/36/965727136.db2.gz QISPYFAYUSRGOS-UHFFFAOYSA-N 1 2 273.336 1.683 20 10 CDCDLO COCC1(O)C[NH+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000297401325 200176544 /nfs/dbraw/zinc/17/65/44/200176544.db2.gz CDOBBZNDKXYNHE-UHFFFAOYSA-N 1 2 287.743 1.247 20 10 CDCDLO CC(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000124505917 360373675 /nfs/dbraw/zinc/37/36/75/360373675.db2.gz KVXWGDRBINFENH-UHFFFAOYSA-N 1 2 268.744 1.710 20 10 CDCDLO COc1cccc(C[N@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000093816554 390904754 /nfs/dbraw/zinc/90/47/54/390904754.db2.gz OZPIMRQHSAHBNM-UHFFFAOYSA-N 1 2 299.392 1.410 20 10 CDCDLO COc1cccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000093816554 390904755 /nfs/dbraw/zinc/90/47/55/390904755.db2.gz OZPIMRQHSAHBNM-UHFFFAOYSA-N 1 2 299.392 1.410 20 10 CDCDLO COc1ccc(N2CC[NH+](CC3OCCO3)CC2)cc1F ZINC000182447185 391235108 /nfs/dbraw/zinc/23/51/08/391235108.db2.gz KKPLNGXLRAJOAP-UHFFFAOYSA-N 1 2 296.342 1.329 20 10 CDCDLO CC(=O)N1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000157844400 261153886 /nfs/dbraw/zinc/15/38/86/261153886.db2.gz FKICMLDUYNMQPS-UHFFFAOYSA-N 1 2 279.359 1.556 20 10 CDCDLO C[C@@H]([NH2+]CCC(C)(C)O)c1cccc(-c2nn[nH]n2)c1O ZINC001589960874 1173212905 /nfs/dbraw/zinc/21/29/05/1173212905.db2.gz HUFCYNYLPIMKRE-SECBINFHSA-N 1 2 291.355 1.384 20 10 CDCDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(O)c1O ZINC000185886095 327849802 /nfs/dbraw/zinc/84/98/02/327849802.db2.gz ICPQKWABXIRCNL-NSHDSACASA-N 1 2 299.330 1.502 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1O ZINC000050147463 518283846 /nfs/dbraw/zinc/28/38/46/518283846.db2.gz HDIWCQMFRYFRCB-ZDUSSCGKSA-N 1 2 294.326 1.574 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2C(N)=O)c1O ZINC000050147463 518283856 /nfs/dbraw/zinc/28/38/56/518283856.db2.gz HDIWCQMFRYFRCB-ZDUSSCGKSA-N 1 2 294.326 1.574 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+](CC(N)=O)C(C)C)c1O ZINC000050147078 518284208 /nfs/dbraw/zinc/28/42/08/518284208.db2.gz RBNVYUVHCYPLKV-UHFFFAOYSA-N 1 2 282.315 1.430 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+](CC(N)=O)C(C)C)c1O ZINC000050147078 518284211 /nfs/dbraw/zinc/28/42/11/518284211.db2.gz RBNVYUVHCYPLKV-UHFFFAOYSA-N 1 2 282.315 1.430 20 10 CDCDLO CCOc1cccc(C[N@H+](C)[C@@H](C)C(=O)OC)c1O ZINC000280906248 521333345 /nfs/dbraw/zinc/33/33/45/521333345.db2.gz PZZQAFPLPGABPH-JTQLQIEISA-N 1 2 267.325 1.784 20 10 CDCDLO CCOc1cccc(C[N@@H+](C)[C@@H](C)C(=O)OC)c1O ZINC000280906248 521333350 /nfs/dbraw/zinc/33/33/50/521333350.db2.gz PZZQAFPLPGABPH-JTQLQIEISA-N 1 2 267.325 1.784 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCN(C)C(=O)C2)c1O ZINC000127348545 521342046 /nfs/dbraw/zinc/34/20/46/521342046.db2.gz ZTEGSWJVYVZXET-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCN(C)C(=O)C2)c1O ZINC000127348545 521342053 /nfs/dbraw/zinc/34/20/53/521342053.db2.gz ZTEGSWJVYVZXET-UHFFFAOYSA-N 1 2 264.325 1.065 20 10 CDCDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCO1 ZINC000278591111 522749211 /nfs/dbraw/zinc/74/92/11/522749211.db2.gz GYEMRFQJSCGUCX-JSGCOSHPSA-N 1 2 296.323 1.584 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1ccc(N(C)C)c(C)c1 ZINC000293263975 523670626 /nfs/dbraw/zinc/67/06/26/523670626.db2.gz XQGNVIISUVSFGH-UHFFFAOYSA-N 1 2 294.395 1.682 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1ccc(N(C)C)c(C)c1 ZINC000293263975 523670635 /nfs/dbraw/zinc/67/06/35/523670635.db2.gz XQGNVIISUVSFGH-UHFFFAOYSA-N 1 2 294.395 1.682 20 10 CDCDLO COc1ccc(O)c(C[N@H+](C)Cc2nncn2C)c1 ZINC000290257318 524732772 /nfs/dbraw/zinc/73/27/72/524732772.db2.gz WHLVNJWJCSBQOL-UHFFFAOYSA-N 1 2 262.313 1.161 20 10 CDCDLO COc1ccc(O)c(C[N@@H+](C)Cc2nncn2C)c1 ZINC000290257318 524732783 /nfs/dbraw/zinc/73/27/83/524732783.db2.gz WHLVNJWJCSBQOL-UHFFFAOYSA-N 1 2 262.313 1.161 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCNC2=O)c1O ZINC000759424589 576387879 /nfs/dbraw/zinc/38/78/79/576387879.db2.gz RFTXLIQNALGLAD-LBPRGKRZSA-N 1 2 296.754 1.569 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCNC2=O)c1O ZINC000759424589 576387881 /nfs/dbraw/zinc/38/78/81/576387881.db2.gz RFTXLIQNALGLAD-LBPRGKRZSA-N 1 2 296.754 1.569 20 10 CDCDLO Cn1c[nH+]cc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000752951790 577136450 /nfs/dbraw/zinc/13/64/50/577136450.db2.gz JXZSJUZVKDDNRV-HWKANZROSA-N 1 2 273.292 1.161 20 10 CDCDLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(N)cc1 ZINC000877074380 1165970946 /nfs/dbraw/zinc/97/09/46/1165970946.db2.gz IITCGKQKLKQCMQ-LLVKDONJSA-N 1 2 270.336 1.691 20 10 CDCDLO O=C1NCC[C@]12CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237618365 1167396303 /nfs/dbraw/zinc/39/63/03/1167396303.db2.gz ZEPKOBWPMOOALR-CQSZACIVSA-N 1 2 298.745 1.897 20 10 CDCDLO O=C1NCC[C@]12CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237618365 1167396309 /nfs/dbraw/zinc/39/63/09/1167396309.db2.gz ZEPKOBWPMOOALR-CQSZACIVSA-N 1 2 298.745 1.897 20 10 CDCDLO C[N@H+](CC(=O)N1CCCC1)Cc1cc(F)cc(F)c1O ZINC000708433159 796465561 /nfs/dbraw/zinc/46/55/61/796465561.db2.gz IDUIGTLMPHPLRN-UHFFFAOYSA-N 1 2 284.306 1.725 20 10 CDCDLO C[N@@H+](CC(=O)N1CCCC1)Cc1cc(F)cc(F)c1O ZINC000708433159 796465567 /nfs/dbraw/zinc/46/55/67/796465567.db2.gz IDUIGTLMPHPLRN-UHFFFAOYSA-N 1 2 284.306 1.725 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H](CO)O1 ZINC000191528104 796472230 /nfs/dbraw/zinc/47/22/30/796472230.db2.gz ZKWDGRYFFMKPII-BXKDBHETSA-N 1 2 255.289 1.113 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H](CO)O1 ZINC000191528104 796472234 /nfs/dbraw/zinc/47/22/34/796472234.db2.gz ZKWDGRYFFMKPII-BXKDBHETSA-N 1 2 255.289 1.113 20 10 CDCDLO COc1ccc(O)c(CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000788663960 796774282 /nfs/dbraw/zinc/77/42/82/796774282.db2.gz YLZZMDDXMHADFW-UHFFFAOYSA-N 1 2 275.308 1.373 20 10 CDCDLO COc1ccc(O)c(CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000788663960 796774292 /nfs/dbraw/zinc/77/42/92/796774292.db2.gz YLZZMDDXMHADFW-UHFFFAOYSA-N 1 2 275.308 1.373 20 10 CDCDLO C[C@@H](CNC(=O)C1=CC(=O)CS1)Cn1cc[nH+]c1 ZINC000828404219 796813509 /nfs/dbraw/zinc/81/35/09/796813509.db2.gz PUKDWMZYOCLAOR-VIFPVBQESA-N 1 2 265.338 1.716 20 10 CDCDLO C[NH+]1CCN(C(=O)CSc2ncc(Cl)s2)CC1 ZINC000849999259 797362680 /nfs/dbraw/zinc/36/26/80/797362680.db2.gz XODFUPHCWQYKNV-UHFFFAOYSA-N 1 2 291.829 1.663 20 10 CDCDLO CN(C)c1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1F ZINC000824669892 797809291 /nfs/dbraw/zinc/80/92/91/797809291.db2.gz SMPYBKILGZCYQJ-UHFFFAOYSA-N 1 2 276.315 1.474 20 10 CDCDLO CCC[NH2+]CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001605333851 1167888132 /nfs/dbraw/zinc/88/81/32/1167888132.db2.gz AEWKFLGBZDAGAO-JTQLQIEISA-N 1 2 266.341 1.741 20 10 CDCDLO CN(C)c1ccc(N(CCO)c2ccc(N)cc2)c[nH+]1 ZINC001175341180 913524302 /nfs/dbraw/zinc/52/43/02/913524302.db2.gz CZLZOLVWZPBFSC-UHFFFAOYSA-N 1 2 272.352 1.860 20 10 CDCDLO CN1CCCc2cc(C[N@H+]3CCN(C)C(=O)C3)ccc21 ZINC001138354297 936525359 /nfs/dbraw/zinc/52/53/59/936525359.db2.gz DIRXTBOGNVZVEE-UHFFFAOYSA-N 1 2 273.380 1.343 20 10 CDCDLO CN1CCCc2cc(C[N@@H+]3CCN(C)C(=O)C3)ccc21 ZINC001138354297 936525362 /nfs/dbraw/zinc/52/53/62/936525362.db2.gz DIRXTBOGNVZVEE-UHFFFAOYSA-N 1 2 273.380 1.343 20 10 CDCDLO C[NH+](C)C[C@@H]1CN(Cc2c(O)cc(F)cc2F)CCO1 ZINC001140583186 936728017 /nfs/dbraw/zinc/72/80/17/936728017.db2.gz YKCXCGBMJXKRPQ-LLVKDONJSA-N 1 2 286.322 1.433 20 10 CDCDLO O=C1CC[N@H+](Cc2cc(O)ccc2O)CC[C@H]1F ZINC001141156611 936821401 /nfs/dbraw/zinc/82/14/01/936821401.db2.gz ONJXDRNZLCHGTH-LLVKDONJSA-N 1 2 253.273 1.601 20 10 CDCDLO O=C1CC[N@@H+](Cc2cc(O)ccc2O)CC[C@H]1F ZINC001141156611 936821402 /nfs/dbraw/zinc/82/14/02/936821402.db2.gz ONJXDRNZLCHGTH-LLVKDONJSA-N 1 2 253.273 1.601 20 10 CDCDLO C[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140369 936818535 /nfs/dbraw/zinc/81/85/35/936818535.db2.gz KXDZRPNCNMSUDP-LBPRGKRZSA-N 1 2 262.353 1.736 20 10 CDCDLO C[C@H]1COCC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140369 936818537 /nfs/dbraw/zinc/81/85/37/936818537.db2.gz KXDZRPNCNMSUDP-LBPRGKRZSA-N 1 2 262.353 1.736 20 10 CDCDLO CN(C)C(=O)C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001142524967 937027981 /nfs/dbraw/zinc/02/79/81/937027981.db2.gz RGYZUNDBPQSEFD-UHFFFAOYSA-N 1 2 258.268 1.190 20 10 CDCDLO CN(C)C(=O)C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001142524967 937027984 /nfs/dbraw/zinc/02/79/84/937027984.db2.gz RGYZUNDBPQSEFD-UHFFFAOYSA-N 1 2 258.268 1.190 20 10 CDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nonc2C)cc1 ZINC000844401380 931595208 /nfs/dbraw/zinc/59/52/08/931595208.db2.gz MUJYXRDKUGQEFO-UHFFFAOYSA-N 1 2 290.367 1.955 20 10 CDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nonc2C)cc1 ZINC000844401380 931595214 /nfs/dbraw/zinc/59/52/14/931595214.db2.gz MUJYXRDKUGQEFO-UHFFFAOYSA-N 1 2 290.367 1.955 20 10 CDCDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000800533688 935909679 /nfs/dbraw/zinc/90/96/79/935909679.db2.gz CTOSZGVCPLRXMF-NSHDSACASA-N 1 2 289.784 1.665 20 10 CDCDLO Nc1ccc(CNc2ccc(Cn3cncn3)c[nH+]2)cc1 ZINC001162788071 939138497 /nfs/dbraw/zinc/13/84/97/939138497.db2.gz YDSAMFYLSFSEHN-UHFFFAOYSA-N 1 2 280.335 1.916 20 10 CDCDLO CCOC1C[NH+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231634660 942949253 /nfs/dbraw/zinc/94/92/53/942949253.db2.gz QHVATSYOACXABR-UHFFFAOYSA-N 1 2 253.298 1.327 20 10 CDCDLO C[C@@]1(CO)C[N@H+](Cc2c(O)ccc(F)c2F)CC[C@H]1O ZINC001233332804 943545895 /nfs/dbraw/zinc/54/58/95/943545895.db2.gz YACCPBARVLAEHE-OCCSQVGLSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@@]1(CO)C[N@@H+](Cc2c(O)ccc(F)c2F)CC[C@H]1O ZINC001233332804 943545901 /nfs/dbraw/zinc/54/59/01/943545901.db2.gz YACCPBARVLAEHE-OCCSQVGLSA-N 1 2 287.306 1.236 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001233331985 943546428 /nfs/dbraw/zinc/54/64/28/943546428.db2.gz SMBJMBOQJSXNKX-GZMMTYOYSA-N 1 2 261.243 1.575 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001233331985 943546430 /nfs/dbraw/zinc/54/64/30/943546430.db2.gz SMBJMBOQJSXNKX-GZMMTYOYSA-N 1 2 261.243 1.575 20 10 CDCDLO CC(=O)N[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335705 943549302 /nfs/dbraw/zinc/54/93/02/943549302.db2.gz HUHCDJMGMOVLBP-VIFPVBQESA-N 1 2 270.279 1.381 20 10 CDCDLO CC(=O)N[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335705 943549303 /nfs/dbraw/zinc/54/93/03/943549303.db2.gz HUHCDJMGMOVLBP-VIFPVBQESA-N 1 2 270.279 1.381 20 10 CDCDLO [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001235993491 944358783 /nfs/dbraw/zinc/35/87/83/944358783.db2.gz SRVDHLFXDHKPLJ-SMDDNHRTSA-N 1 2 262.309 1.014 20 10 CDCDLO [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001235993491 944358789 /nfs/dbraw/zinc/35/87/89/944358789.db2.gz SRVDHLFXDHKPLJ-SMDDNHRTSA-N 1 2 262.309 1.014 20 10 CDCDLO CCc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC001236793843 944571488 /nfs/dbraw/zinc/57/14/88/944571488.db2.gz FQLCXOOUXNBBMX-RYUDHWBXSA-N 1 2 266.316 1.352 20 10 CDCDLO CCc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)c(O)c1 ZINC001236793843 944571494 /nfs/dbraw/zinc/57/14/94/944571494.db2.gz FQLCXOOUXNBBMX-RYUDHWBXSA-N 1 2 266.316 1.352 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CC[C@@](F)(CO)C2)c(Cl)c1 ZINC001236798241 944571751 /nfs/dbraw/zinc/57/17/51/944571751.db2.gz MALWWDWLIGQHAD-ZDUSSCGKSA-N 1 2 289.734 1.961 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CC[C@@](F)(CO)C2)c(Cl)c1 ZINC001236798241 944571755 /nfs/dbraw/zinc/57/17/55/944571755.db2.gz MALWWDWLIGQHAD-ZDUSSCGKSA-N 1 2 289.734 1.961 20 10 CDCDLO COc1cc(C[NH+]2CC(C)(OC)C2)c(O)c(OC)c1 ZINC001237674418 944917175 /nfs/dbraw/zinc/91/71/75/944917175.db2.gz GSRIZYONHCQUAU-UHFFFAOYSA-N 1 2 267.325 1.630 20 10 CDCDLO COc1cc(C[NH+]2CC3(C2)CCCO3)c(O)c(OC)c1 ZINC001237668409 944917745 /nfs/dbraw/zinc/91/77/45/944917745.db2.gz DTOSXKXSYVQMHI-UHFFFAOYSA-N 1 2 279.336 1.774 20 10 CDCDLO COC[C@@H]1COCC[N@@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237683363 944924630 /nfs/dbraw/zinc/92/46/30/944924630.db2.gz GYRSDARPIJZOCN-GFCCVEGCSA-N 1 2 297.351 1.257 20 10 CDCDLO COC[C@@H]1COCC[N@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237683363 944924641 /nfs/dbraw/zinc/92/46/41/944924641.db2.gz GYRSDARPIJZOCN-GFCCVEGCSA-N 1 2 297.351 1.257 20 10 CDCDLO Cc1cc(-c2ccn(C)c(=O)c2)c[nH+]c1N1CCOCC1 ZINC001240986812 946128971 /nfs/dbraw/zinc/12/89/71/946128971.db2.gz WEPXUMHMPJLCSL-UHFFFAOYSA-N 1 2 285.347 1.592 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])cc1F ZINC001598317711 991306037 /nfs/dbraw/zinc/30/60/37/991306037.db2.gz KGCQAWBQUHIAJJ-CQSZACIVSA-N 1 2 295.358 1.140 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])cc1F ZINC001598317711 991306048 /nfs/dbraw/zinc/30/60/48/991306048.db2.gz KGCQAWBQUHIAJJ-CQSZACIVSA-N 1 2 295.358 1.140 20 10 CDCDLO COC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000180327871 357263922 /nfs/dbraw/zinc/26/39/22/357263922.db2.gz JRQPAXNZCIZFJU-NSHDSACASA-N 1 2 271.744 1.893 20 10 CDCDLO COC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000180327871 357263923 /nfs/dbraw/zinc/26/39/23/357263923.db2.gz JRQPAXNZCIZFJU-NSHDSACASA-N 1 2 271.744 1.893 20 10 CDCDLO C[C@@H](O)CNc1cc(NCc2ccccc2O)nc[nH+]1 ZINC000298245093 200370319 /nfs/dbraw/zinc/37/03/19/200370319.db2.gz MHVRTECQJZHELA-SNVBAGLBSA-N 1 2 274.324 1.587 20 10 CDCDLO C[C@@H](O)CNc1cc(NCc2ccccc2O)[nH+]cn1 ZINC000298245093 200370321 /nfs/dbraw/zinc/37/03/21/200370321.db2.gz MHVRTECQJZHELA-SNVBAGLBSA-N 1 2 274.324 1.587 20 10 CDCDLO COC(=O)C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000093458446 360297507 /nfs/dbraw/zinc/29/75/07/360297507.db2.gz FGRVIALBWJAOBD-GFCCVEGCSA-N 1 2 299.754 1.810 20 10 CDCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000093458446 360297510 /nfs/dbraw/zinc/29/75/10/360297510.db2.gz FGRVIALBWJAOBD-GFCCVEGCSA-N 1 2 299.754 1.810 20 10 CDCDLO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000124814781 360403774 /nfs/dbraw/zinc/40/37/74/360403774.db2.gz ZXBRXVSLEMAAPC-MRVPVSSYSA-N 1 2 277.773 1.568 20 10 CDCDLO COCCN1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000271856239 365002129 /nfs/dbraw/zinc/00/21/29/365002129.db2.gz UZRDZSHURSJBBA-LBPRGKRZSA-N 1 2 284.787 1.856 20 10 CDCDLO O=C1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142508980 1160689091 /nfs/dbraw/zinc/68/90/91/1160689091.db2.gz RLSFKGHVELKBBJ-UHFFFAOYSA-N 1 2 297.301 1.994 20 10 CDCDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000050154510 524082711 /nfs/dbraw/zinc/08/27/11/524082711.db2.gz JQKBUVULTMUUPW-ZDUSSCGKSA-N 1 2 294.326 1.444 20 10 CDCDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000050154510 524082712 /nfs/dbraw/zinc/08/27/12/524082712.db2.gz JQKBUVULTMUUPW-ZDUSSCGKSA-N 1 2 294.326 1.444 20 10 CDCDLO OCC[C@]1([NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000278142702 527572597 /nfs/dbraw/zinc/57/25/97/527572597.db2.gz ABESJLRFWKIDNB-ZDUSSCGKSA-N 1 2 271.744 1.677 20 10 CDCDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000767162340 576164115 /nfs/dbraw/zinc/16/41/15/576164115.db2.gz ZAOOUJCZVZDNNJ-OAHLLOKOSA-N 1 2 291.395 1.090 20 10 CDCDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000767162340 576164118 /nfs/dbraw/zinc/16/41/18/576164118.db2.gz ZAOOUJCZVZDNNJ-OAHLLOKOSA-N 1 2 291.395 1.090 20 10 CDCDLO CN(C)c1ccc(C[N@H+](C)Cc2nnc3n2CCC3)cc1 ZINC000771529116 575587408 /nfs/dbraw/zinc/58/74/08/575587408.db2.gz VLMPROOBEHBDAY-UHFFFAOYSA-N 1 2 285.395 1.922 20 10 CDCDLO CN(C)c1ccc(C[N@@H+](C)Cc2nnc3n2CCC3)cc1 ZINC000771529116 575587411 /nfs/dbraw/zinc/58/74/11/575587411.db2.gz VLMPROOBEHBDAY-UHFFFAOYSA-N 1 2 285.395 1.922 20 10 CDCDLO CCOc1ccc([N@H+](CC)CC2(CO)COC2)cc1 ZINC000756822843 577006399 /nfs/dbraw/zinc/00/63/99/577006399.db2.gz AYYLRZDTDMPADB-UHFFFAOYSA-N 1 2 265.353 1.921 20 10 CDCDLO CCOc1ccc([N@@H+](CC)CC2(CO)COC2)cc1 ZINC000756822843 577006401 /nfs/dbraw/zinc/00/64/01/577006401.db2.gz AYYLRZDTDMPADB-UHFFFAOYSA-N 1 2 265.353 1.921 20 10 CDCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000841099405 618682157 /nfs/dbraw/zinc/68/21/57/618682157.db2.gz OZGCQWGAGYUXCU-SNVBAGLBSA-N 1 2 291.178 1.777 20 10 CDCDLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000895114514 619304962 /nfs/dbraw/zinc/30/49/62/619304962.db2.gz MEMICHWLAMKMLG-GUBZILKMSA-N 1 2 292.335 1.218 20 10 CDCDLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000895114514 619304963 /nfs/dbraw/zinc/30/49/63/619304963.db2.gz MEMICHWLAMKMLG-GUBZILKMSA-N 1 2 292.335 1.218 20 10 CDCDLO O=C1CC[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3O)CC[C@H]2N1 ZINC000895258298 619501538 /nfs/dbraw/zinc/50/15/38/619501538.db2.gz BYOWZGUFJOJEPU-NOZJJQNGSA-N 1 2 296.317 1.771 20 10 CDCDLO O=C1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)CC[C@H]2N1 ZINC000895258298 619501545 /nfs/dbraw/zinc/50/15/45/619501545.db2.gz BYOWZGUFJOJEPU-NOZJJQNGSA-N 1 2 296.317 1.771 20 10 CDCDLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000895328909 619567788 /nfs/dbraw/zinc/56/77/88/619567788.db2.gz HLFXFETWLAVVRW-ZWNOBZJWSA-N 1 2 289.734 1.502 20 10 CDCDLO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000895328909 619567795 /nfs/dbraw/zinc/56/77/95/619567795.db2.gz HLFXFETWLAVVRW-ZWNOBZJWSA-N 1 2 289.734 1.502 20 10 CDCDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000123405014 1165241105 /nfs/dbraw/zinc/24/11/05/1165241105.db2.gz SLPVQIUAOZYSIJ-AWEZNQCLSA-N 1 2 287.407 1.997 20 10 CDCDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000123405014 1165241114 /nfs/dbraw/zinc/24/11/14/1165241114.db2.gz SLPVQIUAOZYSIJ-AWEZNQCLSA-N 1 2 287.407 1.997 20 10 CDCDLO C[C@H]([NH2+]CCn1cccn1)c1cccc(-c2nn[nH]n2)c1O ZINC001589965596 1173216437 /nfs/dbraw/zinc/21/64/37/1173216437.db2.gz LSBZWJWNPOKCPK-JTQLQIEISA-N 1 2 299.338 1.120 20 10 CDCDLO COc1ccc(O)c(CNC(=O)NCc2c[nH+]cn2C)c1 ZINC000812043861 814276957 /nfs/dbraw/zinc/27/69/57/814276957.db2.gz RTWHJMMVILIHBY-UHFFFAOYSA-N 1 2 290.323 1.134 20 10 CDCDLO COc1cccc([C@H](C)[NH2+]CC(F)(F)CO)c1O ZINC000846165139 805050724 /nfs/dbraw/zinc/05/07/24/805050724.db2.gz SSKHFYQKADAIQQ-QMMMGPOBSA-N 1 2 261.268 1.679 20 10 CDCDLO CN(C)c1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000844129934 812052067 /nfs/dbraw/zinc/05/20/67/812052067.db2.gz VSXDRYAEZWYCBL-AWEZNQCLSA-N 1 2 298.390 1.828 20 10 CDCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](CO)C2)cc1Cl ZINC000824782861 812800826 /nfs/dbraw/zinc/80/08/26/812800826.db2.gz NVMCUSFRQVRIGV-LLVKDONJSA-N 1 2 271.744 1.547 20 10 CDCDLO Cc1cc(O)c(C[N@H+]2CCO[C@@H](CO)C2)cc1Cl ZINC000824782861 812800827 /nfs/dbraw/zinc/80/08/27/812800827.db2.gz NVMCUSFRQVRIGV-LLVKDONJSA-N 1 2 271.744 1.547 20 10 CDCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000883181712 813077048 /nfs/dbraw/zinc/07/70/48/813077048.db2.gz IQPAMMJZIYEMJV-KYZUINATSA-N 1 2 290.132 1.907 20 10 CDCDLO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000825283967 813288766 /nfs/dbraw/zinc/28/87/66/813288766.db2.gz BODMEDLXZBWSFV-APPZFPTMSA-N 1 2 286.734 1.928 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]2CO)c1O ZINC000934027827 816854913 /nfs/dbraw/zinc/85/49/13/816854913.db2.gz RZSPQNCKHXBNSO-NSHDSACASA-N 1 2 269.728 1.815 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]2CO)c1O ZINC000934027827 816854915 /nfs/dbraw/zinc/85/49/15/816854915.db2.gz RZSPQNCKHXBNSO-NSHDSACASA-N 1 2 269.728 1.815 20 10 CDCDLO CCN1C(=O)/C(=C/c2c[nH+]c(N(C)C)n2C)SC1=S ZINC000840713770 817328922 /nfs/dbraw/zinc/32/89/22/817328922.db2.gz VIYGCYLSQMRBIQ-TWGQIWQCSA-N 1 2 296.421 1.707 20 10 CDCDLO C[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)c2c1c(F)ccc2O ZINC000787031563 817388646 /nfs/dbraw/zinc/38/86/46/817388646.db2.gz OBDUHYWZTJIEHI-IONNQARKSA-N 1 2 277.303 1.393 20 10 CDCDLO C[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCC(=O)N1 ZINC000835060882 817631764 /nfs/dbraw/zinc/63/17/64/817631764.db2.gz ORBOZZYXAVXJEQ-ZDUSSCGKSA-N 1 2 286.734 1.943 20 10 CDCDLO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(F)cc(F)c1O ZINC000858602254 817784684 /nfs/dbraw/zinc/78/46/84/817784684.db2.gz VAIKMSNLSSCLLK-KOLCDFICSA-N 1 2 286.322 1.388 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H](O)C[C@H]1C ZINC001139126574 936599713 /nfs/dbraw/zinc/59/97/13/936599713.db2.gz LGNQVFKUHFANEK-MNOVXSKESA-N 1 2 289.331 1.762 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC001139126574 936599714 /nfs/dbraw/zinc/59/97/14/936599714.db2.gz LGNQVFKUHFANEK-MNOVXSKESA-N 1 2 289.331 1.762 20 10 CDCDLO C[NH+]1CCN(C2CN(Cc3c(F)ccc(F)c3O)C2)CC1 ZINC001139686551 936635739 /nfs/dbraw/zinc/63/57/39/936635739.db2.gz ALRQQSKTFUUPIZ-UHFFFAOYSA-N 1 2 297.349 1.102 20 10 CDCDLO O=C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140283608 936697699 /nfs/dbraw/zinc/69/76/99/936697699.db2.gz XXBDPSWGTRPPMW-UHFFFAOYSA-N 1 2 288.391 1.813 20 10 CDCDLO COC[C@@H]1C[N@H+](Cc2c(O)cc(OC)cc2OC)CCO1 ZINC001141029020 936794451 /nfs/dbraw/zinc/79/44/51/936794451.db2.gz HSDBRZXWAVHQSQ-LBPRGKRZSA-N 1 2 297.351 1.257 20 10 CDCDLO COC[C@@H]1C[N@@H+](Cc2c(O)cc(OC)cc2OC)CCO1 ZINC001141029020 936794453 /nfs/dbraw/zinc/79/44/53/936794453.db2.gz HSDBRZXWAVHQSQ-LBPRGKRZSA-N 1 2 297.351 1.257 20 10 CDCDLO CN1CCOc2cc(C[N@@H+]3CCc4ncncc4C3)ccc21 ZINC001141143480 936819272 /nfs/dbraw/zinc/81/92/72/936819272.db2.gz AJXNTINNNZGXNQ-UHFFFAOYSA-N 1 2 296.374 1.864 20 10 CDCDLO CN1CCOc2cc(C[N@H+]3CCc4ncncc4C3)ccc21 ZINC001141143480 936819275 /nfs/dbraw/zinc/81/92/75/936819275.db2.gz AJXNTINNNZGXNQ-UHFFFAOYSA-N 1 2 296.374 1.864 20 10 CDCDLO CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141142674 936819334 /nfs/dbraw/zinc/81/93/34/936819334.db2.gz WSLMGZXMYGXOOK-UHFFFAOYSA-N 1 2 289.379 1.179 20 10 CDCDLO COCCOC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000838986723 936899236 /nfs/dbraw/zinc/89/92/36/936899236.db2.gz KDCYLLXVISRKRK-UHFFFAOYSA-N 1 2 255.289 1.379 20 10 CDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(N)cc1 ZINC001122253838 937915743 /nfs/dbraw/zinc/91/57/43/937915743.db2.gz JHQISJRPHOJOSU-HNNXBMFYSA-N 1 2 291.395 1.038 20 10 CDCDLO COc1cccc(C[N@@H+]2CCO[C@@H](C(C)=O)C2)c1O ZINC001203602081 939695224 /nfs/dbraw/zinc/69/52/24/939695224.db2.gz ZIKZHRDAJBVWTN-CYBMUJFWSA-N 1 2 265.309 1.191 20 10 CDCDLO COc1cccc(C[N@H+]2CCO[C@@H](C(C)=O)C2)c1O ZINC001203602081 939695226 /nfs/dbraw/zinc/69/52/26/939695226.db2.gz ZIKZHRDAJBVWTN-CYBMUJFWSA-N 1 2 265.309 1.191 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)CCO1 ZINC001203627747 939697601 /nfs/dbraw/zinc/69/76/01/939697601.db2.gz MULSZRIYYFBSEG-AWEZNQCLSA-N 1 2 295.335 1.165 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)cc2O)CCO1 ZINC001203627747 939697603 /nfs/dbraw/zinc/69/76/03/939697603.db2.gz MULSZRIYYFBSEG-AWEZNQCLSA-N 1 2 295.335 1.165 20 10 CDCDLO O=c1cc2[nH]cnc(O[C@H]3C[NH2+]CC3(F)F)c-2cc1O ZINC001218239596 941048982 /nfs/dbraw/zinc/04/89/82/941048982.db2.gz OYAAFMWKZSUORB-JTQLQIEISA-N 1 2 283.234 1.027 20 10 CDCDLO Nc1ccc(CC(=O)Nc2cc[nH+]c3c2CCC3)cc1 ZINC001218621272 941246364 /nfs/dbraw/zinc/24/63/64/941246364.db2.gz PXIJSLQAISTJMH-UHFFFAOYSA-N 1 2 267.332 1.756 20 10 CDCDLO Cc1cccc(O)c1C[N@@H+]1CCn2cnc(CO)c2C1 ZINC001235508474 944180238 /nfs/dbraw/zinc/18/02/38/944180238.db2.gz NGDZLJZFLSYSMG-UHFFFAOYSA-N 1 2 273.336 1.405 20 10 CDCDLO Cc1cccc(O)c1C[N@H+]1CCn2cnc(CO)c2C1 ZINC001235508474 944180239 /nfs/dbraw/zinc/18/02/39/944180239.db2.gz NGDZLJZFLSYSMG-UHFFFAOYSA-N 1 2 273.336 1.405 20 10 CDCDLO NC(=O)C1C[NH+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237085030 944652188 /nfs/dbraw/zinc/65/21/88/944652188.db2.gz RUXGDYPJIYFZMC-UHFFFAOYSA-N 1 2 275.135 1.616 20 10 CDCDLO C[C@@]1(O)COCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237807900 944960928 /nfs/dbraw/zinc/96/09/28/944960928.db2.gz NWBBXRQWMZDWEO-ZDUSSCGKSA-N 1 2 289.734 1.768 20 10 CDCDLO C[C@@]1(O)COCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237807900 944960934 /nfs/dbraw/zinc/96/09/34/944960934.db2.gz NWBBXRQWMZDWEO-ZDUSSCGKSA-N 1 2 289.734 1.768 20 10 CDCDLO CCOc1cccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1O ZINC000295099730 199344746 /nfs/dbraw/zinc/34/47/46/199344746.db2.gz USQNMOMJAWZRLD-JTQLQIEISA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1O ZINC000295099730 199344748 /nfs/dbraw/zinc/34/47/48/199344748.db2.gz USQNMOMJAWZRLD-JTQLQIEISA-N 1 2 264.325 1.111 20 10 CDCDLO Cc1cccc(C[N@@H+]2CCn3cnnc3[C@@H]2C)c1O ZINC000276844758 366180712 /nfs/dbraw/zinc/18/07/12/366180712.db2.gz TWMDWOXFIGTHAQ-NSHDSACASA-N 1 2 258.325 1.869 20 10 CDCDLO Cc1cccc(C[N@H+]2CCn3cnnc3[C@@H]2C)c1O ZINC000276844758 366180715 /nfs/dbraw/zinc/18/07/15/366180715.db2.gz TWMDWOXFIGTHAQ-NSHDSACASA-N 1 2 258.325 1.869 20 10 CDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000188785594 357936763 /nfs/dbraw/zinc/93/67/63/357936763.db2.gz UDIHKEIHLODYRR-NWDGAFQWSA-N 1 2 299.754 1.544 20 10 CDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000188785594 357936766 /nfs/dbraw/zinc/93/67/66/357936766.db2.gz UDIHKEIHLODYRR-NWDGAFQWSA-N 1 2 299.754 1.544 20 10 CDCDLO COC[C@H](O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000224933773 359538430 /nfs/dbraw/zinc/53/84/30/359538430.db2.gz LMHFYNNZNZFJEA-SNVBAGLBSA-N 1 2 259.733 1.533 20 10 CDCDLO COC[C@H](CCO)[NH2+]Cc1cccc(Cl)c1O ZINC000224846520 359531293 /nfs/dbraw/zinc/53/12/93/359531293.db2.gz FVAAOYQBTFNSFF-JTQLQIEISA-N 1 2 259.733 1.533 20 10 CDCDLO C[C@@H](O)c1cn(C2C[NH+](Cc3cc(F)ccc3O)C2)nn1 ZINC000374798620 370756596 /nfs/dbraw/zinc/75/65/96/370756596.db2.gz HQGXZFKLSNZTJT-SECBINFHSA-N 1 2 292.314 1.233 20 10 CDCDLO OC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000271179295 364962761 /nfs/dbraw/zinc/96/27/61/364962761.db2.gz LQCJQJCLWIYZOZ-SECBINFHSA-N 1 2 257.717 1.239 20 10 CDCDLO OC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000271179295 364962766 /nfs/dbraw/zinc/96/27/66/364962766.db2.gz LQCJQJCLWIYZOZ-SECBINFHSA-N 1 2 257.717 1.239 20 10 CDCDLO C[NH+]1CCC([N@H+](CCO)Cc2cccc(Cl)c2[O-])CC1 ZINC000271851953 365001571 /nfs/dbraw/zinc/00/15/71/365001571.db2.gz WJBHMHULUUXRNQ-UHFFFAOYSA-N 1 2 298.814 1.934 20 10 CDCDLO C[NH+]1CCC([N@@H+](CCO)Cc2cccc(Cl)c2[O-])CC1 ZINC000271851953 365001575 /nfs/dbraw/zinc/00/15/75/365001575.db2.gz WJBHMHULUUXRNQ-UHFFFAOYSA-N 1 2 298.814 1.934 20 10 CDCDLO CN(C)c1ccc(C[NH2+]Cc2cc(C(N)=O)no2)cc1F ZINC000273454446 365496104 /nfs/dbraw/zinc/49/61/04/365496104.db2.gz ZQFRSGGAOQQSIC-UHFFFAOYSA-N 1 2 292.314 1.268 20 10 CDCDLO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ncn(C)n1 ZINC000276302674 371206967 /nfs/dbraw/zinc/20/69/67/371206967.db2.gz UYCGNDJOSPNIGK-QMMMGPOBSA-N 1 2 250.277 1.511 20 10 CDCDLO Cc1ccc(C(=O)NCCCn2cc[nH+]c2)c(O)c1O ZINC000177660622 391173741 /nfs/dbraw/zinc/17/37/41/391173741.db2.gz GNHNETGBRLLIGM-UHFFFAOYSA-N 1 2 275.308 1.423 20 10 CDCDLO C[C@]1(CO)C[N@@H+](Cc2cccc(Cl)c2O)C[C@@]1(C)CO ZINC000529668535 281351740 /nfs/dbraw/zinc/35/17/40/281351740.db2.gz KYLOKYTZARYYMV-GASCZTMLSA-N 1 2 299.798 1.858 20 10 CDCDLO C[C@]1(CO)C[N@H+](Cc2cccc(Cl)c2O)C[C@@]1(C)CO ZINC000529668535 281351741 /nfs/dbraw/zinc/35/17/41/281351741.db2.gz KYLOKYTZARYYMV-GASCZTMLSA-N 1 2 299.798 1.858 20 10 CDCDLO CN(C)c1ccc(C[NH2+]Cc2cnn(C)n2)cc1F ZINC000290156101 328258276 /nfs/dbraw/zinc/25/82/76/328258276.db2.gz PLPRXZAUEQNGIK-UHFFFAOYSA-N 1 2 263.320 1.310 20 10 CDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000188783181 329371990 /nfs/dbraw/zinc/37/19/90/329371990.db2.gz YEKGVQVSGXHVRO-QWHCGFSZSA-N 1 2 299.754 1.544 20 10 CDCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000188783181 329371991 /nfs/dbraw/zinc/37/19/91/329371991.db2.gz YEKGVQVSGXHVRO-QWHCGFSZSA-N 1 2 299.754 1.544 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[NH+](CCO)CCO)c1O ZINC000050141779 518279381 /nfs/dbraw/zinc/27/93/81/518279381.db2.gz HVQSDSVDLNBKDQ-UHFFFAOYSA-N 1 2 287.743 1.035 20 10 CDCDLO CCCC[N@H+](CC(N)=O)Cc1cc(F)cc(C(C)=O)c1O ZINC000050145679 520450938 /nfs/dbraw/zinc/45/09/38/520450938.db2.gz FUYZBQQIKSYVLQ-UHFFFAOYSA-N 1 2 296.342 1.821 20 10 CDCDLO CCCC[N@@H+](CC(N)=O)Cc1cc(F)cc(C(C)=O)c1O ZINC000050145679 520450945 /nfs/dbraw/zinc/45/09/45/520450945.db2.gz FUYZBQQIKSYVLQ-UHFFFAOYSA-N 1 2 296.342 1.821 20 10 CDCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278281524 521871495 /nfs/dbraw/zinc/87/14/95/521871495.db2.gz SXYGLCNQDDJNMU-SECBINFHSA-N 1 2 282.296 1.530 20 10 CDCDLO COc1c(O)c(C[N@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278281524 521871503 /nfs/dbraw/zinc/87/15/03/521871503.db2.gz SXYGLCNQDDJNMU-SECBINFHSA-N 1 2 282.296 1.530 20 10 CDCDLO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366545307 526432851 /nfs/dbraw/zinc/43/28/51/526432851.db2.gz PQMSUADBLBYNEN-CVEARBPZSA-N 1 2 274.364 1.496 20 10 CDCDLO c1cc(N2CCOCC2)ccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366545307 526432857 /nfs/dbraw/zinc/43/28/57/526432857.db2.gz PQMSUADBLBYNEN-CVEARBPZSA-N 1 2 274.364 1.496 20 10 CDCDLO C[N@H+](Cc1nnc2n1CCC2)Cc1ccccc1O ZINC000732203011 575083442 /nfs/dbraw/zinc/08/34/42/575083442.db2.gz LNZDJTFMTMVNFL-UHFFFAOYSA-N 1 2 258.325 1.562 20 10 CDCDLO C[N@@H+](Cc1nnc2n1CCC2)Cc1ccccc1O ZINC000732203011 575083443 /nfs/dbraw/zinc/08/34/43/575083443.db2.gz LNZDJTFMTMVNFL-UHFFFAOYSA-N 1 2 258.325 1.562 20 10 CDCDLO CCOC(=O)C[N@H+](Cc1c(O)cccc1OC)C1CC1 ZINC000768755746 576305792 /nfs/dbraw/zinc/30/57/92/576305792.db2.gz XPYRTBXNCZISSQ-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO CCOC(=O)C[N@@H+](Cc1c(O)cccc1OC)C1CC1 ZINC000768755746 576305793 /nfs/dbraw/zinc/30/57/93/576305793.db2.gz XPYRTBXNCZISSQ-UHFFFAOYSA-N 1 2 279.336 1.928 20 10 CDCDLO c1cn2c([nH+]1)CN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000769257334 576340567 /nfs/dbraw/zinc/34/05/67/576340567.db2.gz BCRAFUZXHDQDRX-UHFFFAOYSA-N 1 2 298.390 1.736 20 10 CDCDLO C[C@H]([NH2+]Cc1nncn1C)c1cc(F)cc(F)c1O ZINC000756400403 576988860 /nfs/dbraw/zinc/98/88/60/576988860.db2.gz KGSILPVFYMAKKF-ZETCQYMHSA-N 1 2 268.267 1.650 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891923503 617777874 /nfs/dbraw/zinc/77/78/74/617777874.db2.gz NRVNJGNWEBUGTL-NSHDSACASA-N 1 2 294.351 1.120 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891923503 617777881 /nfs/dbraw/zinc/77/78/81/617777881.db2.gz NRVNJGNWEBUGTL-NSHDSACASA-N 1 2 294.351 1.120 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O ZINC000840974752 617947694 /nfs/dbraw/zinc/94/76/94/617947694.db2.gz FYAUORJMSNBLNJ-CABZTGNLSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O ZINC000840974752 617947703 /nfs/dbraw/zinc/94/77/03/617947703.db2.gz FYAUORJMSNBLNJ-CABZTGNLSA-N 1 2 289.734 1.360 20 10 CDCDLO O=CN1CCC[N@@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000895355186 619597482 /nfs/dbraw/zinc/59/74/82/619597482.db2.gz YPITVKNEMLHJIL-UHFFFAOYSA-N 1 2 270.279 1.335 20 10 CDCDLO O=CN1CCC[N@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000895355186 619597486 /nfs/dbraw/zinc/59/74/86/619597486.db2.gz YPITVKNEMLHJIL-UHFFFAOYSA-N 1 2 270.279 1.335 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CCO[C@@H](OC)C2)c(O)c1 ZINC000895968402 619926634 /nfs/dbraw/zinc/92/66/34/619926634.db2.gz BTSDBOYMMBHOEL-CQSZACIVSA-N 1 2 267.325 1.596 20 10 CDCDLO CCOc1ccc(C[N@H+]2CCO[C@@H](OC)C2)c(O)c1 ZINC000895968402 619926635 /nfs/dbraw/zinc/92/66/35/619926635.db2.gz BTSDBOYMMBHOEL-CQSZACIVSA-N 1 2 267.325 1.596 20 10 CDCDLO Cn1cnc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000898042630 621307058 /nfs/dbraw/zinc/30/70/58/621307058.db2.gz UUYLVHZJOMQESF-UHFFFAOYSA-N 1 2 253.252 1.694 20 10 CDCDLO CCN1C(=O)/C(=C\c2c[nH+]cn2C)SC1=S ZINC000901415583 624227969 /nfs/dbraw/zinc/22/79/69/624227969.db2.gz LDOOQHOOTCSRJH-XBXARRHUSA-N 1 2 253.352 1.641 20 10 CDCDLO COC[C@H]1COCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000902557781 624946210 /nfs/dbraw/zinc/94/62/10/624946210.db2.gz AMMIBLBTYIHSOB-LBPRGKRZSA-N 1 2 297.351 1.257 20 10 CDCDLO COC[C@H]1COCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000902557781 624946215 /nfs/dbraw/zinc/94/62/15/624946215.db2.gz AMMIBLBTYIHSOB-LBPRGKRZSA-N 1 2 297.351 1.257 20 10 CDCDLO Cn1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000708534651 818485446 /nfs/dbraw/zinc/48/54/46/818485446.db2.gz CKHSFBJIGRTHNX-UHFFFAOYSA-N 1 2 253.252 1.694 20 10 CDCDLO [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000841035704 818544351 /nfs/dbraw/zinc/54/43/51/818544351.db2.gz KEAWJYDKSDHTEA-SNVBAGLBSA-N 1 2 285.185 1.996 20 10 CDCDLO CCC[N@H+](CC(=O)N(C)C)Cc1cc(F)cc(F)c1O ZINC000708434092 819129934 /nfs/dbraw/zinc/12/99/34/819129934.db2.gz OPYIZSDRZQKPTP-UHFFFAOYSA-N 1 2 286.322 1.971 20 10 CDCDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(F)cc(F)c1O ZINC000708434092 819129943 /nfs/dbraw/zinc/12/99/43/819129943.db2.gz OPYIZSDRZQKPTP-UHFFFAOYSA-N 1 2 286.322 1.971 20 10 CDCDLO COc1cccc(O)c1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000827119551 820825091 /nfs/dbraw/zinc/82/50/91/820825091.db2.gz NCEAFQQVMLSGCY-CYBMUJFWSA-N 1 2 292.379 1.307 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](CF)C2)cc1OC ZINC000840172476 820863512 /nfs/dbraw/zinc/86/35/12/820863512.db2.gz RASRXEOXDRAYRZ-LLVKDONJSA-N 1 2 285.315 1.580 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCO[C@H](CF)C2)cc1OC ZINC000840172476 820863513 /nfs/dbraw/zinc/86/35/13/820863513.db2.gz RASRXEOXDRAYRZ-LLVKDONJSA-N 1 2 285.315 1.580 20 10 CDCDLO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC(=O)N1 ZINC001233452184 912820484 /nfs/dbraw/zinc/82/04/84/912820484.db2.gz NCCZWIHQDGVPQO-QMMMGPOBSA-N 1 2 288.269 1.731 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC(=O)N1 ZINC001233452184 912820495 /nfs/dbraw/zinc/82/04/95/912820495.db2.gz NCCZWIHQDGVPQO-QMMMGPOBSA-N 1 2 288.269 1.731 20 10 CDCDLO CCc1ccc(CN2CC[NH2+]CC(F)(F)C2)c(O)c1 ZINC001211345679 895692605 /nfs/dbraw/zinc/69/26/05/895692605.db2.gz CTELSCCEPDNFDS-UHFFFAOYSA-N 1 2 270.323 1.995 20 10 CDCDLO C[C@]1(CO)C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1O ZINC001231910397 911876099 /nfs/dbraw/zinc/87/60/99/911876099.db2.gz OGWDWQHATOWVSU-TZMCWYRMSA-N 1 2 285.771 1.611 20 10 CDCDLO C[C@]1(CO)C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1O ZINC001231910397 911876112 /nfs/dbraw/zinc/87/61/12/911876112.db2.gz OGWDWQHATOWVSU-TZMCWYRMSA-N 1 2 285.771 1.611 20 10 CDCDLO Oc1c(F)cccc1C[NH+]1CCN(C2COC2)CC1 ZINC001138122382 936473616 /nfs/dbraw/zinc/47/36/16/936473616.db2.gz AOGBYXCFAIDHEJ-UHFFFAOYSA-N 1 2 266.316 1.048 20 10 CDCDLO CC(=O)N(C)C1C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001140466982 936712451 /nfs/dbraw/zinc/71/24/51/936712451.db2.gz ORQJGBJYAJWABU-UHFFFAOYSA-N 1 2 268.744 1.708 20 10 CDCDLO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C)c(OC)c1 ZINC001141029588 936794887 /nfs/dbraw/zinc/79/48/87/936794887.db2.gz WVDKKBGQKZDCPL-TXEJJXNPSA-N 1 2 292.379 1.688 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C)c(OC)c1 ZINC001141029588 936794890 /nfs/dbraw/zinc/79/48/90/936794890.db2.gz WVDKKBGQKZDCPL-TXEJJXNPSA-N 1 2 292.379 1.688 20 10 CDCDLO Cc1cccc(O)c1C[N@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC001119516912 937727164 /nfs/dbraw/zinc/72/71/64/937727164.db2.gz LDXUFUCGSFCVAJ-UHFFFAOYSA-N 1 2 299.334 1.064 20 10 CDCDLO Cc1cccc(O)c1C[N@@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC001119516912 937727166 /nfs/dbraw/zinc/72/71/66/937727166.db2.gz LDXUFUCGSFCVAJ-UHFFFAOYSA-N 1 2 299.334 1.064 20 10 CDCDLO Nc1ccncc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001209737918 940635276 /nfs/dbraw/zinc/63/52/76/940635276.db2.gz UEFOCQCMUGFRNQ-UHFFFAOYSA-N 1 2 255.321 1.758 20 10 CDCDLO Nc1ccncc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001209737918 940635277 /nfs/dbraw/zinc/63/52/77/940635277.db2.gz UEFOCQCMUGFRNQ-UHFFFAOYSA-N 1 2 255.321 1.758 20 10 CDCDLO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2O)CCC1=O ZINC001231591544 942937953 /nfs/dbraw/zinc/93/79/53/942937953.db2.gz GHPGBUHQHPZUGZ-ZDUSSCGKSA-N 1 2 291.347 1.655 20 10 CDCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(C)c2O)CCC1=O ZINC001231591544 942937959 /nfs/dbraw/zinc/93/79/59/942937959.db2.gz GHPGBUHQHPZUGZ-ZDUSSCGKSA-N 1 2 291.347 1.655 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](F)[C@@H](OC)C1 ZINC001231849749 943028830 /nfs/dbraw/zinc/02/88/30/943028830.db2.gz YDHUKBZFLNRKKV-ZFWWWQNUSA-N 1 2 282.359 1.930 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1C[C@H](F)[C@@H](OC)C1 ZINC001231849749 943028833 /nfs/dbraw/zinc/02/88/33/943028833.db2.gz YDHUKBZFLNRKKV-ZFWWWQNUSA-N 1 2 282.359 1.930 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCCNC(=O)C2)cc1Cl ZINC001232266204 943193894 /nfs/dbraw/zinc/19/38/94/943193894.db2.gz KLUDVSOEJZLNOZ-UHFFFAOYSA-N 1 2 284.743 1.376 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCCNC(=O)C2)cc1Cl ZINC001232266204 943193900 /nfs/dbraw/zinc/19/39/00/943193900.db2.gz KLUDVSOEJZLNOZ-UHFFFAOYSA-N 1 2 284.743 1.376 20 10 CDCDLO NC(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000722180700 943968310 /nfs/dbraw/zinc/96/83/10/943968310.db2.gz QZLAPYICJKGRNG-UHFFFAOYSA-N 1 2 269.732 1.242 20 10 CDCDLO [NH3+][C@@]12C[C@@H]1CCN(Cc1c(F)ccc(F)c1O)C2 ZINC001235161230 944074909 /nfs/dbraw/zinc/07/49/09/944074909.db2.gz OCLWUEMROLOMAT-ISVAXAHUSA-N 1 2 254.280 1.594 20 10 CDCDLO Cc1c(O)ccc(C[NH+]2C[C@H](C)N[C@@H](C)C2)c1O ZINC001236575975 944513710 /nfs/dbraw/zinc/51/37/10/944513710.db2.gz FTJPRFWLPKHORH-UWVGGRQHSA-N 1 2 250.342 1.588 20 10 CDCDLO COc1cc(C)c(C[N@@H+]2CCN(C(C)C)C(=O)C2)c(O)c1 ZINC001236817110 944580972 /nfs/dbraw/zinc/58/09/72/944580972.db2.gz BUKPBJSTYUDFHD-UHFFFAOYSA-N 1 2 292.379 1.762 20 10 CDCDLO COc1cc(C)c(C[N@H+]2CCN(C(C)C)C(=O)C2)c(O)c1 ZINC001236817110 944580974 /nfs/dbraw/zinc/58/09/74/944580974.db2.gz BUKPBJSTYUDFHD-UHFFFAOYSA-N 1 2 292.379 1.762 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)c(Cl)cc1O ZINC001237940110 945009332 /nfs/dbraw/zinc/00/93/32/945009332.db2.gz BFLVLSRPLDVJNZ-JTQLQIEISA-N 1 2 272.707 1.634 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)c(Cl)cc1O ZINC001237940110 945009341 /nfs/dbraw/zinc/00/93/41/945009341.db2.gz BFLVLSRPLDVJNZ-JTQLQIEISA-N 1 2 272.707 1.634 20 10 CDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1ccccc1O ZINC000047028333 348804629 /nfs/dbraw/zinc/80/46/29/348804629.db2.gz IDDQKOGNNSSHIA-LBPRGKRZSA-N 1 2 288.351 1.819 20 10 CDCDLO COc1cccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1O ZINC000271189263 364968735 /nfs/dbraw/zinc/96/87/35/364968735.db2.gz KWRVMLMRPMGUBG-FDMGOTLNSA-N 1 2 283.393 1.742 20 10 CDCDLO COc1cccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1O ZINC000271189263 364968737 /nfs/dbraw/zinc/96/87/37/364968737.db2.gz KWRVMLMRPMGUBG-FDMGOTLNSA-N 1 2 283.393 1.742 20 10 CDCDLO COC[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000272341005 365197020 /nfs/dbraw/zinc/19/70/20/365197020.db2.gz YSMDVIAJIVBBHB-NSHDSACASA-N 1 2 255.289 1.379 20 10 CDCDLO COC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000272341005 365197027 /nfs/dbraw/zinc/19/70/27/365197027.db2.gz YSMDVIAJIVBBHB-NSHDSACASA-N 1 2 255.289 1.379 20 10 CDCDLO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273378344 365490883 /nfs/dbraw/zinc/49/08/83/365490883.db2.gz HTRMRGKYHNBKHC-JOYOIKCWSA-N 1 2 293.323 1.620 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2CC(=O)NCC2(C)C)c1O ZINC000282740049 368016541 /nfs/dbraw/zinc/01/65/41/368016541.db2.gz MZXMYFXOIPRFPU-UHFFFAOYSA-N 1 2 298.770 1.765 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2CC(=O)NCC2(C)C)c1O ZINC000282740049 368016545 /nfs/dbraw/zinc/01/65/45/368016545.db2.gz MZXMYFXOIPRFPU-UHFFFAOYSA-N 1 2 298.770 1.765 20 10 CDCDLO CCOc1ccc(O)c(C[NH2+]CC(F)(F)CO)c1 ZINC000183882906 391272960 /nfs/dbraw/zinc/27/29/60/391272960.db2.gz SNJVHBJGKWWGOG-UHFFFAOYSA-N 1 2 261.268 1.508 20 10 CDCDLO CC(C)C(=O)NCC[NH2+]Cc1cccc(Cl)c1O ZINC000124664052 391398706 /nfs/dbraw/zinc/39/87/06/391398706.db2.gz HQIMXLYYFDFBHK-UHFFFAOYSA-N 1 2 270.760 1.907 20 10 CDCDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000378361424 329047338 /nfs/dbraw/zinc/04/73/38/329047338.db2.gz NQBNOWKZOZEXIW-CYBMUJFWSA-N 1 2 278.352 1.071 20 10 CDCDLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000378361424 329047340 /nfs/dbraw/zinc/04/73/40/329047340.db2.gz NQBNOWKZOZEXIW-CYBMUJFWSA-N 1 2 278.352 1.071 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCN2CCOc3cccc1c32 ZINC000492813212 332414511 /nfs/dbraw/zinc/41/45/11/332414511.db2.gz OVZZRQVLBBNMOG-PLNGDYQASA-N 1 2 296.330 1.669 20 10 CDCDLO CCN1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000289938927 521687531 /nfs/dbraw/zinc/68/75/31/521687531.db2.gz YELJUWFWGKFCFN-NSHDSACASA-N 1 2 278.352 1.647 20 10 CDCDLO CCN1CC[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000289938927 521687534 /nfs/dbraw/zinc/68/75/34/521687534.db2.gz YELJUWFWGKFCFN-NSHDSACASA-N 1 2 278.352 1.647 20 10 CDCDLO CCN1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000289938923 521687909 /nfs/dbraw/zinc/68/79/09/521687909.db2.gz YELJUWFWGKFCFN-LLVKDONJSA-N 1 2 278.352 1.647 20 10 CDCDLO CCN1CC[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000289938923 521687911 /nfs/dbraw/zinc/68/79/11/521687911.db2.gz YELJUWFWGKFCFN-LLVKDONJSA-N 1 2 278.352 1.647 20 10 CDCDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCO1 ZINC000278591109 522747732 /nfs/dbraw/zinc/74/77/32/522747732.db2.gz GYEMRFQJSCGUCX-GXTWGEPZSA-N 1 2 296.323 1.584 20 10 CDCDLO COC(=O)[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000037073981 523885319 /nfs/dbraw/zinc/88/53/19/523885319.db2.gz UWMPCXGOQCUURT-BDAKNGLRSA-N 1 2 253.298 1.613 20 10 CDCDLO O=S1(=O)CC[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124683075 527307483 /nfs/dbraw/zinc/30/74/83/527307483.db2.gz MELKZVBDSMNTSW-VIFPVBQESA-N 1 2 289.784 1.570 20 10 CDCDLO CCN(C)c1ccc(C[N@H+](C)CC(=O)OC)cc1 ZINC000773733318 575836759 /nfs/dbraw/zinc/83/67/59/575836759.db2.gz IXHSNFPKQOCJOQ-UHFFFAOYSA-N 1 2 250.342 1.748 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+](C)CC(=O)OC)cc1 ZINC000773733318 575836762 /nfs/dbraw/zinc/83/67/62/575836762.db2.gz IXHSNFPKQOCJOQ-UHFFFAOYSA-N 1 2 250.342 1.748 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1O ZINC000756524453 576993721 /nfs/dbraw/zinc/99/37/21/576993721.db2.gz FTMNVAOKHOWCDG-VXNVDRBHSA-N 1 2 270.279 1.552 20 10 CDCDLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cc([N+](=O)[O-])ccc1O ZINC000756555318 576995422 /nfs/dbraw/zinc/99/54/22/576995422.db2.gz SCBRFVCQAZIAGV-MRVPVSSYSA-N 1 2 262.269 1.874 20 10 CDCDLO Cc1cc(O)c(C[NH+]2CC(OCC(=O)N(C)C)C2)cc1C ZINC000751944580 577076621 /nfs/dbraw/zinc/07/66/21/577076621.db2.gz VLAFUYJOUVMBFK-UHFFFAOYSA-N 1 2 292.379 1.298 20 10 CDCDLO COc1cccc(CNc2cc(N(C)C)nc[nH+]2)c1O ZINC000892288881 617700695 /nfs/dbraw/zinc/70/06/95/617700695.db2.gz YDXMTSBRHYZMOS-UHFFFAOYSA-N 1 2 274.324 1.869 20 10 CDCDLO COc1cccc(CNc2cc(N(C)C)[nH+]cn2)c1O ZINC000892288881 617700702 /nfs/dbraw/zinc/70/07/02/617700702.db2.gz YDXMTSBRHYZMOS-UHFFFAOYSA-N 1 2 274.324 1.869 20 10 CDCDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(N)cc1 ZINC000841300783 619736388 /nfs/dbraw/zinc/73/63/88/619736388.db2.gz UUOOAYSIHKHNEW-NSHDSACASA-N 1 2 278.356 1.111 20 10 CDCDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(N)cc1 ZINC000841300783 619736390 /nfs/dbraw/zinc/73/63/90/619736390.db2.gz UUOOAYSIHKHNEW-NSHDSACASA-N 1 2 278.356 1.111 20 10 CDCDLO CN1CC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000896593968 620160569 /nfs/dbraw/zinc/16/05/69/620160569.db2.gz DHTPXTNBRONNRR-SNVBAGLBSA-N 1 2 258.724 1.978 20 10 CDCDLO COc1ccc(N2CC[NH+](Cn3cnnc3)CC2)cc1 ZINC000182568414 823723416 /nfs/dbraw/zinc/72/34/16/823723416.db2.gz MESWLVOUNZEANG-UHFFFAOYSA-N 1 2 273.340 1.066 20 10 CDCDLO COc1cc(O)c(C[N@H+](C)Cc2cnc[nH]2)cc1OC ZINC000826769575 828524175 /nfs/dbraw/zinc/52/41/75/828524175.db2.gz NQNKPXMCDVFLPV-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO COc1cc(O)c(C[N@@H+](C)Cc2cnc[nH]2)cc1OC ZINC000826769575 828524192 /nfs/dbraw/zinc/52/41/92/828524192.db2.gz NQNKPXMCDVFLPV-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO COc1cc(O)c(C[N@H+](C)Cc2c[nH]cn2)cc1OC ZINC000826769575 828524199 /nfs/dbraw/zinc/52/41/99/828524199.db2.gz NQNKPXMCDVFLPV-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO COc1cc(O)c(C[N@@H+](C)Cc2c[nH]cn2)cc1OC ZINC000826769575 828524201 /nfs/dbraw/zinc/52/42/01/828524201.db2.gz NQNKPXMCDVFLPV-UHFFFAOYSA-N 1 2 277.324 1.765 20 10 CDCDLO OC[C@@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140579850 1167050877 /nfs/dbraw/zinc/05/08/77/1167050877.db2.gz JEVQORQBAZLGOP-SECBINFHSA-N 1 2 257.280 1.875 20 10 CDCDLO OC[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140579850 1167050883 /nfs/dbraw/zinc/05/08/83/1167050883.db2.gz JEVQORQBAZLGOP-SECBINFHSA-N 1 2 257.280 1.875 20 10 CDCDLO OC[C@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140579851 1167051969 /nfs/dbraw/zinc/05/19/69/1167051969.db2.gz JEVQORQBAZLGOP-VIFPVBQESA-N 1 2 257.280 1.875 20 10 CDCDLO OC[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140579851 1167051979 /nfs/dbraw/zinc/05/19/79/1167051979.db2.gz JEVQORQBAZLGOP-VIFPVBQESA-N 1 2 257.280 1.875 20 10 CDCDLO Cc1n[nH]c(CC[NH2+]Cc2c(O)ccc(Cl)c2F)n1 ZINC000790982762 828542261 /nfs/dbraw/zinc/54/22/61/828542261.db2.gz YJSPKWNZXHOOIO-UHFFFAOYSA-N 1 2 284.722 1.944 20 10 CDCDLO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000825067716 825255191 /nfs/dbraw/zinc/25/51/91/825255191.db2.gz DWWCWMXXCLRGTP-ZETCQYMHSA-N 1 2 274.723 1.799 20 10 CDCDLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)c1ccccc1O ZINC000868623608 825908973 /nfs/dbraw/zinc/90/89/73/825908973.db2.gz KKXVNLLCIWCGRA-SNVBAGLBSA-N 1 2 274.324 1.686 20 10 CDCDLO CCc1cccc(C[N@H+](CCOC)CC(=O)OC)c1O ZINC000848887412 827165511 /nfs/dbraw/zinc/16/55/11/827165511.db2.gz VWEVKIVCQZSVFR-UHFFFAOYSA-N 1 2 281.352 1.576 20 10 CDCDLO CCc1cccc(C[N@@H+](CCOC)CC(=O)OC)c1O ZINC000848887412 827165517 /nfs/dbraw/zinc/16/55/17/827165517.db2.gz VWEVKIVCQZSVFR-UHFFFAOYSA-N 1 2 281.352 1.576 20 10 CDCDLO CCNC(=O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000777444592 827216825 /nfs/dbraw/zinc/21/68/25/827216825.db2.gz OHPAIZRLRZUCLH-UHFFFAOYSA-N 1 2 260.696 1.410 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]CCCn1cncn1 ZINC000382036083 827894999 /nfs/dbraw/zinc/89/49/99/827894999.db2.gz TVGHNHBUTVFMGG-UHFFFAOYSA-N 1 2 266.732 1.817 20 10 CDCDLO COC(=O)N1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233010215 912671676 /nfs/dbraw/zinc/67/16/76/912671676.db2.gz NLNFJVWJRHGLIB-UHFFFAOYSA-N 1 2 296.323 1.078 20 10 CDCDLO COC(=O)N1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233010215 912671694 /nfs/dbraw/zinc/67/16/94/912671694.db2.gz NLNFJVWJRHGLIB-UHFFFAOYSA-N 1 2 296.323 1.078 20 10 CDCDLO COc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1Cl ZINC001236801191 916467672 /nfs/dbraw/zinc/46/76/72/916467672.db2.gz HEUBWIYBIVEGGB-ZJUUUORDSA-N 1 2 289.734 1.959 20 10 CDCDLO COc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1Cl ZINC001236801191 916467677 /nfs/dbraw/zinc/46/76/77/916467677.db2.gz HEUBWIYBIVEGGB-ZJUUUORDSA-N 1 2 289.734 1.959 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CC[C@@H]1O ZINC001140582247 936726926 /nfs/dbraw/zinc/72/69/26/936726926.db2.gz FQORWVYXOURLAL-PELKAZGASA-N 1 2 257.280 1.873 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@@H]1O ZINC001140582247 936726928 /nfs/dbraw/zinc/72/69/28/936726928.db2.gz FQORWVYXOURLAL-PELKAZGASA-N 1 2 257.280 1.873 20 10 CDCDLO Cc1c(O)ccc(C[N@H+]2CCN(C(C)C)C(=O)C2)c1O ZINC001140747833 936749886 /nfs/dbraw/zinc/74/98/86/936749886.db2.gz MRFKODFJRCMMCS-UHFFFAOYSA-N 1 2 278.352 1.459 20 10 CDCDLO Cc1c(O)ccc(C[N@@H+]2CCN(C(C)C)C(=O)C2)c1O ZINC001140747833 936749888 /nfs/dbraw/zinc/74/98/88/936749888.db2.gz MRFKODFJRCMMCS-UHFFFAOYSA-N 1 2 278.352 1.459 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c(OC)c1 ZINC001141031283 936794896 /nfs/dbraw/zinc/79/48/96/936794896.db2.gz BHAGOKSZGZGTSF-VXGBXAGGSA-N 1 2 285.315 1.314 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c(OC)c1 ZINC001141031283 936794898 /nfs/dbraw/zinc/79/48/98/936794898.db2.gz BHAGOKSZGZGTSF-VXGBXAGGSA-N 1 2 285.315 1.314 20 10 CDCDLO CN(Cc1cc(F)c(F)cc1O)[C@H]1CC[N@H+](C)C1 ZINC001142524713 937027725 /nfs/dbraw/zinc/02/77/25/937027725.db2.gz HVQUSNYQPFMPOZ-JTQLQIEISA-N 1 2 256.296 1.806 20 10 CDCDLO CN(Cc1cc(F)c(F)cc1O)[C@H]1CC[N@@H+](C)C1 ZINC001142524713 937027727 /nfs/dbraw/zinc/02/77/27/937027727.db2.gz HVQUSNYQPFMPOZ-JTQLQIEISA-N 1 2 256.296 1.806 20 10 CDCDLO CN1CC[C@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C1 ZINC001142524713 937027728 /nfs/dbraw/zinc/02/77/28/937027728.db2.gz HVQUSNYQPFMPOZ-JTQLQIEISA-N 1 2 256.296 1.806 20 10 CDCDLO CN1CC[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C1 ZINC001142524713 937027730 /nfs/dbraw/zinc/02/77/30/937027730.db2.gz HVQUSNYQPFMPOZ-JTQLQIEISA-N 1 2 256.296 1.806 20 10 CDCDLO C[C@]1(CO)C[N@H+](Cc2cc(F)c(F)cc2O)CC[C@@H]1O ZINC001142508870 937025055 /nfs/dbraw/zinc/02/50/55/937025055.db2.gz OLULNTWXSYMYSA-UONOGXRCSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@]1(CO)C[N@@H+](Cc2cc(F)c(F)cc2O)CC[C@@H]1O ZINC001142508870 937025058 /nfs/dbraw/zinc/02/50/58/937025058.db2.gz OLULNTWXSYMYSA-UONOGXRCSA-N 1 2 287.306 1.236 20 10 CDCDLO CCC[NH2+]CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817963300 930646869 /nfs/dbraw/zinc/64/68/69/930646869.db2.gz TWQYNHVPMLSLMF-JTQLQIEISA-N 1 2 267.329 1.951 20 10 CDCDLO CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(F)c(F)c2O)C1=O ZINC001274030671 931130520 /nfs/dbraw/zinc/13/05/20/931130520.db2.gz UJCJCVNSYYLVAD-HNNXBMFYSA-N 1 2 296.317 1.867 20 10 CDCDLO CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(F)c(F)c2O)C1=O ZINC001274030671 931130525 /nfs/dbraw/zinc/13/05/25/931130525.db2.gz UJCJCVNSYYLVAD-HNNXBMFYSA-N 1 2 296.317 1.867 20 10 CDCDLO COCc1cc[nH+]c(NCCc2cc(O)c(O)cc2O)c1 ZINC001157239426 938468549 /nfs/dbraw/zinc/46/85/49/938468549.db2.gz BCXPAXVBSFSIFA-UHFFFAOYSA-N 1 2 290.319 1.999 20 10 CDCDLO COc1ccc[nH+]c1NCCc1cc(O)c(O)cc1O ZINC001157239992 938468832 /nfs/dbraw/zinc/46/88/32/938468832.db2.gz NYCSKDSJLIADHV-UHFFFAOYSA-N 1 2 276.292 1.862 20 10 CDCDLO Oc1ccc(C[NH+]2CCN(c3nccs3)CC2)cc1O ZINC001203875379 939710310 /nfs/dbraw/zinc/71/03/10/939710310.db2.gz NAKKQOPRPKLMOQ-UHFFFAOYSA-N 1 2 291.376 1.877 20 10 CDCDLO CCc1nnc(C[NH2+]Cc2ccc(OC)cc2O)o1 ZINC001217719211 941010105 /nfs/dbraw/zinc/01/01/05/941010105.db2.gz XSAKBDNLPRTZKX-UHFFFAOYSA-N 1 2 263.297 1.636 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCNC(=O)CC2)cc1Cl ZINC001232266239 943194138 /nfs/dbraw/zinc/19/41/38/943194138.db2.gz SHSDQFWYCDPTOX-UHFFFAOYSA-N 1 2 284.743 1.376 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCNC(=O)CC2)cc1Cl ZINC001232266239 943194142 /nfs/dbraw/zinc/19/41/42/943194142.db2.gz SHSDQFWYCDPTOX-UHFFFAOYSA-N 1 2 284.743 1.376 20 10 CDCDLO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCNC(=O)C2)c1 ZINC001233283701 943529908 /nfs/dbraw/zinc/52/99/08/943529908.db2.gz RWJIBVWEXONXNL-UHFFFAOYSA-N 1 2 262.353 1.622 20 10 CDCDLO CC(C)(C)c1ccc(O)c(C[N@H+]2CCNC(=O)C2)c1 ZINC001233283701 943529909 /nfs/dbraw/zinc/52/99/09/943529909.db2.gz RWJIBVWEXONXNL-UHFFFAOYSA-N 1 2 262.353 1.622 20 10 CDCDLO C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)C[C@H]1O ZINC001237807328 944959179 /nfs/dbraw/zinc/95/91/79/944959179.db2.gz HVGXYIWTMUWOSR-WRWORJQWSA-N 1 2 259.708 1.997 20 10 CDCDLO COc1ccc(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1C ZINC001339254125 962271924 /nfs/dbraw/zinc/27/19/24/962271924.db2.gz HLHMCFBHGBDNLT-ZDUSSCGKSA-N 1 2 289.335 1.512 20 10 CDCDLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(Cl)c1O ZINC000179921099 357231201 /nfs/dbraw/zinc/23/12/01/357231201.db2.gz FECBECRXNVTVDG-QMMMGPOBSA-N 1 2 254.717 1.366 20 10 CDCDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000179921099 357231203 /nfs/dbraw/zinc/23/12/03/357231203.db2.gz FECBECRXNVTVDG-QMMMGPOBSA-N 1 2 254.717 1.366 20 10 CDCDLO CC(=O)NC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000180283869 357257936 /nfs/dbraw/zinc/25/79/36/357257936.db2.gz JJSISJAGUOLISD-LBPRGKRZSA-N 1 2 298.770 1.383 20 10 CDCDLO CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000180283869 357257941 /nfs/dbraw/zinc/25/79/41/357257941.db2.gz JJSISJAGUOLISD-LBPRGKRZSA-N 1 2 298.770 1.383 20 10 CDCDLO C[C@H](O)CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000189860474 358042946 /nfs/dbraw/zinc/04/29/46/358042946.db2.gz FBKXZBPYZCONDC-NSHDSACASA-N 1 2 268.332 1.030 20 10 CDCDLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000273429303 299303448 /nfs/dbraw/zinc/30/34/48/299303448.db2.gz VFLKYYKEMUQFQO-QUBYGPBYSA-N 1 2 294.229 1.874 20 10 CDCDLO COC[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1O)OC ZINC000272682695 365350188 /nfs/dbraw/zinc/35/01/88/365350188.db2.gz NMJYGQINBMHOSR-LLVKDONJSA-N 1 2 270.285 1.051 20 10 CDCDLO CCOc1ccc(O)c(C[NH2+][C@]2(C)CCOC2=O)c1 ZINC000289888000 263112764 /nfs/dbraw/zinc/11/27/64/263112764.db2.gz SKKCUGHFZXCACE-CQSZACIVSA-N 1 2 265.309 1.586 20 10 CDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc(OC)c1O ZINC000280943522 523877347 /nfs/dbraw/zinc/87/73/47/523877347.db2.gz SQWXDOHVWJNNEK-VIFPVBQESA-N 1 2 253.298 1.394 20 10 CDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000280943522 523877349 /nfs/dbraw/zinc/87/73/49/523877349.db2.gz SQWXDOHVWJNNEK-VIFPVBQESA-N 1 2 253.298 1.394 20 10 CDCDLO O=C(c1cccc(O)c1O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000280398181 526771983 /nfs/dbraw/zinc/77/19/83/526771983.db2.gz GEDQLOKSVJYVEF-JTQLQIEISA-N 1 2 287.319 1.841 20 10 CDCDLO Nc1ccc(CC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000262672637 527476936 /nfs/dbraw/zinc/47/69/36/527476936.db2.gz SFNRQEZWNFNZFH-UHFFFAOYSA-N 1 2 284.363 1.825 20 10 CDCDLO CCOCC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726562803 574501017 /nfs/dbraw/zinc/50/10/17/574501017.db2.gz WEIQHBGZLCQODE-UHFFFAOYSA-N 1 2 292.379 1.817 20 10 CDCDLO CCNC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726610629 574502237 /nfs/dbraw/zinc/50/22/37/574502237.db2.gz MVGFLQAANUPQQE-UHFFFAOYSA-N 1 2 277.368 1.983 20 10 CDCDLO Cc1cc(N(C)C)ccc1CNC(=O)CCn1cc[nH+]c1 ZINC000734406506 575343013 /nfs/dbraw/zinc/34/30/13/575343013.db2.gz YIUGOBUIPBVTMF-UHFFFAOYSA-N 1 2 286.379 1.964 20 10 CDCDLO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000760041242 576454135 /nfs/dbraw/zinc/45/41/35/576454135.db2.gz XIETWLFTAWTHJL-HTQZYQBOSA-N 1 2 290.266 1.967 20 10 CDCDLO CC(C)OCC[NH+]1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000748393520 576910538 /nfs/dbraw/zinc/91/05/38/576910538.db2.gz ADHAUKBVGKSRFC-UHFFFAOYSA-N 1 2 298.408 1.637 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000756638798 576998113 /nfs/dbraw/zinc/99/81/13/576998113.db2.gz RUNHNBRIRPJVMY-SKDRFNHKSA-N 1 2 293.323 1.572 20 10 CDCDLO Cn1c[nH+]cc1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000752951791 577136407 /nfs/dbraw/zinc/13/64/07/577136407.db2.gz JXZSJUZVKDDNRV-HYXAFXHYSA-N 1 2 273.292 1.161 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000894456492 618894653 /nfs/dbraw/zinc/89/46/53/618894653.db2.gz RMFZYJGRYQQWME-GFCCVEGCSA-N 1 2 284.306 1.187 20 10 CDCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000894456492 618894656 /nfs/dbraw/zinc/89/46/56/618894656.db2.gz RMFZYJGRYQQWME-GFCCVEGCSA-N 1 2 284.306 1.187 20 10 CDCDLO CC[N@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCNC1=O ZINC000894664707 619007624 /nfs/dbraw/zinc/00/76/24/619007624.db2.gz YZPWOZPALBWHHL-LLVKDONJSA-N 1 2 270.279 1.381 20 10 CDCDLO CC[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCNC1=O ZINC000894664707 619007625 /nfs/dbraw/zinc/00/76/25/619007625.db2.gz YZPWOZPALBWHHL-LLVKDONJSA-N 1 2 270.279 1.381 20 10 CDCDLO O=C1CC[C@H]2C[N@H+](Cc3cc(F)cc(F)c3O)CC[C@@H]2N1 ZINC000895258301 619502169 /nfs/dbraw/zinc/50/21/69/619502169.db2.gz BYOWZGUFJOJEPU-ZANVPECISA-N 1 2 296.317 1.771 20 10 CDCDLO O=C1CC[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)CC[C@@H]2N1 ZINC000895258301 619502171 /nfs/dbraw/zinc/50/21/71/619502171.db2.gz BYOWZGUFJOJEPU-ZANVPECISA-N 1 2 296.317 1.771 20 10 CDCDLO C[C@H]([NH2+]C1CCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589957696 1173211037 /nfs/dbraw/zinc/21/10/37/1173211037.db2.gz SDZZGKZCVAAVTH-QMMMGPOBSA-N 1 2 259.313 1.775 20 10 CDCDLO CCc1cccc(C[NH+]2CC(OCC(=O)N(C)C)C2)c1O ZINC000848917822 833046771 /nfs/dbraw/zinc/04/67/71/833046771.db2.gz XTJNKDKGDVJVRL-UHFFFAOYSA-N 1 2 292.379 1.244 20 10 CDCDLO C[N@H+](Cc1c(O)cccc1Br)[C@H]1CCNC1=O ZINC000862252859 828999805 /nfs/dbraw/zinc/99/98/05/828999805.db2.gz HZDASNRLHWWEBI-JTQLQIEISA-N 1 2 299.168 1.475 20 10 CDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000123668698 833382037 /nfs/dbraw/zinc/38/20/37/833382037.db2.gz GOYYCIZYDZTAKD-ZDUSSCGKSA-N 1 2 292.379 1.517 20 10 CDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000123668698 833382040 /nfs/dbraw/zinc/38/20/40/833382040.db2.gz GOYYCIZYDZTAKD-ZDUSSCGKSA-N 1 2 292.379 1.517 20 10 CDCDLO COc1cccc(C[NH+]2CC(OC(F)F)C2)c1O ZINC000839142515 829420507 /nfs/dbraw/zinc/42/05/07/829420507.db2.gz AMHRHWVPERGRRX-UHFFFAOYSA-N 1 2 259.252 1.824 20 10 CDCDLO CCCC[N@H+](Cc1nnnn1C)Cc1ccccc1O ZINC000801596973 829854462 /nfs/dbraw/zinc/85/44/62/829854462.db2.gz VWNKKHXZEVAMCP-UHFFFAOYSA-N 1 2 275.356 1.718 20 10 CDCDLO CCCC[N@@H+](Cc1nnnn1C)Cc1ccccc1O ZINC000801596973 829854466 /nfs/dbraw/zinc/85/44/66/829854466.db2.gz VWNKKHXZEVAMCP-UHFFFAOYSA-N 1 2 275.356 1.718 20 10 CDCDLO CC1(C)CNC(=O)C[N@@H+]1Cc1cc(F)ccc1O ZINC000800539257 829868794 /nfs/dbraw/zinc/86/87/94/829868794.db2.gz UBUWRSJMDBZZGJ-UHFFFAOYSA-N 1 2 252.289 1.242 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000862754749 829903459 /nfs/dbraw/zinc/90/34/59/829903459.db2.gz IYLYPLCCVQSKLY-LBPRGKRZSA-N 1 2 285.347 1.776 20 10 CDCDLO COc1ccc(O)c([C@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000806791671 830147355 /nfs/dbraw/zinc/14/73/55/830147355.db2.gz GPMRLIPIRLLODY-JTQLQIEISA-N 1 2 289.335 1.934 20 10 CDCDLO CCN1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CC1=O ZINC000824887432 834418468 /nfs/dbraw/zinc/41/84/68/834418468.db2.gz XLGBLPWPALARSR-SNVBAGLBSA-N 1 2 286.734 1.895 20 10 CDCDLO COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000822426765 834867442 /nfs/dbraw/zinc/86/74/42/834867442.db2.gz UQHDNIROEWDVCE-UHFFFAOYSA-N 1 2 298.408 1.637 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCC2(C1)OCCO2 ZINC001233334278 912784781 /nfs/dbraw/zinc/78/47/81/912784781.db2.gz AHVGUFPSXBREFP-UHFFFAOYSA-N 1 2 271.263 1.619 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCC2(C1)OCCO2 ZINC001233334278 912784797 /nfs/dbraw/zinc/78/47/97/912784797.db2.gz AHVGUFPSXBREFP-UHFFFAOYSA-N 1 2 271.263 1.619 20 10 CDCDLO CC1(C)CN(C2C[NH+](Cc3cccc(F)c3O)C2)CCO1 ZINC001138128579 936475873 /nfs/dbraw/zinc/47/58/73/936475873.db2.gz SHIPIQCFEWUXNO-UHFFFAOYSA-N 1 2 294.370 1.826 20 10 CDCDLO CCN1CC[N@H+](Cc2ccc3c(c2)CCCN3C)CC1=O ZINC001138356326 936526110 /nfs/dbraw/zinc/52/61/10/936526110.db2.gz KXIUEDFMZLVVHU-UHFFFAOYSA-N 1 2 287.407 1.733 20 10 CDCDLO CCN1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)CC1=O ZINC001138356326 936526111 /nfs/dbraw/zinc/52/61/11/936526111.db2.gz KXIUEDFMZLVVHU-UHFFFAOYSA-N 1 2 287.407 1.733 20 10 CDCDLO [NH3+][C@H]1CN(Cc2c(O)cccc2F)CCC1(F)F ZINC001206657022 937657725 /nfs/dbraw/zinc/65/77/25/937657725.db2.gz OCPRCBZPLYFRAN-NSHDSACASA-N 1 2 260.259 1.700 20 10 CDCDLO COc1ccc(C[N@@H+]2CCO[C@@H](C(C)=O)C2)c(O)c1 ZINC001203635377 939698981 /nfs/dbraw/zinc/69/89/81/939698981.db2.gz RTEMAUFHBLJQQG-CQSZACIVSA-N 1 2 265.309 1.191 20 10 CDCDLO COc1ccc(C[N@H+]2CCO[C@@H](C(C)=O)C2)c(O)c1 ZINC001203635377 939698982 /nfs/dbraw/zinc/69/89/82/939698982.db2.gz RTEMAUFHBLJQQG-CQSZACIVSA-N 1 2 265.309 1.191 20 10 CDCDLO Oc1cccc(F)c1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222675436 941624890 /nfs/dbraw/zinc/62/48/90/941624890.db2.gz ZMWWMXDGFFKCNS-MRXNPFEDSA-N 1 2 293.386 1.449 20 10 CDCDLO COc1cc(C[N@H+]2CCC(=O)[C@@H](F)CC2)c(O)cc1O ZINC001231634074 942950201 /nfs/dbraw/zinc/95/02/01/942950201.db2.gz HMPONZUCQRVILT-JTQLQIEISA-N 1 2 283.299 1.609 20 10 CDCDLO COc1cc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)c(O)cc1O ZINC001231634074 942950205 /nfs/dbraw/zinc/95/02/05/942950205.db2.gz HMPONZUCQRVILT-JTQLQIEISA-N 1 2 283.299 1.609 20 10 CDCDLO Cc1cc(C)c(C[N@@H+]2CCn3nncc3C2)c(O)c1 ZINC001231846151 943026399 /nfs/dbraw/zinc/02/63/99/943026399.db2.gz CCUACYKRGIKASF-UHFFFAOYSA-N 1 2 258.325 1.616 20 10 CDCDLO Cc1cc(C)c(C[N@H+]2CCn3nncc3C2)c(O)c1 ZINC001231846151 943026406 /nfs/dbraw/zinc/02/64/06/943026406.db2.gz CCUACYKRGIKASF-UHFFFAOYSA-N 1 2 258.325 1.616 20 10 CDCDLO C[C@]1(O)COCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231910295 943038284 /nfs/dbraw/zinc/03/82/84/943038284.db2.gz LAMAAJYLCNRMPZ-CYBMUJFWSA-N 1 2 271.744 1.629 20 10 CDCDLO C[C@]1(O)COCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231910295 943038291 /nfs/dbraw/zinc/03/82/91/943038291.db2.gz LAMAAJYLCNRMPZ-CYBMUJFWSA-N 1 2 271.744 1.629 20 10 CDCDLO CN(C)CC[N@@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232258522 943189956 /nfs/dbraw/zinc/18/99/56/943189956.db2.gz JQZLHPTUMXDCLH-UHFFFAOYSA-N 1 2 258.749 1.745 20 10 CDCDLO CN(C)CC[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232258522 943189954 /nfs/dbraw/zinc/18/99/54/943189954.db2.gz JQZLHPTUMXDCLH-UHFFFAOYSA-N 1 2 258.749 1.745 20 10 CDCDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c(O)ccc(F)c3F)C[C@@H]21 ZINC001233335355 943549351 /nfs/dbraw/zinc/54/93/51/943549351.db2.gz RNQZVNPECVSYHR-JDICNCQASA-N 1 2 283.274 1.521 20 10 CDCDLO COc1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c(O)c1Cl ZINC001236807547 944576273 /nfs/dbraw/zinc/57/62/73/944576273.db2.gz QGWUZWDVHJQZTQ-QWRGUYRKSA-N 1 2 282.771 1.943 20 10 CDCDLO COc1ccc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c(O)c1Cl ZINC001236807547 944576278 /nfs/dbraw/zinc/57/62/78/944576278.db2.gz QGWUZWDVHJQZTQ-QWRGUYRKSA-N 1 2 282.771 1.943 20 10 CDCDLO COc1cc(C[NH+]2CC(N(C)C(C)=O)C2)c(O)c(OC)c1 ZINC001237676624 944919679 /nfs/dbraw/zinc/91/96/79/944919679.db2.gz QVEFXBBEJBHBGQ-UHFFFAOYSA-N 1 2 294.351 1.072 20 10 CDCDLO O=C(NCc1cccc(O)c1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001347541727 965579343 /nfs/dbraw/zinc/57/93/43/965579343.db2.gz HHKSLNQFARZWJT-JTQLQIEISA-N 1 2 287.319 1.173 20 10 CDCDLO O=C(NCC[N@H+]1CC=CCC1)c1c(F)ccc(O)c1O ZINC000295051317 199320920 /nfs/dbraw/zinc/32/09/20/199320920.db2.gz BEIXAVWZANHVEY-UHFFFAOYSA-N 1 2 280.299 1.229 20 10 CDCDLO O=C(NCC[N@@H+]1CC=CCC1)c1c(F)ccc(O)c1O ZINC000295051317 199320922 /nfs/dbraw/zinc/32/09/22/199320922.db2.gz BEIXAVWZANHVEY-UHFFFAOYSA-N 1 2 280.299 1.229 20 10 CDCDLO COC(=O)C(C)(C)[NH2+]Cc1cccc(OC)c1O ZINC000037085530 356900924 /nfs/dbraw/zinc/90/09/24/356900924.db2.gz XYMHUPJIHDRCAU-UHFFFAOYSA-N 1 2 253.298 1.442 20 10 CDCDLO CCC[N@H+](CC(=O)OC)Cc1cc2c(cc1O)OCO2 ZINC000298985293 356963170 /nfs/dbraw/zinc/96/31/70/356963170.db2.gz JWZSLSJBOIEOFL-UHFFFAOYSA-N 1 2 281.308 1.506 20 10 CDCDLO CCC[N@@H+](CC(=O)OC)Cc1cc2c(cc1O)OCO2 ZINC000298985293 356963171 /nfs/dbraw/zinc/96/31/71/356963171.db2.gz JWZSLSJBOIEOFL-UHFFFAOYSA-N 1 2 281.308 1.506 20 10 CDCDLO COCC[N@H+](Cc1cccc(Cl)c1O)[C@@H](C)C(N)=O ZINC000180072785 357242474 /nfs/dbraw/zinc/24/24/74/357242474.db2.gz TURKWZNKAYYKNP-VIFPVBQESA-N 1 2 286.759 1.368 20 10 CDCDLO COCC[N@@H+](Cc1cccc(Cl)c1O)[C@@H](C)C(N)=O ZINC000180072785 357242477 /nfs/dbraw/zinc/24/24/77/357242477.db2.gz TURKWZNKAYYKNP-VIFPVBQESA-N 1 2 286.759 1.368 20 10 CDCDLO COc1ccc(N2CC[NH+](CC(=O)NC(C)C)CC2)cc1 ZINC000058126839 357378404 /nfs/dbraw/zinc/37/84/04/357378404.db2.gz KVBYQNBISJOMCR-UHFFFAOYSA-N 1 2 291.395 1.342 20 10 CDCDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(O)c1O ZINC000185886114 357589239 /nfs/dbraw/zinc/58/92/39/357589239.db2.gz ICPQKWABXIRCNL-LLVKDONJSA-N 1 2 299.330 1.502 20 10 CDCDLO Cn1ncc(CCC[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000293629502 370720829 /nfs/dbraw/zinc/72/08/29/370720829.db2.gz LIOXZWZLGOSUNO-UHFFFAOYSA-N 1 2 280.759 1.897 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCN(C(C)C)C(=O)C2)c1O ZINC000272580417 365302456 /nfs/dbraw/zinc/30/24/56/365302456.db2.gz XVFIDYHVQIDRJY-UHFFFAOYSA-N 1 2 292.379 1.844 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCN(C(C)C)C(=O)C2)c1O ZINC000272580417 365302462 /nfs/dbraw/zinc/30/24/62/365302462.db2.gz XVFIDYHVQIDRJY-UHFFFAOYSA-N 1 2 292.379 1.844 20 10 CDCDLO C[C@@H]([NH2+]CC1(C)OCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000273347124 365487077 /nfs/dbraw/zinc/48/70/77/365487077.db2.gz AZHXZQLQFZIRPY-SECBINFHSA-N 1 2 282.296 1.714 20 10 CDCDLO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000195016143 391373885 /nfs/dbraw/zinc/37/38/85/391373885.db2.gz FEWRSQHUEKSVGQ-CQSZACIVSA-N 1 2 267.300 1.523 20 10 CDCDLO Oc1ccc(F)cc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000195016143 391373887 /nfs/dbraw/zinc/37/38/87/391373887.db2.gz FEWRSQHUEKSVGQ-CQSZACIVSA-N 1 2 267.300 1.523 20 10 CDCDLO CC[C@H]([NH2+]Cc1nncn1C)c1ccc(F)cc1O ZINC000285703328 288051266 /nfs/dbraw/zinc/05/12/66/288051266.db2.gz PFHDVTCDQLBCAA-NSHDSACASA-N 1 2 264.304 1.901 20 10 CDCDLO CCN(C)C(=O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000274825339 520175312 /nfs/dbraw/zinc/17/53/12/520175312.db2.gz ZPBHYSUPHOSHIO-VIFPVBQESA-N 1 2 281.312 1.429 20 10 CDCDLO CCOC(=O)[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000049368842 521208338 /nfs/dbraw/zinc/20/83/38/521208338.db2.gz NTVPVMXYEBDGET-VIFPVBQESA-N 1 2 253.298 1.442 20 10 CDCDLO COc1c(O)c(C[N@H+](C)Cc2ccon2)ccc1[N+](=O)[O-] ZINC000278192327 521868742 /nfs/dbraw/zinc/86/87/42/521868742.db2.gz ICZSRMUIMDJOPW-UHFFFAOYSA-N 1 2 293.279 1.929 20 10 CDCDLO COc1c(O)c(C[N@@H+](C)Cc2ccon2)ccc1[N+](=O)[O-] ZINC000278192327 521868750 /nfs/dbraw/zinc/86/87/50/521868750.db2.gz ICZSRMUIMDJOPW-UHFFFAOYSA-N 1 2 293.279 1.929 20 10 CDCDLO COc1ccc(O)c(CN2CCn3c[nH+]cc3C2)c1 ZINC000367940118 524747895 /nfs/dbraw/zinc/74/78/95/524747895.db2.gz BSDNZXAWUDKHHP-UHFFFAOYSA-N 1 2 259.309 1.613 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CCn3cncc3C2)c1 ZINC000367940118 524747901 /nfs/dbraw/zinc/74/79/01/524747901.db2.gz BSDNZXAWUDKHHP-UHFFFAOYSA-N 1 2 259.309 1.613 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CCn3cncc3C2)c1 ZINC000367940118 524747914 /nfs/dbraw/zinc/74/79/14/524747914.db2.gz BSDNZXAWUDKHHP-UHFFFAOYSA-N 1 2 259.309 1.613 20 10 CDCDLO Oc1cccc(Cl)c1C[NH2+]Cc1nnnn1CC1CC1 ZINC000769937702 575399459 /nfs/dbraw/zinc/39/94/59/575399459.db2.gz ZERNITWUQIBDAJ-UHFFFAOYSA-N 1 2 293.758 1.732 20 10 CDCDLO CCCN1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768137904 576260437 /nfs/dbraw/zinc/26/04/37/576260437.db2.gz OBTUGJHWNLNDCL-UHFFFAOYSA-N 1 2 264.369 1.928 20 10 CDCDLO CC[N@@H+]1CCN(C(=O)C2=CC(=O)CS2)C[C@H]1C ZINC000754516850 576899621 /nfs/dbraw/zinc/89/96/21/576899621.db2.gz YUCFBXMXBVWAFD-SECBINFHSA-N 1 2 254.355 1.620 20 10 CDCDLO CC[N@H+]1CCN(C(=O)C2=CC(=O)CS2)C[C@H]1C ZINC000754516850 576899622 /nfs/dbraw/zinc/89/96/22/576899622.db2.gz YUCFBXMXBVWAFD-SECBINFHSA-N 1 2 254.355 1.620 20 10 CDCDLO CC(C)[N@H+](Cc1nnnn1C)Cc1ccc(N(C)C)cc1 ZINC000750283600 576983836 /nfs/dbraw/zinc/98/38/36/576983836.db2.gz GALQLSFPEBQSJK-UHFFFAOYSA-N 1 2 288.399 1.687 20 10 CDCDLO CC(C)[N@@H+](Cc1nnnn1C)Cc1ccc(N(C)C)cc1 ZINC000750283600 576983837 /nfs/dbraw/zinc/98/38/37/576983837.db2.gz GALQLSFPEBQSJK-UHFFFAOYSA-N 1 2 288.399 1.687 20 10 CDCDLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756458712 576990980 /nfs/dbraw/zinc/99/09/80/576990980.db2.gz UKJZXJBVHGGWCK-JTQLQIEISA-N 1 2 295.339 1.819 20 10 CDCDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1cc(F)cc(F)c1O ZINC000756779804 577004310 /nfs/dbraw/zinc/00/43/10/577004310.db2.gz MIDISVMWRCDCIC-SSDOTTSWSA-N 1 2 268.267 1.650 20 10 CDCDLO COC[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)OC ZINC000757636898 577047423 /nfs/dbraw/zinc/04/74/23/577047423.db2.gz HILPQIFMQDRHAY-WCBMZHEXSA-N 1 2 275.295 1.982 20 10 CDCDLO COc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)c(O)c1OC ZINC000891932065 617791504 /nfs/dbraw/zinc/79/15/04/617791504.db2.gz RUPJVUZCUAUVFS-UHFFFAOYSA-N 1 2 294.351 1.120 20 10 CDCDLO COc1ccc(C[N@H+]2CCNC(=O)C2(C)C)c(O)c1OC ZINC000891932065 617791510 /nfs/dbraw/zinc/79/15/10/617791510.db2.gz RUPJVUZCUAUVFS-UHFFFAOYSA-N 1 2 294.351 1.120 20 10 CDCDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895114517 619304858 /nfs/dbraw/zinc/30/48/58/619304858.db2.gz MEMICHWLAMKMLG-IVZWLZJFSA-N 1 2 292.335 1.218 20 10 CDCDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895114517 619304859 /nfs/dbraw/zinc/30/48/59/619304859.db2.gz MEMICHWLAMKMLG-IVZWLZJFSA-N 1 2 292.335 1.218 20 10 CDCDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1cc(F)ccc1O ZINC000895119100 619312691 /nfs/dbraw/zinc/31/26/91/619312691.db2.gz VGVMPHMYJRUPAQ-IVZWLZJFSA-N 1 2 266.316 1.629 20 10 CDCDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1cc(F)ccc1O ZINC000895119100 619312694 /nfs/dbraw/zinc/31/26/94/619312694.db2.gz VGVMPHMYJRUPAQ-IVZWLZJFSA-N 1 2 266.316 1.629 20 10 CDCDLO Oc1c(F)cccc1C[N@@H+]1CCc2ncncc2C1 ZINC000895722876 619814188 /nfs/dbraw/zinc/81/41/88/619814188.db2.gz MOGCQTUAOWWVKA-UHFFFAOYSA-N 1 2 259.284 1.880 20 10 CDCDLO Oc1c(F)cccc1C[N@H+]1CCc2ncncc2C1 ZINC000895722876 619814192 /nfs/dbraw/zinc/81/41/92/619814192.db2.gz MOGCQTUAOWWVKA-UHFFFAOYSA-N 1 2 259.284 1.880 20 10 CDCDLO COC(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000092217151 837810934 /nfs/dbraw/zinc/81/09/34/837810934.db2.gz JCBCIHWBQJXPQS-UHFFFAOYSA-N 1 2 284.743 1.930 20 10 CDCDLO CCC[N@H+](CC(N)=O)Cc1cccc(Cl)c1O ZINC000310309899 835825880 /nfs/dbraw/zinc/82/58/80/835825880.db2.gz DNDXAYNNMFJCOI-UHFFFAOYSA-N 1 2 256.733 1.743 20 10 CDCDLO CCC[N@@H+](CC(N)=O)Cc1cccc(Cl)c1O ZINC000310309899 835825882 /nfs/dbraw/zinc/82/58/82/835825882.db2.gz DNDXAYNNMFJCOI-UHFFFAOYSA-N 1 2 256.733 1.743 20 10 CDCDLO CCN1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CC1=O ZINC000824887431 835830988 /nfs/dbraw/zinc/83/09/88/835830988.db2.gz XLGBLPWPALARSR-JTQLQIEISA-N 1 2 286.734 1.895 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000862755900 835905690 /nfs/dbraw/zinc/90/56/90/835905690.db2.gz MVUQJYDIVDUBJG-GFCCVEGCSA-N 1 2 285.347 1.776 20 10 CDCDLO CCOc1cccc(C[NH+]2CC(N3CC[C@@H](O)C3)C2)c1O ZINC000846067996 836070275 /nfs/dbraw/zinc/07/02/75/836070275.db2.gz OGIAFVKAOZHZRX-CQSZACIVSA-N 1 2 292.379 1.042 20 10 CDCDLO CCOc1cccc(C[N@@H+]2CCc3nn[nH]c3C2)c1O ZINC000827884766 838744240 /nfs/dbraw/zinc/74/42/40/838744240.db2.gz HNCIQWPGKABWTG-UHFFFAOYSA-N 1 2 274.324 1.467 20 10 CDCDLO CCOc1cccc(C[N@H+]2CCc3nn[nH]c3C2)c1O ZINC000827884766 838744259 /nfs/dbraw/zinc/74/42/59/838744259.db2.gz HNCIQWPGKABWTG-UHFFFAOYSA-N 1 2 274.324 1.467 20 10 CDCDLO COc1cc(O)c(C[NH2+][C@H](C)c2ncn(C)n2)cc1OC ZINC000783706577 839387222 /nfs/dbraw/zinc/38/72/22/839387222.db2.gz PSOVYBHAZNLXGB-SECBINFHSA-N 1 2 292.339 1.389 20 10 CDCDLO Cc1[nH]c(CNc2ccccc2OCCC(N)=O)[nH+]c1C ZINC000850208075 839789285 /nfs/dbraw/zinc/78/92/85/839789285.db2.gz DWHNTSGJSYLZBN-UHFFFAOYSA-N 1 2 288.351 1.893 20 10 CDCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(N)=O ZINC000715719906 840169579 /nfs/dbraw/zinc/16/95/79/840169579.db2.gz VQUSUEFZXQUFIH-RXMQYKEDSA-N 1 2 291.120 1.257 20 10 CDCDLO C[C@@H]([NH2+]Cc1nncn1C)c1c(O)cccc1F ZINC000886501293 841804294 /nfs/dbraw/zinc/80/42/94/841804294.db2.gz DYCIBNQLFZOSNR-MRVPVSSYSA-N 1 2 250.277 1.511 20 10 CDCDLO C[NH+](C)C[C@@H]1CN(Cc2c(F)ccc(F)c2O)CCO1 ZINC001139685811 901333578 /nfs/dbraw/zinc/33/35/78/901333578.db2.gz XYBZYSIXAQXKGU-SNVBAGLBSA-N 1 2 286.322 1.433 20 10 CDCDLO C[C@@H](CC(N)=O)[NH2+]Cc1cccc(Br)c1O ZINC000160804843 910124084 /nfs/dbraw/zinc/12/40/84/910124084.db2.gz PQIGNDXMCVWWEU-ZETCQYMHSA-N 1 2 287.157 1.508 20 10 CDCDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137837749 936419296 /nfs/dbraw/zinc/41/92/96/936419296.db2.gz SWWVYNQTCNDABG-VIFPVBQESA-N 1 2 273.329 1.150 20 10 CDCDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137837749 936419298 /nfs/dbraw/zinc/41/92/98/936419298.db2.gz SWWVYNQTCNDABG-VIFPVBQESA-N 1 2 273.329 1.150 20 10 CDCDLO CC(=O)NC1C[NH+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673114 936634700 /nfs/dbraw/zinc/63/47/00/936634700.db2.gz PUPNPBPLCWELLP-UHFFFAOYSA-N 1 2 261.369 1.381 20 10 CDCDLO Cc1c(O)ccc(C[N@@H+]2CCN(C(C)(C)C)C(=O)C2)c1O ZINC001140749350 936749372 /nfs/dbraw/zinc/74/93/72/936749372.db2.gz WJRNHWWFQCXARF-UHFFFAOYSA-N 1 2 292.379 1.849 20 10 CDCDLO Cc1c(O)ccc(C[N@H+]2CCN(C(C)(C)C)C(=O)C2)c1O ZINC001140749350 936749374 /nfs/dbraw/zinc/74/93/74/936749374.db2.gz WJRNHWWFQCXARF-UHFFFAOYSA-N 1 2 292.379 1.849 20 10 CDCDLO Oc1ccc(O)c(C[NH+]2CC(Oc3cccnc3)C2)c1 ZINC001141159193 936822094 /nfs/dbraw/zinc/82/20/94/936822094.db2.gz BPIHKXBNGJEHNU-UHFFFAOYSA-N 1 2 272.304 1.756 20 10 CDCDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001275731796 931985167 /nfs/dbraw/zinc/98/51/67/931985167.db2.gz KFIRTYSUKBCOPJ-AOOOYVTPSA-N 1 2 296.754 1.670 20 10 CDCDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001275731796 931985171 /nfs/dbraw/zinc/98/51/71/931985171.db2.gz KFIRTYSUKBCOPJ-AOOOYVTPSA-N 1 2 296.754 1.670 20 10 CDCDLO CC(C)(C)n1nnc(C[NH2+]Cc2ccccc2O)n1 ZINC000690621440 933387925 /nfs/dbraw/zinc/38/79/25/933387925.db2.gz JASMAOYEZPUOPP-UHFFFAOYSA-N 1 2 261.329 1.424 20 10 CDCDLO COc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc(O)c1O ZINC001204347514 939759040 /nfs/dbraw/zinc/75/90/40/939759040.db2.gz VCUSFBDMFVDFBE-DCAQKATOSA-N 1 2 267.300 1.896 20 10 CDCDLO COc1cc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc(O)c1O ZINC001204347514 939759044 /nfs/dbraw/zinc/75/90/44/939759044.db2.gz VCUSFBDMFVDFBE-DCAQKATOSA-N 1 2 267.300 1.896 20 10 CDCDLO CN1CCO[C@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)C[C@@H]21 ZINC001276616384 940437864 /nfs/dbraw/zinc/43/78/64/940437864.db2.gz BSUBHPQRBVEDSX-FZMZJTMJSA-N 1 2 298.770 1.266 20 10 CDCDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(Cl)c(O)cc3O)C[C@@H]21 ZINC001276616384 940437865 /nfs/dbraw/zinc/43/78/65/940437865.db2.gz BSUBHPQRBVEDSX-FZMZJTMJSA-N 1 2 298.770 1.266 20 10 CDCDLO COc1cc(C)c(C[N@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC001236809121 944575600 /nfs/dbraw/zinc/57/56/00/944575600.db2.gz TXYGLQCEHNGJMG-JTQLQIEISA-N 1 2 264.325 1.030 20 10 CDCDLO COc1cc(C)c(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC001236809121 944575607 /nfs/dbraw/zinc/57/56/07/944575607.db2.gz TXYGLQCEHNGJMG-JTQLQIEISA-N 1 2 264.325 1.030 20 10 CDCDLO CCC[C@@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001257305008 948567124 /nfs/dbraw/zinc/56/71/24/948567124.db2.gz UEDMZCJXLIVBFR-PWSUYJOCSA-N 1 2 281.352 1.960 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc(C(=O)[O-])ccc1O ZINC001593286442 994644940 /nfs/dbraw/zinc/64/49/40/994644940.db2.gz SVHNHXBYNFAEAL-PWSUYJOCSA-N 1 2 278.352 1.835 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc(C(=O)[O-])ccc1O ZINC001593286442 994644945 /nfs/dbraw/zinc/64/49/45/994644945.db2.gz SVHNHXBYNFAEAL-PWSUYJOCSA-N 1 2 278.352 1.835 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCNC(=O)C2(C)C)cc1OC ZINC000180050904 357239667 /nfs/dbraw/zinc/23/96/67/357239667.db2.gz DCVHTRFLELDFTQ-UHFFFAOYSA-N 1 2 294.351 1.120 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCNC(=O)C2(C)C)cc1OC ZINC000180050904 357239669 /nfs/dbraw/zinc/23/96/69/357239669.db2.gz DCVHTRFLELDFTQ-UHFFFAOYSA-N 1 2 294.351 1.120 20 10 CDCDLO COC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000093528636 360298717 /nfs/dbraw/zinc/29/87/17/360298717.db2.gz SHTVEFLQYSCSNI-GFCCVEGCSA-N 1 2 271.744 1.893 20 10 CDCDLO COC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000093528636 360298724 /nfs/dbraw/zinc/29/87/24/360298724.db2.gz SHTVEFLQYSCSNI-GFCCVEGCSA-N 1 2 271.744 1.893 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C(C)(C)C(N)=O)c1O ZINC000295742484 371433046 /nfs/dbraw/zinc/43/30/46/371433046.db2.gz PWZYIKACHOJBOI-UHFFFAOYSA-N 1 2 298.770 1.944 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)C(C)(C)C(N)=O)c1O ZINC000295742484 371433051 /nfs/dbraw/zinc/43/30/51/371433051.db2.gz PWZYIKACHOJBOI-UHFFFAOYSA-N 1 2 298.770 1.944 20 10 CDCDLO CN(Cc1ccccc1O)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160085727 390944004 /nfs/dbraw/zinc/94/40/04/390944004.db2.gz XFXOMTMSMMNJCO-GFCCVEGCSA-N 1 2 285.347 1.810 20 10 CDCDLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000195008045 391374494 /nfs/dbraw/zinc/37/44/94/391374494.db2.gz KZXROHMHBBWUGF-LDYMZIIASA-N 1 2 268.744 1.660 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOc2cc(F)ccc21 ZINC000493723721 393218919 /nfs/dbraw/zinc/21/89/19/393218919.db2.gz LTFFMCUYOZNAJI-RQOWECAXSA-N 1 2 273.267 1.988 20 10 CDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]CCOCC(F)F)c1 ZINC000190889466 296507513 /nfs/dbraw/zinc/50/75/13/296507513.db2.gz IKGBQJSIXGGVQR-UHFFFAOYSA-N 1 2 276.239 1.672 20 10 CDCDLO COc1cc(Cl)cc(C[NH2+]CC(F)(F)CO)c1O ZINC000185661071 262065089 /nfs/dbraw/zinc/06/50/89/262065089.db2.gz XUSNWSNDJWARTA-UHFFFAOYSA-N 1 2 281.686 1.771 20 10 CDCDLO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377701305 329025810 /nfs/dbraw/zinc/02/58/10/329025810.db2.gz SOLJMDGYRJZDOK-UKRRQHHQSA-N 1 2 281.327 1.911 20 10 CDCDLO Oc1ccc(F)cc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377701305 329025811 /nfs/dbraw/zinc/02/58/11/329025811.db2.gz SOLJMDGYRJZDOK-UKRRQHHQSA-N 1 2 281.327 1.911 20 10 CDCDLO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ncn(C)n1 ZINC000276302666 334798301 /nfs/dbraw/zinc/79/83/01/334798301.db2.gz UYCGNDJOSPNIGK-MRVPVSSYSA-N 1 2 250.277 1.511 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC000050147461 518282800 /nfs/dbraw/zinc/28/28/00/518282800.db2.gz HDIWCQMFRYFRCB-CYBMUJFWSA-N 1 2 294.326 1.574 20 10 CDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC000050147461 518282793 /nfs/dbraw/zinc/28/27/93/518282793.db2.gz HDIWCQMFRYFRCB-CYBMUJFWSA-N 1 2 294.326 1.574 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C(=O)OC)cc1 ZINC000773889556 575843188 /nfs/dbraw/zinc/84/31/88/575843188.db2.gz XSSIPQJPDSKTHQ-GJZGRUSLSA-N 1 2 292.379 1.251 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C(=O)OC)cc1 ZINC000773889556 575843189 /nfs/dbraw/zinc/84/31/89/575843189.db2.gz XSSIPQJPDSKTHQ-GJZGRUSLSA-N 1 2 292.379 1.251 20 10 CDCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000768299303 576269245 /nfs/dbraw/zinc/26/92/45/576269245.db2.gz KLLGWCVEEKAUNB-UHFFFAOYSA-N 1 2 293.367 1.200 20 10 CDCDLO OCC(F)(F)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000768533459 576294162 /nfs/dbraw/zinc/29/41/62/576294162.db2.gz RTZGEZZMCWSHPK-UHFFFAOYSA-N 1 2 269.650 1.902 20 10 CDCDLO COC[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)OC ZINC000757636896 577047484 /nfs/dbraw/zinc/04/74/84/577047484.db2.gz HILPQIFMQDRHAY-SCZZXKLOSA-N 1 2 275.295 1.982 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H]1O ZINC000840974754 617948226 /nfs/dbraw/zinc/94/82/26/617948226.db2.gz FYAUORJMSNBLNJ-JOYOIKCWSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H]1O ZINC000840974754 617948230 /nfs/dbraw/zinc/94/82/30/617948230.db2.gz FYAUORJMSNBLNJ-JOYOIKCWSA-N 1 2 289.734 1.360 20 10 CDCDLO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)C[C@@H]2C1 ZINC000895575152 619732957 /nfs/dbraw/zinc/73/29/57/619732957.db2.gz FQAOYGASJVZQNB-TXEJJXNPSA-N 1 2 296.317 1.581 20 10 CDCDLO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3O)C[C@@H]2C1 ZINC000895575152 619732958 /nfs/dbraw/zinc/73/29/58/619732958.db2.gz FQAOYGASJVZQNB-TXEJJXNPSA-N 1 2 296.317 1.581 20 10 CDCDLO CC(C)[C@H](O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589959849 1173211225 /nfs/dbraw/zinc/21/12/25/1173211225.db2.gz VZLVIDWYGJQTOW-JOYOIKCWSA-N 1 2 291.355 1.240 20 10 CDCDLO C[C@@H](O)CCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589998330 1173227549 /nfs/dbraw/zinc/22/75/49/1173227549.db2.gz RKGQXFXBNMKENH-ZJUUUORDSA-N 1 2 291.355 1.384 20 10 CDCDLO OC[C@@H]1CSCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000877780389 1166097854 /nfs/dbraw/zinc/09/78/54/1166097854.db2.gz OWWJUCKLDTWZTE-SNVBAGLBSA-N 1 2 273.785 1.955 20 10 CDCDLO OC[C@@H]1CSCC[N@H+]1Cc1cccc(Cl)c1O ZINC000877780389 1166097856 /nfs/dbraw/zinc/09/78/56/1166097856.db2.gz OWWJUCKLDTWZTE-SNVBAGLBSA-N 1 2 273.785 1.955 20 10 CDCDLO C[N@@H+]1CCCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140580006 1167050953 /nfs/dbraw/zinc/05/09/53/1167050953.db2.gz ODFSISNRUSLMIH-UHFFFAOYSA-N 1 2 256.296 1.808 20 10 CDCDLO C[N@H+]1CCCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140580006 1167050956 /nfs/dbraw/zinc/05/09/56/1167050956.db2.gz ODFSISNRUSLMIH-UHFFFAOYSA-N 1 2 256.296 1.808 20 10 CDCDLO C[C@H]([NH2+]C[C@@H]1COCCN1)c1cc(F)cc(F)c1O ZINC000863544676 844495397 /nfs/dbraw/zinc/49/53/97/844495397.db2.gz BEENQJCWRIRBDK-WCBMZHEXSA-N 1 2 272.295 1.309 20 10 CDCDLO Cc1cc(O)c(CN2CC[N@@H+](C)C[C@@H]2CO)cc1C ZINC000877645063 844623723 /nfs/dbraw/zinc/62/37/23/844623723.db2.gz ZOCIKGNBHVCDOV-CQSZACIVSA-N 1 2 264.369 1.117 20 10 CDCDLO Cc1cc(O)c(CN2CC[N@H+](C)C[C@@H]2CO)cc1C ZINC000877645063 844623728 /nfs/dbraw/zinc/62/37/28/844623728.db2.gz ZOCIKGNBHVCDOV-CQSZACIVSA-N 1 2 264.369 1.117 20 10 CDCDLO CCNC(=O)C[N@H+](CC)Cc1cc(F)cc(F)c1O ZINC000708412081 843302543 /nfs/dbraw/zinc/30/25/43/843302543.db2.gz FREIZQNSEKFXLH-UHFFFAOYSA-N 1 2 272.295 1.628 20 10 CDCDLO CCNC(=O)C[N@@H+](CC)Cc1cc(F)cc(F)c1O ZINC000708412081 843302555 /nfs/dbraw/zinc/30/25/55/843302555.db2.gz FREIZQNSEKFXLH-UHFFFAOYSA-N 1 2 272.295 1.628 20 10 CDCDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cccc(O)c1O ZINC000790943833 844668954 /nfs/dbraw/zinc/66/89/54/844668954.db2.gz SJVYFVWVRZUBOJ-VIFPVBQESA-N 1 2 273.292 1.039 20 10 CDCDLO COCc1noc(C[NH2+][C@H](C)c2cc(OC)ccc2O)n1 ZINC000180251080 844687076 /nfs/dbraw/zinc/68/70/76/844687076.db2.gz FGUDRTKDSALAHH-SECBINFHSA-N 1 2 293.323 1.781 20 10 CDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCc1ccc(N)cc1 ZINC000841506461 844834880 /nfs/dbraw/zinc/83/48/80/844834880.db2.gz XHZTWEWICXVTFQ-LBPRGKRZSA-N 1 2 287.367 1.396 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1F ZINC000802661975 844956699 /nfs/dbraw/zinc/95/66/99/844956699.db2.gz ZBIRLYKUPUKLIL-CQSZACIVSA-N 1 2 270.323 1.798 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1F ZINC000802661975 844956707 /nfs/dbraw/zinc/95/67/07/844956707.db2.gz ZBIRLYKUPUKLIL-CQSZACIVSA-N 1 2 270.323 1.798 20 10 CDCDLO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779213168 845530441 /nfs/dbraw/zinc/53/04/41/845530441.db2.gz DGDBAYWNGGVBHN-FXMSTWTQSA-N 1 2 299.330 1.439 20 10 CDCDLO COc1ccc(O)c(CNC(=O)CCc2c[nH+]cn2C)c1 ZINC000790070914 845765080 /nfs/dbraw/zinc/76/50/80/845765080.db2.gz LMTUXKXCZOEKMY-UHFFFAOYSA-N 1 2 289.335 1.383 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1 ZINC000792193634 845871989 /nfs/dbraw/zinc/87/19/89/845871989.db2.gz ZUYIHIPKZNRSIV-QEAOQQLJSA-N 1 2 283.393 1.742 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1 ZINC000792193634 845871991 /nfs/dbraw/zinc/87/19/91/845871991.db2.gz ZUYIHIPKZNRSIV-QEAOQQLJSA-N 1 2 283.393 1.742 20 10 CDCDLO COCC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000798967315 846585658 /nfs/dbraw/zinc/58/56/58/846585658.db2.gz VIWHWPRNWAHNIC-JTQLQIEISA-N 1 2 277.723 1.672 20 10 CDCDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(O)c(O)c1 ZINC000779532933 847010794 /nfs/dbraw/zinc/01/07/94/847010794.db2.gz XQKFISTYDJUSOR-HYXAFXHYSA-N 1 2 273.292 1.459 20 10 CDCDLO OC[C@@H](CCF)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000846099857 847567816 /nfs/dbraw/zinc/56/78/16/847567816.db2.gz KYPRNMWOZXQCLR-SECBINFHSA-N 1 2 265.687 1.995 20 10 CDCDLO CCOC(=O)[C@H]([NH2+]Cc1ccccc1O)C1CCOCC1 ZINC000789579293 848024989 /nfs/dbraw/zinc/02/49/89/848024989.db2.gz GKSIFFARJGMDLN-OAHLLOKOSA-N 1 2 293.363 1.840 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3c(O)cccc3F)[C@@H]2C1 ZINC001137832966 936417599 /nfs/dbraw/zinc/41/75/99/936417599.db2.gz OALDMTYMLIJFNS-PSOPSSQASA-N 1 2 281.327 1.503 20 10 CDCDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3c(O)cccc3F)[C@@H]2C1 ZINC001137832966 936417600 /nfs/dbraw/zinc/41/76/00/936417600.db2.gz OALDMTYMLIJFNS-PSOPSSQASA-N 1 2 281.327 1.503 20 10 CDCDLO Oc1cccc(F)c1C[NH+]1CCN(c2cnccn2)CC1 ZINC001137832078 936416841 /nfs/dbraw/zinc/41/68/41/936416841.db2.gz ZYTXHBCIJHSEIM-UHFFFAOYSA-N 1 2 288.326 1.644 20 10 CDCDLO OC[C@H]1C[C@H](F)C[N@H+](Cc2c(O)cccc2F)C1 ZINC001137831558 936416980 /nfs/dbraw/zinc/41/69/80/936416980.db2.gz DYYZMLRMKIOMJV-UWVGGRQHSA-N 1 2 257.280 1.684 20 10 CDCDLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137831558 936416983 /nfs/dbraw/zinc/41/69/83/936416983.db2.gz DYYZMLRMKIOMJV-UWVGGRQHSA-N 1 2 257.280 1.684 20 10 CDCDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138358422 936525815 /nfs/dbraw/zinc/52/58/15/936525815.db2.gz QYVPSXUZCUHARB-GFCCVEGCSA-N 1 2 273.380 1.389 20 10 CDCDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138358422 936525818 /nfs/dbraw/zinc/52/58/18/936525818.db2.gz QYVPSXUZCUHARB-GFCCVEGCSA-N 1 2 273.380 1.389 20 10 CDCDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356643 936525863 /nfs/dbraw/zinc/52/58/63/936525863.db2.gz UHVLBKQXXQOJCW-ZDUSSCGKSA-N 1 2 287.407 1.732 20 10 CDCDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356643 936525865 /nfs/dbraw/zinc/52/58/65/936525865.db2.gz UHVLBKQXXQOJCW-ZDUSSCGKSA-N 1 2 287.407 1.732 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](O)C1 ZINC001139126446 936599625 /nfs/dbraw/zinc/59/96/25/936599625.db2.gz HTAZJEWKGHIMLN-SNVBAGLBSA-N 1 2 275.304 1.374 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](O)C1 ZINC001139126446 936599626 /nfs/dbraw/zinc/59/96/26/936599626.db2.gz HTAZJEWKGHIMLN-SNVBAGLBSA-N 1 2 275.304 1.374 20 10 CDCDLO Cc1cc(=O)oc2c1ccc(O)c2CN(C)CC[NH+](C)C ZINC001139126743 936599641 /nfs/dbraw/zinc/59/96/41/936599641.db2.gz OPVTWUBIKHTWOP-UHFFFAOYSA-N 1 2 290.363 1.800 20 10 CDCDLO C[N@H+](CCN1CC[NH+](C)CC1)Cc1c([O-])cc(F)cc1F ZINC001140583514 936727711 /nfs/dbraw/zinc/72/77/11/936727711.db2.gz JIKPXXORSPUNFQ-UHFFFAOYSA-N 1 2 299.365 1.350 20 10 CDCDLO C[N@@H+](CCN1CC[NH+](C)CC1)Cc1c([O-])cc(F)cc1F ZINC001140583514 936727712 /nfs/dbraw/zinc/72/77/12/936727712.db2.gz JIKPXXORSPUNFQ-UHFFFAOYSA-N 1 2 299.365 1.350 20 10 CDCDLO CC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC001203935367 925726332 /nfs/dbraw/zinc/72/63/32/925726332.db2.gz FSWXPVJTBKZFIZ-OAHLLOKOSA-N 1 2 262.353 1.542 20 10 CDCDLO CC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC001203935367 925726340 /nfs/dbraw/zinc/72/63/40/925726340.db2.gz FSWXPVJTBKZFIZ-OAHLLOKOSA-N 1 2 262.353 1.542 20 10 CDCDLO C[C@@]1(CO)C[N@H+](Cc2cc(F)c(F)cc2O)CC[C@@H]1O ZINC001142508868 937025459 /nfs/dbraw/zinc/02/54/59/937025459.db2.gz OLULNTWXSYMYSA-KBPBESRZSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@@]1(CO)C[N@@H+](Cc2cc(F)c(F)cc2O)CC[C@@H]1O ZINC001142508868 937025462 /nfs/dbraw/zinc/02/54/62/937025462.db2.gz OLULNTWXSYMYSA-KBPBESRZSA-N 1 2 287.306 1.236 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCS1 ZINC001203881864 939711754 /nfs/dbraw/zinc/71/17/54/939711754.db2.gz VVXBGHZZGZROOW-ZDUSSCGKSA-N 1 2 297.376 1.578 20 10 CDCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCS1 ZINC001203881864 939711756 /nfs/dbraw/zinc/71/17/56/939711756.db2.gz VVXBGHZZGZROOW-ZDUSSCGKSA-N 1 2 297.376 1.578 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(N)=O)c(Cl)c1 ZINC001277550650 942976400 /nfs/dbraw/zinc/97/64/00/942976400.db2.gz DIUDWKVJQSPFRR-XHDPSFHLSA-N 1 2 293.798 1.856 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CC[C@H]3C[C@]32C(N)=O)c(Cl)c1 ZINC001277550650 942976406 /nfs/dbraw/zinc/97/64/06/942976406.db2.gz DIUDWKVJQSPFRR-XHDPSFHLSA-N 1 2 293.798 1.856 20 10 CDCDLO CCOC(=O)c1nc[nH]c1C[N@H+](C)Cc1ccccc1O ZINC001232916492 943431601 /nfs/dbraw/zinc/43/16/01/943431601.db2.gz KYXRUQNTNKJVJG-UHFFFAOYSA-N 1 2 289.335 1.924 20 10 CDCDLO CCOC(=O)c1nc[nH]c1C[N@@H+](C)Cc1ccccc1O ZINC001232916492 943431604 /nfs/dbraw/zinc/43/16/04/943431604.db2.gz KYXRUQNTNKJVJG-UHFFFAOYSA-N 1 2 289.335 1.924 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c1O ZINC001233287955 943532423 /nfs/dbraw/zinc/53/24/23/943532423.db2.gz OXDIAKQHTPEJSZ-VHSXEESVSA-N 1 2 275.707 1.569 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c1O ZINC001233287955 943532426 /nfs/dbraw/zinc/53/24/26/943532426.db2.gz OXDIAKQHTPEJSZ-VHSXEESVSA-N 1 2 275.707 1.569 20 10 CDCDLO Oc1ccc(F)c(F)c1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001233331891 943546932 /nfs/dbraw/zinc/54/69/32/943546932.db2.gz OYNQTNYFIGOFDV-LLVKDONJSA-N 1 2 298.333 1.577 20 10 CDCDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336167 943548581 /nfs/dbraw/zinc/54/85/81/943548581.db2.gz BDFKIAWINCBYLL-VIFPVBQESA-N 1 2 299.321 1.564 20 10 CDCDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336167 943548583 /nfs/dbraw/zinc/54/85/83/943548583.db2.gz BDFKIAWINCBYLL-VIFPVBQESA-N 1 2 299.321 1.564 20 10 CDCDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455048 943587615 /nfs/dbraw/zinc/58/76/15/943587615.db2.gz UDTDLOAFTUGCGU-MRVPVSSYSA-N 1 2 288.269 1.731 20 10 CDCDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455048 943587616 /nfs/dbraw/zinc/58/76/16/943587616.db2.gz UDTDLOAFTUGCGU-MRVPVSSYSA-N 1 2 288.269 1.731 20 10 CDCDLO Cn1cnc2c1C[N@H+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233487285 943595928 /nfs/dbraw/zinc/59/59/28/943595928.db2.gz XRLYBKKAJBDJMK-UHFFFAOYSA-N 1 2 275.308 1.095 20 10 CDCDLO Cn1cnc2c1C[N@@H+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233487285 943595930 /nfs/dbraw/zinc/59/59/30/943595930.db2.gz XRLYBKKAJBDJMK-UHFFFAOYSA-N 1 2 275.308 1.095 20 10 CDCDLO Cc1cc(F)cc(C[N@H+]2CCN3CC[C@@H]3C2)c1O ZINC001238066523 945047277 /nfs/dbraw/zinc/04/72/77/945047277.db2.gz MMJSQOFKZHSTHU-CYBMUJFWSA-N 1 2 250.317 1.730 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001262338414 946591433 /nfs/dbraw/zinc/59/14/33/946591433.db2.gz PPRZNNWASQAQCN-LLVKDONJSA-N 1 2 294.351 1.952 20 10 CDCDLO COC(=O)NC1C[NH+](Cc2c(C)cc(OC)cc2O)C1 ZINC001308808632 956582537 /nfs/dbraw/zinc/58/25/37/956582537.db2.gz AUPCDFNJUYFLFN-UHFFFAOYSA-N 1 2 280.324 1.249 20 10 CDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001320690105 959328749 /nfs/dbraw/zinc/32/87/49/959328749.db2.gz DYLGZRCTISGXLS-QWRGUYRKSA-N 1 2 289.335 1.603 20 10 CDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1cccc(Cl)c1O ZINC000180422680 342537881 /nfs/dbraw/zinc/53/78/81/342537881.db2.gz NVDGQNYJKTXZNB-UHFFFAOYSA-N 1 2 291.800 1.912 20 10 CDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180422680 342537882 /nfs/dbraw/zinc/53/78/82/342537882.db2.gz NVDGQNYJKTXZNB-UHFFFAOYSA-N 1 2 291.800 1.912 20 10 CDCDLO CN(C)c1ccc(CN(C)C(=O)CCn2cc[nH+]c2)cc1 ZINC000070897662 349117094 /nfs/dbraw/zinc/11/70/94/349117094.db2.gz SQHRAHBSMCVXEA-UHFFFAOYSA-N 1 2 286.379 1.998 20 10 CDCDLO NC(=O)[C@H]1Cc2ccccc2N(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492765269 366181109 /nfs/dbraw/zinc/18/11/09/366181109.db2.gz LPKXWUUVBUZRCK-FYJFLYSWSA-N 1 2 296.330 1.114 20 10 CDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@H](O)Cc2ccccc21 ZINC000492870951 366184022 /nfs/dbraw/zinc/18/40/22/366184022.db2.gz WQZJPTQCHHZBLQ-CFHLNLSMSA-N 1 2 269.304 1.373 20 10 CDCDLO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1O ZINC000187776926 357805959 /nfs/dbraw/zinc/80/59/59/357805959.db2.gz ROQQTUYGAALLRK-BDAKNGLRSA-N 1 2 294.305 1.928 20 10 CDCDLO COCC[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC000272305363 365180932 /nfs/dbraw/zinc/18/09/32/365180932.db2.gz QOKJULQIXPYHCW-UHFFFAOYSA-N 1 2 268.332 1.295 20 10 CDCDLO COCCN1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272305363 365180940 /nfs/dbraw/zinc/18/09/40/365180940.db2.gz QOKJULQIXPYHCW-UHFFFAOYSA-N 1 2 268.332 1.295 20 10 CDCDLO COC(=O)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000179392625 391203811 /nfs/dbraw/zinc/20/38/11/391203811.db2.gz XDTKGQQEBFHSQD-UHFFFAOYSA-N 1 2 288.141 1.760 20 10 CDCDLO COC(=O)C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000179392625 391203814 /nfs/dbraw/zinc/20/38/14/391203814.db2.gz XDTKGQQEBFHSQD-UHFFFAOYSA-N 1 2 288.141 1.760 20 10 CDCDLO COc1cc(O)c(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1OC ZINC000368313846 267161668 /nfs/dbraw/zinc/16/16/68/267161668.db2.gz WZQBEQAYIVZPHZ-PWSUYJOCSA-N 1 2 265.309 1.383 20 10 CDCDLO COc1cc(O)c(C[N@H+]2CCO[C@H]3C[C@H]32)cc1OC ZINC000368313846 267161671 /nfs/dbraw/zinc/16/16/71/267161671.db2.gz WZQBEQAYIVZPHZ-PWSUYJOCSA-N 1 2 265.309 1.383 20 10 CDCDLO COC[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)OC ZINC000273423954 293109419 /nfs/dbraw/zinc/10/94/19/293109419.db2.gz JWWCMUKNBGIESB-KOLCDFICSA-N 1 2 284.312 1.612 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001142509032 1160689413 /nfs/dbraw/zinc/68/94/13/1160689413.db2.gz URKLVHMUEPGVFN-UFBFGSQYSA-N 1 2 261.243 1.575 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001142509032 1160689415 /nfs/dbraw/zinc/68/94/15/1160689415.db2.gz URKLVHMUEPGVFN-UFBFGSQYSA-N 1 2 261.243 1.575 20 10 CDCDLO COC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000234786812 522685898 /nfs/dbraw/zinc/68/58/98/522685898.db2.gz ZAJGUJCDLNUTOH-VIFPVBQESA-N 1 2 280.151 1.796 20 10 CDCDLO C[N@H+](Cc1ccon1)Cc1cc2c(cc1O)OCO2 ZINC000265769608 523481812 /nfs/dbraw/zinc/48/18/12/523481812.db2.gz CODZKYRJWCSICT-UHFFFAOYSA-N 1 2 262.265 1.741 20 10 CDCDLO C[N@@H+](Cc1ccon1)Cc1cc2c(cc1O)OCO2 ZINC000265769608 523481817 /nfs/dbraw/zinc/48/18/17/523481817.db2.gz CODZKYRJWCSICT-UHFFFAOYSA-N 1 2 262.265 1.741 20 10 CDCDLO Nc1c(NCc2ccccc2O)[nH+]cnc1-n1cccn1 ZINC000774525369 575211586 /nfs/dbraw/zinc/21/15/86/575211586.db2.gz ZKAJSAXVHRIIBE-UHFFFAOYSA-N 1 2 282.307 1.562 20 10 CDCDLO C[N@H+](Cc1nccs1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768466415 576287837 /nfs/dbraw/zinc/28/78/37/576287837.db2.gz QAKJSSDJEIRKFZ-GFCCVEGCSA-N 1 2 292.360 1.907 20 10 CDCDLO C[N@@H+](Cc1nccs1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768466415 576287840 /nfs/dbraw/zinc/28/78/40/576287840.db2.gz QAKJSSDJEIRKFZ-GFCCVEGCSA-N 1 2 292.360 1.907 20 10 CDCDLO CC[C@@H](CO)[NH2+][C@@H](CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590472272 1173423976 /nfs/dbraw/zinc/42/39/76/1173423976.db2.gz RFRORQAZZKMDEK-CABZTGNLSA-N 1 2 291.355 1.384 20 10 CDCDLO CC(C)[N@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000775642427 697654149 /nfs/dbraw/zinc/65/41/49/697654149.db2.gz HCXLCCCDSJQNQC-UHFFFAOYSA-N 1 2 274.723 1.880 20 10 CDCDLO CC(C)[N@@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000775642427 697654155 /nfs/dbraw/zinc/65/41/55/697654155.db2.gz HCXLCCCDSJQNQC-UHFFFAOYSA-N 1 2 274.723 1.880 20 10 CDCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1nnnn1C1CC1 ZINC000883023417 697817231 /nfs/dbraw/zinc/81/72/31/697817231.db2.gz VFGZWSWKTSFPKO-UHFFFAOYSA-N 1 2 281.266 1.282 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000831769976 698263260 /nfs/dbraw/zinc/26/32/60/698263260.db2.gz ZYSZINGZRDPADD-GFCCVEGCSA-N 1 2 261.369 1.463 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000831769976 698263270 /nfs/dbraw/zinc/26/32/70/698263270.db2.gz ZYSZINGZRDPADD-GFCCVEGCSA-N 1 2 261.369 1.463 20 10 CDCDLO OC[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CC[C@@H]1O ZINC000840974912 698300118 /nfs/dbraw/zinc/30/01/18/698300118.db2.gz JKTPWQBGOJVCFM-KWQFWETISA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CC[C@@H]1O ZINC000840974912 698300120 /nfs/dbraw/zinc/30/01/20/698300120.db2.gz JKTPWQBGOJVCFM-KWQFWETISA-N 1 2 289.734 1.360 20 10 CDCDLO CN(C)c1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000155834985 698373343 /nfs/dbraw/zinc/37/33/43/698373343.db2.gz SVKLSMKTLSRSHC-CQSZACIVSA-N 1 2 298.390 1.828 20 10 CDCDLO CC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(F)cc1O ZINC000796936125 698425673 /nfs/dbraw/zinc/42/56/73/698425673.db2.gz DSRVMCVTWIXOSM-ZFWWWQNUSA-N 1 2 282.359 1.639 20 10 CDCDLO Cn1cc([C@@H](CO)[NH2+]Cc2c(O)ccc(Cl)c2F)cn1 ZINC000790980821 698923490 /nfs/dbraw/zinc/92/34/90/698923490.db2.gz PZTXOBKSBDPCGL-LLVKDONJSA-N 1 2 299.733 1.741 20 10 CDCDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccc(N)cc1 ZINC000831406822 705065051 /nfs/dbraw/zinc/06/50/51/705065051.db2.gz UIWJCYBRDBNWHE-UHFFFAOYSA-N 1 2 272.352 1.557 20 10 CDCDLO CN(C)c1ccc(CNC(=O)NCc2c[nH+]cn2C)cc1 ZINC000290629874 848814895 /nfs/dbraw/zinc/81/48/95/848814895.db2.gz MLTUNANNXOEKGQ-UHFFFAOYSA-N 1 2 287.367 1.486 20 10 CDCDLO Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c(O)c1O ZINC000857948899 848888341 /nfs/dbraw/zinc/88/83/41/848888341.db2.gz STXBYJBVLIXNFR-SNVBAGLBSA-N 1 2 287.319 1.348 20 10 CDCDLO O=C(CCC[NH2+]Cc1cc(F)cc(F)c1O)NC1CC1 ZINC000708559346 849521305 /nfs/dbraw/zinc/52/13/05/849521305.db2.gz QVHZQAXXUMPJED-UHFFFAOYSA-N 1 2 284.306 1.819 20 10 CDCDLO CO[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1O ZINC000825024137 850062898 /nfs/dbraw/zinc/06/28/98/850062898.db2.gz KLXNFJPLNICHFG-VXGBXAGGSA-N 1 2 275.707 1.376 20 10 CDCDLO CO[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1O ZINC000825024137 850062911 /nfs/dbraw/zinc/06/29/11/850062911.db2.gz KLXNFJPLNICHFG-VXGBXAGGSA-N 1 2 275.707 1.376 20 10 CDCDLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001206222982 913044948 /nfs/dbraw/zinc/04/49/48/913044948.db2.gz RQCGCYTXXAVRQF-NSHDSACASA-N 1 2 278.249 1.997 20 10 CDCDLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001206222982 913044963 /nfs/dbraw/zinc/04/49/63/913044963.db2.gz RQCGCYTXXAVRQF-NSHDSACASA-N 1 2 278.249 1.997 20 10 CDCDLO CC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC001139673359 936634612 /nfs/dbraw/zinc/63/46/12/936634612.db2.gz AQLYDJYPEWYOSD-MRXNPFEDSA-N 1 2 276.380 1.851 20 10 CDCDLO CC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC001139673359 936634613 /nfs/dbraw/zinc/63/46/13/936634613.db2.gz AQLYDJYPEWYOSD-MRXNPFEDSA-N 1 2 276.380 1.851 20 10 CDCDLO Cc1cccc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c1O ZINC001276080484 932497020 /nfs/dbraw/zinc/49/70/20/932497020.db2.gz PHVRZVGNIMGGCF-OKILXGFUSA-N 1 2 262.353 1.215 20 10 CDCDLO Cc1cccc(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c1O ZINC001276080484 932497023 /nfs/dbraw/zinc/49/70/23/932497023.db2.gz PHVRZVGNIMGGCF-OKILXGFUSA-N 1 2 262.353 1.215 20 10 CDCDLO O=C1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]2CCCN12 ZINC001203664029 939700589 /nfs/dbraw/zinc/70/05/89/939700589.db2.gz MKWWLUURYVHRAE-GFCCVEGCSA-N 1 2 280.755 1.852 20 10 CDCDLO O=C1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]2CCCN12 ZINC001203664029 939700590 /nfs/dbraw/zinc/70/05/90/939700590.db2.gz MKWWLUURYVHRAE-GFCCVEGCSA-N 1 2 280.755 1.852 20 10 CDCDLO Oc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1O ZINC001203875825 939710510 /nfs/dbraw/zinc/71/05/10/939710510.db2.gz WOQONDHWTJGKDZ-AWEZNQCLSA-N 1 2 265.309 1.089 20 10 CDCDLO Oc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1O ZINC001203875825 939710512 /nfs/dbraw/zinc/71/05/12/939710512.db2.gz WOQONDHWTJGKDZ-AWEZNQCLSA-N 1 2 265.309 1.089 20 10 CDCDLO C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]21 ZINC001231454284 942898334 /nfs/dbraw/zinc/89/83/34/942898334.db2.gz PKKYFEHSPRLIAD-JSGCOSHPSA-N 1 2 290.363 1.616 20 10 CDCDLO C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]21 ZINC001231454284 942898338 /nfs/dbraw/zinc/89/83/38/942898338.db2.gz PKKYFEHSPRLIAD-JSGCOSHPSA-N 1 2 290.363 1.616 20 10 CDCDLO COc1cc(C[N@@H+]2CCC23COC3)c(O)cc1O ZINC001231636314 942950813 /nfs/dbraw/zinc/95/08/13/942950813.db2.gz SHNGMKCUVZEJOL-UHFFFAOYSA-N 1 2 251.282 1.081 20 10 CDCDLO COc1cc(C[N@H+]2CCC23COC3)c(O)cc1O ZINC001231636314 942950817 /nfs/dbraw/zinc/95/08/17/942950817.db2.gz SHNGMKCUVZEJOL-UHFFFAOYSA-N 1 2 251.282 1.081 20 10 CDCDLO CN1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)CC1=O ZINC001232264462 943195186 /nfs/dbraw/zinc/19/51/86/943195186.db2.gz CEMFQFJLUXRCBD-UHFFFAOYSA-N 1 2 284.743 1.415 20 10 CDCDLO CN1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1=O ZINC001232264462 943195191 /nfs/dbraw/zinc/19/51/91/943195191.db2.gz CEMFQFJLUXRCBD-UHFFFAOYSA-N 1 2 284.743 1.415 20 10 CDCDLO Oc1c(CN2CC([NH+]3CCCC3)C2)ccc(F)c1F ZINC001233077151 943486398 /nfs/dbraw/zinc/48/63/98/943486398.db2.gz GZOCPPIGDAWGNW-UHFFFAOYSA-N 1 2 268.307 1.950 20 10 CDCDLO O=C1COC2(C1)CC[NH+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233332210 943545388 /nfs/dbraw/zinc/54/53/88/943545388.db2.gz CIPMKSLSQJDMGM-UHFFFAOYSA-N 1 2 297.301 1.994 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001233331988 943546189 /nfs/dbraw/zinc/54/61/89/943546189.db2.gz SMBJMBOQJSXNKX-LDYMZIIASA-N 1 2 261.243 1.575 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001233331988 943546190 /nfs/dbraw/zinc/54/61/90/943546190.db2.gz SMBJMBOQJSXNKX-LDYMZIIASA-N 1 2 261.243 1.575 20 10 CDCDLO CC(=O)NC1C[NH+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454065 943588551 /nfs/dbraw/zinc/58/85/51/943588551.db2.gz FNTSEVPFIZDXSL-UHFFFAOYSA-N 1 2 288.269 1.731 20 10 CDCDLO Cc1cc(C)c(C[N@@H+]2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235508304 944179542 /nfs/dbraw/zinc/17/95/42/944179542.db2.gz STWGTGNBNXDHKS-UHFFFAOYSA-N 1 2 287.363 1.714 20 10 CDCDLO Cc1cc(C)c(C[N@H+]2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235508304 944179551 /nfs/dbraw/zinc/17/95/51/944179551.db2.gz STWGTGNBNXDHKS-UHFFFAOYSA-N 1 2 287.363 1.714 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001262338415 946592223 /nfs/dbraw/zinc/59/22/23/946592223.db2.gz PPRZNNWASQAQCN-NSHDSACASA-N 1 2 294.351 1.952 20 10 CDCDLO C[C@@H]([NH2+]Cc1nnc[nH]1)c1ccc(N2CCOCC2)cc1 ZINC001333586398 958436602 /nfs/dbraw/zinc/43/66/02/958436602.db2.gz JDEWBGKTQBVLFW-GFCCVEGCSA-N 1 2 287.367 1.492 20 10 CDCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H](C)O1 ZINC000180277111 357257618 /nfs/dbraw/zinc/25/76/18/357257618.db2.gz UTEGJFHBUDNJAU-NOZJJQNGSA-N 1 2 283.299 1.294 20 10 CDCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H](C)O1 ZINC000180277111 357257627 /nfs/dbraw/zinc/25/76/27/357257627.db2.gz UTEGJFHBUDNJAU-NOZJJQNGSA-N 1 2 283.299 1.294 20 10 CDCDLO CC(C)[N@H+](CC(N)=O)Cc1cccc(Cl)c1O ZINC000124514760 390915173 /nfs/dbraw/zinc/91/51/73/390915173.db2.gz NZCOGHHNTXMTHS-UHFFFAOYSA-N 1 2 256.733 1.741 20 10 CDCDLO CC(C)[N@@H+](CC(N)=O)Cc1cccc(Cl)c1O ZINC000124514760 390915174 /nfs/dbraw/zinc/91/51/74/390915174.db2.gz NZCOGHHNTXMTHS-UHFFFAOYSA-N 1 2 256.733 1.741 20 10 CDCDLO Cc1cc(Cl)cc(C[N@@H+]2CCNC(=O)C2)c1O ZINC000179561880 391210808 /nfs/dbraw/zinc/21/08/08/391210808.db2.gz FSDJJRZLQVCZOW-UHFFFAOYSA-N 1 2 254.717 1.286 20 10 CDCDLO Cc1cc(Cl)cc(C[N@H+]2CCNC(=O)C2)c1O ZINC000179561880 391210809 /nfs/dbraw/zinc/21/08/09/391210809.db2.gz FSDJJRZLQVCZOW-UHFFFAOYSA-N 1 2 254.717 1.286 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000372637754 391859630 /nfs/dbraw/zinc/85/96/30/391859630.db2.gz IJEUDFCCZCCRRH-ZJUUUORDSA-N 1 2 259.708 1.950 20 10 CDCDLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc(Cl)c1O ZINC000372637754 391859634 /nfs/dbraw/zinc/85/96/34/391859634.db2.gz IJEUDFCCZCCRRH-ZJUUUORDSA-N 1 2 259.708 1.950 20 10 CDCDLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276145051 285575535 /nfs/dbraw/zinc/57/55/35/285575535.db2.gz CXVJVJNPRVKORC-YUMQZZPRSA-N 1 2 272.295 1.846 20 10 CDCDLO C[C@@H](CCCO)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589821884 1173187476 /nfs/dbraw/zinc/18/74/76/1173187476.db2.gz YTRZJMQZHGQANS-UWVGGRQHSA-N 1 2 291.355 1.384 20 10 CDCDLO COc1cc(Cl)cc(C[N@@H+]2CCNC(=O)C2(C)C)c1O ZINC000184688688 262026127 /nfs/dbraw/zinc/02/61/27/262026127.db2.gz HSSWCOJKODALND-UHFFFAOYSA-N 1 2 298.770 1.765 20 10 CDCDLO COc1cc(Cl)cc(C[N@H+]2CCNC(=O)C2(C)C)c1O ZINC000184688688 262026128 /nfs/dbraw/zinc/02/61/28/262026128.db2.gz HSSWCOJKODALND-UHFFFAOYSA-N 1 2 298.770 1.765 20 10 CDCDLO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252738626 334388357 /nfs/dbraw/zinc/38/83/57/334388357.db2.gz FONGDJPMYXISOB-STQMWFEESA-N 1 2 296.798 1.998 20 10 CDCDLO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252738626 334388358 /nfs/dbraw/zinc/38/83/58/334388358.db2.gz FONGDJPMYXISOB-STQMWFEESA-N 1 2 296.798 1.998 20 10 CDCDLO CN1C(=O)COCC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001272637012 1161169542 /nfs/dbraw/zinc/16/95/42/1161169542.db2.gz JIAUAAWDZMOVOT-UHFFFAOYSA-N 1 2 296.754 1.089 20 10 CDCDLO COC(=O)[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000276408567 523633350 /nfs/dbraw/zinc/63/33/50/523633350.db2.gz FCCOFYAVJXQRDN-LBPRGKRZSA-N 1 2 253.273 1.573 20 10 CDCDLO CS(=O)(=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000279871482 525099887 /nfs/dbraw/zinc/09/98/87/525099887.db2.gz TYQJJHUVJGGONP-UHFFFAOYSA-N 1 2 289.784 1.712 20 10 CDCDLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000278770141 525461284 /nfs/dbraw/zinc/46/12/84/525461284.db2.gz GQWYODJAMHOCTF-UHFFFAOYSA-N 1 2 298.390 1.959 20 10 CDCDLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000278770141 525461293 /nfs/dbraw/zinc/46/12/93/525461293.db2.gz GQWYODJAMHOCTF-UHFFFAOYSA-N 1 2 298.390 1.959 20 10 CDCDLO CCOC(=O)C[N@H+](CCOC)Cc1ccccc1O ZINC000770508702 575455526 /nfs/dbraw/zinc/45/55/26/575455526.db2.gz FISBHHNNOKMZMJ-UHFFFAOYSA-N 1 2 267.325 1.404 20 10 CDCDLO CCOC(=O)C[N@@H+](CCOC)Cc1ccccc1O ZINC000770508702 575455528 /nfs/dbraw/zinc/45/55/28/575455528.db2.gz FISBHHNNOKMZMJ-UHFFFAOYSA-N 1 2 267.325 1.404 20 10 CDCDLO Cn1c[nH+]cc1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000773830909 575840156 /nfs/dbraw/zinc/84/01/56/575840156.db2.gz PKFVKEZAIBAMEZ-HYXAFXHYSA-N 1 2 287.319 1.203 20 10 CDCDLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000738554720 576088062 /nfs/dbraw/zinc/08/80/62/576088062.db2.gz IRERVCSBCJNJOQ-LLVKDONJSA-N 1 2 268.382 1.866 20 10 CDCDLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000738554720 576088066 /nfs/dbraw/zinc/08/80/66/576088066.db2.gz IRERVCSBCJNJOQ-LLVKDONJSA-N 1 2 268.382 1.866 20 10 CDCDLO C[N@@H+](Cc1cc(F)cc(F)c1O)CC1CC(O)C1 ZINC000894533656 618945600 /nfs/dbraw/zinc/94/56/00/618945600.db2.gz OJAFXRKLYRQHRH-UHFFFAOYSA-N 1 2 257.280 1.873 20 10 CDCDLO C[N@H+](Cc1cc(F)cc(F)c1O)CC1CC(O)C1 ZINC000894533656 618945602 /nfs/dbraw/zinc/94/56/02/618945602.db2.gz OJAFXRKLYRQHRH-UHFFFAOYSA-N 1 2 257.280 1.873 20 10 CDCDLO CON(C)C(=O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000895042648 619219670 /nfs/dbraw/zinc/21/96/70/619219670.db2.gz IXYAIFXVBQCQEQ-UHFFFAOYSA-N 1 2 276.695 1.294 20 10 CDCDLO C[C@@H](C[NH3+])NCc1cc(Br)ccc1O ZINC000841062779 621612479 /nfs/dbraw/zinc/61/24/79/621612479.db2.gz FMYCKDJBKNPXRL-ZETCQYMHSA-N 1 2 259.147 1.592 20 10 CDCDLO CN(C)c1ccc(C[N@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000914566446 631516066 /nfs/dbraw/zinc/51/60/66/631516066.db2.gz IVONPMYFYSJYQU-UHFFFAOYSA-N 1 2 289.339 1.947 20 10 CDCDLO CN(C)c1ccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000914566446 631516074 /nfs/dbraw/zinc/51/60/74/631516074.db2.gz IVONPMYFYSJYQU-UHFFFAOYSA-N 1 2 289.339 1.947 20 10 CDCDLO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(F)cc(F)c1O ZINC000840826410 705589551 /nfs/dbraw/zinc/58/95/51/705589551.db2.gz XJYIAYAIGHFICV-RKDXNWHRSA-N 1 2 284.306 1.847 20 10 CDCDLO CCn1cnnc1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886504956 705754122 /nfs/dbraw/zinc/75/41/22/705754122.db2.gz AMUWKDZOMIQQMN-VIFPVBQESA-N 1 2 264.304 1.994 20 10 CDCDLO Cc1cn(C(C)(C)C(=O)NCCc2ccc(N)cc2)c[nH+]1 ZINC000884028463 705832504 /nfs/dbraw/zinc/83/25/04/705832504.db2.gz HUROORIFPCHXDQ-UHFFFAOYSA-N 1 2 286.379 1.868 20 10 CDCDLO CCn1nc(C)c(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000823752727 705953512 /nfs/dbraw/zinc/95/35/12/705953512.db2.gz LJDQDDZYUHKUGS-UHFFFAOYSA-N 1 2 272.352 1.831 20 10 CDCDLO OC[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775668947 706156707 /nfs/dbraw/zinc/15/67/07/706156707.db2.gz AWYXBAQKUHUCKP-QMMMGPOBSA-N 1 2 259.708 1.999 20 10 CDCDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000123404801 709875460 /nfs/dbraw/zinc/87/54/60/709875460.db2.gz SLPVQIUAOZYSIJ-CQSZACIVSA-N 1 2 287.407 1.997 20 10 CDCDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000123404801 709875463 /nfs/dbraw/zinc/87/54/63/709875463.db2.gz SLPVQIUAOZYSIJ-CQSZACIVSA-N 1 2 287.407 1.997 20 10 CDCDLO CC(C)[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)[NH+](C)C ZINC000803493644 709943011 /nfs/dbraw/zinc/94/30/11/709943011.db2.gz PMVHWSQQSQSXAH-CQSZACIVSA-N 1 2 295.335 1.410 20 10 CDCDLO Nc1ccc(CC(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000819011124 710089580 /nfs/dbraw/zinc/08/95/80/710089580.db2.gz QFXKBXWCWCZCGE-LLVKDONJSA-N 1 2 283.322 1.172 20 10 CDCDLO CN(C(=O)/C=C\C[NH+]1CCOCC1)c1ccc(N)cc1 ZINC000877075469 710300006 /nfs/dbraw/zinc/30/00/06/710300006.db2.gz DDEBAHVONONENK-IHWYPQMZSA-N 1 2 275.352 1.120 20 10 CDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2cnn(C)n2)cc1 ZINC000844401433 710322841 /nfs/dbraw/zinc/32/28/41/710322841.db2.gz LGTZACGNZGLUFY-UHFFFAOYSA-N 1 2 289.383 1.392 20 10 CDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cnn(C)n2)cc1 ZINC000844401433 710322844 /nfs/dbraw/zinc/32/28/44/710322844.db2.gz LGTZACGNZGLUFY-UHFFFAOYSA-N 1 2 289.383 1.392 20 10 CDCDLO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000846059849 710434026 /nfs/dbraw/zinc/43/40/26/710434026.db2.gz LBLIWEINSMWRCQ-ZANVPECISA-N 1 2 299.754 1.808 20 10 CDCDLO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000846059849 710434028 /nfs/dbraw/zinc/43/40/28/710434028.db2.gz LBLIWEINSMWRCQ-ZANVPECISA-N 1 2 299.754 1.808 20 10 CDCDLO COc1cccc(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1O ZINC000792193284 711404982 /nfs/dbraw/zinc/40/49/82/711404982.db2.gz UULCJJLWFNEPID-QEAOQQLJSA-N 1 2 283.393 1.742 20 10 CDCDLO COc1cccc(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1O ZINC000792193284 711404984 /nfs/dbraw/zinc/40/49/84/711404984.db2.gz UULCJJLWFNEPID-QEAOQQLJSA-N 1 2 283.393 1.742 20 10 CDCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H](CO)O1 ZINC000787418488 711457673 /nfs/dbraw/zinc/45/76/73/711457673.db2.gz WQRMNMXXDLRWFN-UWVGGRQHSA-N 1 2 271.744 1.627 20 10 CDCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](CO)O1 ZINC000787418488 711457678 /nfs/dbraw/zinc/45/76/78/711457678.db2.gz WQRMNMXXDLRWFN-UWVGGRQHSA-N 1 2 271.744 1.627 20 10 CDCDLO CNC(=O)CC[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775679315 711485988 /nfs/dbraw/zinc/48/59/88/711485988.db2.gz WOANMIQCRZHFNS-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO CNC(=O)CC[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775679315 711485991 /nfs/dbraw/zinc/48/59/91/711485991.db2.gz WOANMIQCRZHFNS-UHFFFAOYSA-N 1 2 274.723 1.753 20 10 CDCDLO CCN(C)c1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000831769977 711578512 /nfs/dbraw/zinc/57/85/12/711578512.db2.gz ZYSZINGZRDPADD-LBPRGKRZSA-N 1 2 261.369 1.463 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000831769977 711578515 /nfs/dbraw/zinc/57/85/15/711578515.db2.gz ZYSZINGZRDPADD-LBPRGKRZSA-N 1 2 261.369 1.463 20 10 CDCDLO C[C@@H]([NH2+]CCN1CCCC1=O)c1cc(F)cc(F)c1O ZINC000846204636 711601377 /nfs/dbraw/zinc/60/13/77/711601377.db2.gz AFNMQOPSOMUHQZ-SECBINFHSA-N 1 2 284.306 1.943 20 10 CDCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)NCCF ZINC000800530836 711605451 /nfs/dbraw/zinc/60/54/51/711605451.db2.gz VZWCFQKQXSRZJE-ZETCQYMHSA-N 1 2 292.713 1.749 20 10 CDCDLO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000789775818 711670605 /nfs/dbraw/zinc/67/06/05/711670605.db2.gz BZUJIWGIJNQNLG-ISVAXAHUSA-N 1 2 289.734 1.814 20 10 CDCDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cccc(O)c1O ZINC000857947134 711697112 /nfs/dbraw/zinc/69/71/12/711697112.db2.gz LETRIXSJHMLLTB-SECBINFHSA-N 1 2 273.292 1.039 20 10 CDCDLO C[C@@]1(C[NH2+]Cc2cccc(Cl)c2O)CCC(=O)N1 ZINC000835060055 711766046 /nfs/dbraw/zinc/76/60/46/711766046.db2.gz IFFCJZMWQRXZCX-ZDUSSCGKSA-N 1 2 268.744 1.804 20 10 CDCDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1F ZINC001137841738 936420583 /nfs/dbraw/zinc/42/05/83/936420583.db2.gz SDMKAPMCEXSORV-LBPRGKRZSA-N 1 2 266.316 1.632 20 10 CDCDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1F ZINC001137841738 936420585 /nfs/dbraw/zinc/42/05/85/936420585.db2.gz SDMKAPMCEXSORV-LBPRGKRZSA-N 1 2 266.316 1.632 20 10 CDCDLO OC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC001237617197 917521682 /nfs/dbraw/zinc/52/16/82/917521682.db2.gz MOVCJBBACTZCSN-QPUJVOFHSA-N 1 2 289.734 1.360 20 10 CDCDLO OC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC001237617197 917521698 /nfs/dbraw/zinc/52/16/98/917521698.db2.gz MOVCJBBACTZCSN-QPUJVOFHSA-N 1 2 289.734 1.360 20 10 CDCDLO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)c1O ZINC001138130846 936476588 /nfs/dbraw/zinc/47/65/88/936476588.db2.gz JJASABVXVNPDAG-RYUDHWBXSA-N 1 2 250.317 1.810 20 10 CDCDLO CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)c1O ZINC001138130846 936476591 /nfs/dbraw/zinc/47/65/91/936476591.db2.gz JJASABVXVNPDAG-RYUDHWBXSA-N 1 2 250.317 1.810 20 10 CDCDLO COC(=O)CC[N@H+](C)Cc1c(O)cc(F)cc1F ZINC001140584490 936727692 /nfs/dbraw/zinc/72/76/92/936727692.db2.gz TWLGROOZOGBLHF-UHFFFAOYSA-N 1 2 259.252 1.665 20 10 CDCDLO COC(=O)CC[N@@H+](C)Cc1c(O)cc(F)cc1F ZINC001140584490 936727693 /nfs/dbraw/zinc/72/76/93/936727693.db2.gz TWLGROOZOGBLHF-UHFFFAOYSA-N 1 2 259.252 1.665 20 10 CDCDLO COc1cc(O)c(C[NH+]2CCN(C3CC3)CC2)c(OC)c1 ZINC001141031799 936795603 /nfs/dbraw/zinc/79/56/03/936795603.db2.gz MBIVJOFSLATXHE-UHFFFAOYSA-N 1 2 292.379 1.689 20 10 CDCDLO Cc1ccc(O)c(CNC(=O)NCCn2cc[nH+]c2)c1 ZINC000858272670 928830383 /nfs/dbraw/zinc/83/03/83/928830383.db2.gz LOFYUZICGMXZBJ-UHFFFAOYSA-N 1 2 274.324 1.397 20 10 CDCDLO CN1CCC2(C[NH+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001231913480 943050208 /nfs/dbraw/zinc/05/02/08/943050208.db2.gz KIDNPYBWQKCFSN-UHFFFAOYSA-N 1 2 280.755 1.710 20 10 CDCDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232267568 943196867 /nfs/dbraw/zinc/19/68/67/943196867.db2.gz JQTNVUUPSJRBIV-JTQLQIEISA-N 1 2 284.743 1.591 20 10 CDCDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232267568 943196883 /nfs/dbraw/zinc/19/68/83/943196883.db2.gz JQTNVUUPSJRBIV-JTQLQIEISA-N 1 2 284.743 1.591 20 10 CDCDLO C[C@@]1(CO)C[N@H+](Cc2c(O)ccc(F)c2F)CC[C@@H]1O ZINC001233332803 943546872 /nfs/dbraw/zinc/54/68/72/943546872.db2.gz YACCPBARVLAEHE-JSGCOSHPSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@@]1(CO)C[N@@H+](Cc2c(O)ccc(F)c2F)CC[C@@H]1O ZINC001233332803 943546875 /nfs/dbraw/zinc/54/68/75/943546875.db2.gz YACCPBARVLAEHE-JSGCOSHPSA-N 1 2 287.306 1.236 20 10 CDCDLO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC(=O)N1 ZINC001233452183 943588492 /nfs/dbraw/zinc/58/84/92/943588492.db2.gz NCCZWIHQDGVPQO-MRVPVSSYSA-N 1 2 288.269 1.731 20 10 CDCDLO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC(=O)N1 ZINC001233452183 943588496 /nfs/dbraw/zinc/58/84/96/943588496.db2.gz NCCZWIHQDGVPQO-MRVPVSSYSA-N 1 2 288.269 1.731 20 10 CDCDLO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(O)c(O)cc1O ZINC001233485783 943593983 /nfs/dbraw/zinc/59/39/83/943593983.db2.gz KNDJOXILGCLFIA-PHIMTYICSA-N 1 2 277.320 1.889 20 10 CDCDLO O=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(O)c(O)cc1O ZINC001233485783 943593986 /nfs/dbraw/zinc/59/39/86/943593986.db2.gz KNDJOXILGCLFIA-PHIMTYICSA-N 1 2 277.320 1.889 20 10 CDCDLO C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C[C@@H]1CCC[NH2+]1 ZINC001236120815 944409474 /nfs/dbraw/zinc/40/94/74/944409474.db2.gz XNXKFLJLHJWNDN-LBPRGKRZSA-N 1 2 264.325 1.274 20 10 CDCDLO C[N@H+](Cc1cc(C(=O)[O-])ccc1O)C[C@@H]1CCC[NH2+]1 ZINC001236120815 944409479 /nfs/dbraw/zinc/40/94/79/944409479.db2.gz XNXKFLJLHJWNDN-LBPRGKRZSA-N 1 2 264.325 1.274 20 10 CDCDLO NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236833762 944584510 /nfs/dbraw/zinc/58/45/10/944584510.db2.gz QCVSAVZJJTUQDE-KBPBESRZSA-N 1 2 288.322 1.943 20 10 CDCDLO NC(=O)[C@@H]1C[C@H](F)C[N@H+]1Cc1cc2ccccc2cc1O ZINC001236833762 944584514 /nfs/dbraw/zinc/58/45/14/944584514.db2.gz QCVSAVZJJTUQDE-KBPBESRZSA-N 1 2 288.322 1.943 20 10 CDCDLO COc1cc(C[N@@H+]2CCOCC23CC3)c(O)c(OC)c1 ZINC001237680249 944924168 /nfs/dbraw/zinc/92/41/68/944924168.db2.gz INTBQLOOAPNQPR-UHFFFAOYSA-N 1 2 279.336 1.774 20 10 CDCDLO COc1cc(C[N@H+]2CCOCC23CC3)c(O)c(OC)c1 ZINC001237680249 944924178 /nfs/dbraw/zinc/92/41/78/944924178.db2.gz INTBQLOOAPNQPR-UHFFFAOYSA-N 1 2 279.336 1.774 20 10 CDCDLO COC[C@H]1COCC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238066083 945049098 /nfs/dbraw/zinc/04/90/98/945049098.db2.gz HQJMJJWFKJHMGY-ZDUSSCGKSA-N 1 2 269.316 1.687 20 10 CDCDLO COC[C@H]1COCC[N@H+]1Cc1cc(F)cc(C)c1O ZINC001238066083 945049108 /nfs/dbraw/zinc/04/91/08/945049108.db2.gz HQJMJJWFKJHMGY-ZDUSSCGKSA-N 1 2 269.316 1.687 20 10 CDCDLO Cn1ncc2c1nc[nH+]c2NCc1c(O)cccc1O ZINC001307216417 956380746 /nfs/dbraw/zinc/38/07/46/956380746.db2.gz TWVINFVUVGZMIA-UHFFFAOYSA-N 1 2 271.280 1.387 20 10 CDCDLO CN(C)c1ccc(C[N@@H+]2CCC[NH2+]C[C@H]2C(=O)[O-])cc1F ZINC001598317708 991306363 /nfs/dbraw/zinc/30/63/63/991306363.db2.gz KGCQAWBQUHIAJJ-AWEZNQCLSA-N 1 2 295.358 1.140 20 10 CDCDLO CN(C)c1ccc(C[N@H+]2CCC[NH2+]C[C@H]2C(=O)[O-])cc1F ZINC001598317708 991306375 /nfs/dbraw/zinc/30/63/75/991306375.db2.gz KGCQAWBQUHIAJJ-AWEZNQCLSA-N 1 2 295.358 1.140 20 10 CDCDLO COCC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001605080201 1163445588 /nfs/dbraw/zinc/44/55/88/1163445588.db2.gz WSYWFGLONDFYSQ-UWVGGRQHSA-N 1 2 291.355 1.648 20 10 CDCDLO OC[C@@H]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2O)O1 ZINC000293912944 198824839 /nfs/dbraw/zinc/82/48/39/198824839.db2.gz LXQWWOPGUMHUAM-MNOVXSKESA-N 1 2 271.744 1.675 20 10 CDCDLO CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000180283850 357257719 /nfs/dbraw/zinc/25/77/19/357257719.db2.gz JJSISJAGUOLISD-GFCCVEGCSA-N 1 2 298.770 1.383 20 10 CDCDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000180283850 357257724 /nfs/dbraw/zinc/25/77/24/357257724.db2.gz JJSISJAGUOLISD-GFCCVEGCSA-N 1 2 298.770 1.383 20 10 CDCDLO COC(=O)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000272865201 365425721 /nfs/dbraw/zinc/42/57/21/365425721.db2.gz FTQDOMLNKOWBPW-CQSZACIVSA-N 1 2 261.321 1.663 20 10 CDCDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093055444 390899288 /nfs/dbraw/zinc/89/92/88/390899288.db2.gz ABGDUERHLVBALG-AWEZNQCLSA-N 1 2 292.335 1.077 20 10 CDCDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093055444 390899290 /nfs/dbraw/zinc/89/92/90/390899290.db2.gz ABGDUERHLVBALG-AWEZNQCLSA-N 1 2 292.335 1.077 20 10 CDCDLO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(F)c(F)c1O ZINC000276935603 328220323 /nfs/dbraw/zinc/22/03/23/328220323.db2.gz OXWAGERGUNSWFR-HTQZYQBOSA-N 1 2 270.279 1.552 20 10 CDCDLO CCN(C)c1ccc(C[N@H+](CCOC)CC(=O)OC)cc1 ZINC000773757334 575838072 /nfs/dbraw/zinc/83/80/72/575838072.db2.gz PAGCSAZYLOMQSG-UHFFFAOYSA-N 1 2 294.395 1.764 20 10 CDCDLO CCN(C)c1ccc(C[N@@H+](CCOC)CC(=O)OC)cc1 ZINC000773757334 575838074 /nfs/dbraw/zinc/83/80/74/575838074.db2.gz PAGCSAZYLOMQSG-UHFFFAOYSA-N 1 2 294.395 1.764 20 10 CDCDLO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(F)cc(F)c1O ZINC000756433162 576990334 /nfs/dbraw/zinc/99/03/34/576990334.db2.gz AFYSJTDYSCALEC-PSASIEDQSA-N 1 2 273.279 1.736 20 10 CDCDLO CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756532510 576993963 /nfs/dbraw/zinc/99/39/63/576993963.db2.gz COVLZOKVZCCSGC-MRVPVSSYSA-N 1 2 293.335 1.756 20 10 CDCDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000756809831 577005931 /nfs/dbraw/zinc/00/59/31/577005931.db2.gz RVQYJXLJIJSZRP-SECBINFHSA-N 1 2 277.349 1.817 20 10 CDCDLO Cc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)c(O)c1O ZINC000751537683 577049423 /nfs/dbraw/zinc/04/94/23/577049423.db2.gz GZPWUPZCBXCREJ-UHFFFAOYSA-N 1 2 297.314 1.984 20 10 CDCDLO NC(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2O)on1 ZINC000757906974 577060158 /nfs/dbraw/zinc/06/01/58/577060158.db2.gz QLJCVSVNIQLSTR-UHFFFAOYSA-N 1 2 281.699 1.422 20 10 CDCDLO COc1cc(C)cc(C[N@@H+]2CCNC(=O)[C@H]2C)c1O ZINC000893984949 618237689 /nfs/dbraw/zinc/23/76/89/618237689.db2.gz VPPUTIFDGVZHDB-SNVBAGLBSA-N 1 2 264.325 1.030 20 10 CDCDLO COc1cc(C)cc(C[N@H+]2CCNC(=O)[C@H]2C)c1O ZINC000893984949 618237691 /nfs/dbraw/zinc/23/76/91/618237691.db2.gz VPPUTIFDGVZHDB-SNVBAGLBSA-N 1 2 264.325 1.030 20 10 CDCDLO C[C@H]([NH2+]Cc1nnn(C)n1)c1cc(Cl)ccc1O ZINC000787042643 621316534 /nfs/dbraw/zinc/31/65/34/621316534.db2.gz PACHTZQQDRHKNW-ZETCQYMHSA-N 1 2 267.720 1.420 20 10 CDCDLO CO[C@@H](C)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591467722 1173655992 /nfs/dbraw/zinc/65/59/92/1173655992.db2.gz VVPOUVHJXLLDCS-IUCAKERBSA-N 1 2 277.328 1.258 20 10 CDCDLO CC[C@@H]([NH2+]CCF)c1cccc(-c2nn[nH]n2)c1O ZINC001604054957 1175736005 /nfs/dbraw/zinc/73/60/05/1175736005.db2.gz JWGXJAZJVPLGGA-SNVBAGLBSA-N 1 2 265.292 1.583 20 10 CDCDLO CC[N@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000789596085 711839591 /nfs/dbraw/zinc/83/95/91/711839591.db2.gz KMMLTOWZQGNBHO-UHFFFAOYSA-N 1 2 260.696 1.492 20 10 CDCDLO CC[N@@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000789596085 711839595 /nfs/dbraw/zinc/83/95/95/711839595.db2.gz KMMLTOWZQGNBHO-UHFFFAOYSA-N 1 2 260.696 1.492 20 10 CDCDLO Oc1ccccc1C[N@@H+](Cc1cnon1)C[C@H]1CCCO1 ZINC000851840932 711885792 /nfs/dbraw/zinc/88/57/92/711885792.db2.gz MCLDPDXGICVZTC-CQSZACIVSA-N 1 2 289.335 1.956 20 10 CDCDLO Oc1ccccc1C[N@H+](Cc1cnon1)C[C@H]1CCCO1 ZINC000851840932 711885795 /nfs/dbraw/zinc/88/57/95/711885795.db2.gz MCLDPDXGICVZTC-CQSZACIVSA-N 1 2 289.335 1.956 20 10 CDCDLO CCc1cccc(CN2CC[N@H+](CCO)C(C)(C)C2)c1O ZINC000848905567 711972969 /nfs/dbraw/zinc/97/29/69/711972969.db2.gz LJVLOFZQCDJTPW-UHFFFAOYSA-N 1 2 292.423 1.843 20 10 CDCDLO CCc1cccc(CN2CC[N@@H+](CCO)C(C)(C)C2)c1O ZINC000848905567 711972971 /nfs/dbraw/zinc/97/29/71/711972971.db2.gz LJVLOFZQCDJTPW-UHFFFAOYSA-N 1 2 292.423 1.843 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)c(O)c1 ZINC000800539430 712088186 /nfs/dbraw/zinc/08/81/86/712088186.db2.gz YFAMVEMMUCBQDR-UHFFFAOYSA-N 1 2 278.352 1.501 20 10 CDCDLO CCOc1ccc(C[N@H+]2CC(=O)NCC2(C)C)c(O)c1 ZINC000800539430 712088188 /nfs/dbraw/zinc/08/81/88/712088188.db2.gz YFAMVEMMUCBQDR-UHFFFAOYSA-N 1 2 278.352 1.501 20 10 CDCDLO Oc1c(CN2CC[N@@H+]3CCC[C@@H]3C2)ccc(F)c1F ZINC000703447899 712343806 /nfs/dbraw/zinc/34/38/06/712343806.db2.gz NPLNDQUVNMNLII-LLVKDONJSA-N 1 2 268.307 1.950 20 10 CDCDLO Oc1c(CN2CC[N@H+]3CCC[C@@H]3C2)ccc(F)c1F ZINC000703447899 712343807 /nfs/dbraw/zinc/34/38/07/712343807.db2.gz NPLNDQUVNMNLII-LLVKDONJSA-N 1 2 268.307 1.950 20 10 CDCDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1c(O)cccc1OC ZINC000809773407 712726447 /nfs/dbraw/zinc/72/64/47/712726447.db2.gz RGYLOGUHKXZZQN-LLVKDONJSA-N 1 2 295.335 1.165 20 10 CDCDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1c(O)cccc1OC ZINC000809773407 712726450 /nfs/dbraw/zinc/72/64/50/712726450.db2.gz RGYLOGUHKXZZQN-LLVKDONJSA-N 1 2 295.335 1.165 20 10 CDCDLO CN1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2O)C1=O ZINC000708398528 897541685 /nfs/dbraw/zinc/54/16/85/897541685.db2.gz GFWGXZXUHGWAPQ-LLVKDONJSA-N 1 2 270.279 1.333 20 10 CDCDLO CN1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2O)C1=O ZINC000708398528 897541694 /nfs/dbraw/zinc/54/16/94/897541694.db2.gz GFWGXZXUHGWAPQ-LLVKDONJSA-N 1 2 270.279 1.333 20 10 CDCDLO O=C(Cc1c[nH+]c[nH]1)N1CCCc2cc(O)c(O)cc2C1 ZINC001176831528 914290078 /nfs/dbraw/zinc/29/00/78/914290078.db2.gz VJWPGOHILVLXCC-UHFFFAOYSA-N 1 2 287.319 1.338 20 10 CDCDLO Oc1cccc(F)c1C[N@@H+]1CCc2ncncc2C1 ZINC001137837598 936419138 /nfs/dbraw/zinc/41/91/38/936419138.db2.gz MZLAVKULVBJMMD-UHFFFAOYSA-N 1 2 259.284 1.880 20 10 CDCDLO Oc1cccc(F)c1C[N@H+]1CCc2ncncc2C1 ZINC001137837598 936419139 /nfs/dbraw/zinc/41/91/39/936419139.db2.gz MZLAVKULVBJMMD-UHFFFAOYSA-N 1 2 259.284 1.880 20 10 CDCDLO CC(=O)N1CC[N@@H+](Cc2cccc(F)c2O)C[C@@H]1C ZINC001138129671 936475660 /nfs/dbraw/zinc/47/56/60/936475660.db2.gz QFYHKRLKDVUASR-JTQLQIEISA-N 1 2 266.316 1.584 20 10 CDCDLO CC(=O)N1CC[N@H+](Cc2cccc(F)c2O)C[C@@H]1C ZINC001138129671 936475662 /nfs/dbraw/zinc/47/56/62/936475662.db2.gz QFYHKRLKDVUASR-JTQLQIEISA-N 1 2 266.316 1.584 20 10 CDCDLO COc1cccc(C[NH2+][C@@H](C)c2ncn(C)n2)c1O ZINC000391810864 936660191 /nfs/dbraw/zinc/66/01/91/936660191.db2.gz NQTNYLYSGZGZHW-VIFPVBQESA-N 1 2 262.313 1.380 20 10 CDCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001140582981 936727169 /nfs/dbraw/zinc/72/71/69/936727169.db2.gz RQUMPGIDFWNAEL-PWSUYJOCSA-N 1 2 275.270 1.965 20 10 CDCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001140582981 936727170 /nfs/dbraw/zinc/72/71/70/936727170.db2.gz RQUMPGIDFWNAEL-PWSUYJOCSA-N 1 2 275.270 1.965 20 10 CDCDLO Oc1cc(F)cc(F)c1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001140585327 936728255 /nfs/dbraw/zinc/72/82/55/936728255.db2.gz FOXKHWQADWMBPD-JTQLQIEISA-N 1 2 254.280 1.560 20 10 CDCDLO Oc1cc(F)cc(F)c1CN1CC[N@H+]2CC[C@H]2C1 ZINC001140585327 936728257 /nfs/dbraw/zinc/72/82/57/936728257.db2.gz FOXKHWQADWMBPD-JTQLQIEISA-N 1 2 254.280 1.560 20 10 CDCDLO CC(C)C(=O)NCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708517467 923201486 /nfs/dbraw/zinc/20/14/86/923201486.db2.gz PYCYGMUXWGZIGY-UHFFFAOYSA-N 1 2 272.295 1.532 20 10 CDCDLO CN1CCOc2cc(C[N@@H+]3CCNC(=O)C3(C)C)ccc21 ZINC001141143332 936819309 /nfs/dbraw/zinc/81/93/09/936819309.db2.gz VCRWNQKVDMGUKR-UHFFFAOYSA-N 1 2 289.379 1.226 20 10 CDCDLO CN1CCOc2cc(C[N@H+]3CCNC(=O)C3(C)C)ccc21 ZINC001141143332 936819310 /nfs/dbraw/zinc/81/93/10/936819310.db2.gz VCRWNQKVDMGUKR-UHFFFAOYSA-N 1 2 289.379 1.226 20 10 CDCDLO CC(C)CC(=O)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161267 936823299 /nfs/dbraw/zinc/82/32/99/936823299.db2.gz QKIKWWUIJSNYHV-UHFFFAOYSA-N 1 2 292.379 1.788 20 10 CDCDLO COC1(C)C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000839101486 936904342 /nfs/dbraw/zinc/90/43/42/936904342.db2.gz DGCJGJPAKZIIMG-UHFFFAOYSA-N 1 2 251.282 1.342 20 10 CDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1c[nH+]cn1C ZINC001154027612 937493946 /nfs/dbraw/zinc/49/39/46/937493946.db2.gz XEFJHGANOXXJAA-JTQLQIEISA-N 1 2 289.335 1.121 20 10 CDCDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001120677686 937824880 /nfs/dbraw/zinc/82/48/80/937824880.db2.gz WVMOOCSUBBAVKH-CYBMUJFWSA-N 1 2 299.378 1.701 20 10 CDCDLO Cc1cn(C(C)(C)C(=O)NCc2c(O)cccc2O)c[nH+]1 ZINC001156886032 938428821 /nfs/dbraw/zinc/42/88/21/938428821.db2.gz RWKPFYNZUSTWAN-UHFFFAOYSA-N 1 2 289.335 1.654 20 10 CDCDLO COc1cc(O)c(C[NH+]2CC(N(C)C(C)=O)C2)cc1OC ZINC001236757053 944559371 /nfs/dbraw/zinc/55/93/71/944559371.db2.gz WSACBWCWMJUAKO-UHFFFAOYSA-N 1 2 294.351 1.072 20 10 CDCDLO COc1ccc(CN2CC[NH+](C)CC2)c(O)c1Cl ZINC001236806368 944573954 /nfs/dbraw/zinc/57/39/54/944573954.db2.gz VQALDHATCIWWDY-UHFFFAOYSA-N 1 2 270.760 1.802 20 10 CDCDLO COc1cc(C[N@@H+]2CCC(=O)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237674893 944921530 /nfs/dbraw/zinc/92/15/30/944921530.db2.gz MVQROSJHFAVLTK-JTQLQIEISA-N 1 2 279.336 1.820 20 10 CDCDLO COc1cc(C[N@H+]2CCC(=O)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237674893 944921532 /nfs/dbraw/zinc/92/15/32/944921532.db2.gz MVQROSJHFAVLTK-JTQLQIEISA-N 1 2 279.336 1.820 20 10 CDCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(N)=O)CC2)c1O ZINC001237687919 944927086 /nfs/dbraw/zinc/92/70/86/944927086.db2.gz YKCBDNXUTGYMBV-UHFFFAOYSA-N 1 2 283.759 1.550 20 10 CDCDLO CCN1C[C@@H](C)[N@H+](Cc2cc(F)cc(C)c2O)CC1=O ZINC001238066806 945049149 /nfs/dbraw/zinc/04/91/49/945049149.db2.gz LMUDZQHINRVQDA-LLVKDONJSA-N 1 2 280.343 1.892 20 10 CDCDLO CCN1C[C@@H](C)[N@@H+](Cc2cc(F)cc(C)c2O)CC1=O ZINC001238066806 945049159 /nfs/dbraw/zinc/04/91/59/945049159.db2.gz LMUDZQHINRVQDA-LLVKDONJSA-N 1 2 280.343 1.892 20 10 CDCDLO O=C(CN[C@H]1CC2CC[NH+](CC2)C1)c1ccc(O)c(O)c1 ZINC001254849539 947627268 /nfs/dbraw/zinc/62/72/68/947627268.db2.gz VCTULOQMMQDHAL-ZDUSSCGKSA-N 1 2 290.363 1.354 20 10 CDCDLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(N)cc1 ZINC001522215810 970409761 /nfs/dbraw/zinc/40/97/61/970409761.db2.gz GQWYKJNGIAVEOX-LLVKDONJSA-N 1 2 270.336 1.691 20 10 CDCDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(OC)ccc1O ZINC000180422492 342537804 /nfs/dbraw/zinc/53/78/04/342537804.db2.gz YSOZTKUQAWXDNZ-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(OC)ccc1O ZINC000180422492 342537805 /nfs/dbraw/zinc/53/78/05/342537805.db2.gz YSOZTKUQAWXDNZ-UHFFFAOYSA-N 1 2 287.381 1.267 20 10 CDCDLO COC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298694498 356910403 /nfs/dbraw/zinc/91/04/03/356910403.db2.gz FHBZMXJRGCQNHT-UHFFFAOYSA-N 1 2 262.353 1.890 20 10 CDCDLO COC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298694498 356910408 /nfs/dbraw/zinc/91/04/08/356910408.db2.gz FHBZMXJRGCQNHT-UHFFFAOYSA-N 1 2 262.353 1.890 20 10 CDCDLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000180681912 357283231 /nfs/dbraw/zinc/28/32/31/357283231.db2.gz YNOIJUXTDXMGEU-VIFPVBQESA-N 1 2 270.760 1.860 20 10 CDCDLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180681912 357283233 /nfs/dbraw/zinc/28/32/33/357283233.db2.gz YNOIJUXTDXMGEU-VIFPVBQESA-N 1 2 270.760 1.860 20 10 CDCDLO C[C@@H]([NH2+]CC1(CO)COC1)c1ccc(F)c(F)c1O ZINC000187801282 357808542 /nfs/dbraw/zinc/80/85/42/357808542.db2.gz IOLWYWILHDFHGV-MRVPVSSYSA-N 1 2 273.279 1.330 20 10 CDCDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000188787863 357937272 /nfs/dbraw/zinc/93/72/72/357937272.db2.gz YPGUNYQQPGBQBA-CHWSQXEVSA-N 1 2 283.299 1.030 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CCc3c(ncn3C)C2)c1 ZINC000375014413 370780652 /nfs/dbraw/zinc/78/06/52/370780652.db2.gz SQOZTVJSTIPJKQ-UHFFFAOYSA-N 1 2 273.336 1.693 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CCc3c(ncn3C)C2)c1 ZINC000375014413 370780655 /nfs/dbraw/zinc/78/06/55/370780655.db2.gz SQOZTVJSTIPJKQ-UHFFFAOYSA-N 1 2 273.336 1.693 20 10 CDCDLO COc1ccc(O)c(CN2CCc3c([nH+]cn3C)C2)c1 ZINC000375014413 370780659 /nfs/dbraw/zinc/78/06/59/370780659.db2.gz SQOZTVJSTIPJKQ-UHFFFAOYSA-N 1 2 273.336 1.693 20 10 CDCDLO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(F)c(F)c1O ZINC000187774708 296133822 /nfs/dbraw/zinc/13/38/22/296133822.db2.gz UVGHQCMYAOKYMC-ZJUUUORDSA-N 1 2 286.322 1.652 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184688341 262026289 /nfs/dbraw/zinc/02/62/89/262026289.db2.gz PXUDJYHNEDQOIJ-NSHDSACASA-N 1 2 298.770 1.765 20 10 CDCDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184688341 262026291 /nfs/dbraw/zinc/02/62/91/262026291.db2.gz PXUDJYHNEDQOIJ-NSHDSACASA-N 1 2 298.770 1.765 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1O ZINC000186522430 329344924 /nfs/dbraw/zinc/34/49/24/329344924.db2.gz IIFKKOIMKRCMHG-RYUDHWBXSA-N 1 2 299.754 1.176 20 10 CDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1O ZINC000186522430 329344926 /nfs/dbraw/zinc/34/49/26/329344926.db2.gz IIFKKOIMKRCMHG-RYUDHWBXSA-N 1 2 299.754 1.176 20 10 CDCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278332731 521872690 /nfs/dbraw/zinc/87/26/90/521872690.db2.gz ZMSCFTYSRAHOOR-ZJUUUORDSA-N 1 2 296.323 1.918 20 10 CDCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278332731 521872700 /nfs/dbraw/zinc/87/27/00/521872700.db2.gz ZMSCFTYSRAHOOR-ZJUUUORDSA-N 1 2 296.323 1.918 20 10 CDCDLO C[N@H+](Cc1cscn1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768442852 576283652 /nfs/dbraw/zinc/28/36/52/576283652.db2.gz OLYRYEIZIHDGBX-CYBMUJFWSA-N 1 2 292.360 1.907 20 10 CDCDLO C[N@@H+](Cc1cscn1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768442852 576283653 /nfs/dbraw/zinc/28/36/53/576283653.db2.gz OLYRYEIZIHDGBX-CYBMUJFWSA-N 1 2 292.360 1.907 20 10 CDCDLO COC[C@@H](O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756777038 577003827 /nfs/dbraw/zinc/00/38/27/577003827.db2.gz GAPWWPMTFYPQPD-SCZZXKLOSA-N 1 2 275.295 1.718 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000935946270 617598251 /nfs/dbraw/zinc/59/82/51/617598251.db2.gz CXKZTZXEKRLKFZ-LBPRGKRZSA-N 1 2 297.395 1.978 20 10 CDCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000935946270 617598252 /nfs/dbraw/zinc/59/82/52/617598252.db2.gz CXKZTZXEKRLKFZ-LBPRGKRZSA-N 1 2 297.395 1.978 20 10 CDCDLO Oc1cc2c(cc1C[N@@H+]1CCn3cccc3C1)[C@H](O)CO2 ZINC000905745541 626957875 /nfs/dbraw/zinc/95/78/75/626957875.db2.gz NUKPAAYTGVZHDG-OAHLLOKOSA-N 1 2 286.331 1.635 20 10 CDCDLO Oc1cc2c(cc1C[N@H+]1CCn3cccc3C1)[C@H](O)CO2 ZINC000905745541 626957876 /nfs/dbraw/zinc/95/78/76/626957876.db2.gz NUKPAAYTGVZHDG-OAHLLOKOSA-N 1 2 286.331 1.635 20 10 CDCDLO COC(=O)C1C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001142509083 1160689372 /nfs/dbraw/zinc/68/93/72/1160689372.db2.gz WKWYOEFBMWPUJA-UHFFFAOYSA-N 1 2 257.236 1.275 20 10 CDCDLO CC(=O)N1CC[N@@H+](Cc2c(O)cccc2F)C[C@H]1C ZINC001137840322 1167031175 /nfs/dbraw/zinc/03/11/75/1167031175.db2.gz XIJPZDDTROXFJK-SNVBAGLBSA-N 1 2 266.316 1.584 20 10 CDCDLO CC(=O)N1CC[N@H+](Cc2c(O)cccc2F)C[C@H]1C ZINC001137840322 1167031179 /nfs/dbraw/zinc/03/11/79/1167031179.db2.gz XIJPZDDTROXFJK-SNVBAGLBSA-N 1 2 266.316 1.584 20 10 CDCDLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(F)cc2O)n1C ZINC000393157185 1187285310 /nfs/dbraw/zinc/28/53/10/1187285310.db2.gz RQUDNSBAOAPALL-QMMMGPOBSA-N 1 2 264.304 1.819 20 10 CDCDLO [NH3+][C@H]1CN(Cc2ccc(O)cc2O)CCC1(F)F ZINC001206655295 1167172978 /nfs/dbraw/zinc/17/29/78/1167172978.db2.gz GQJKEJKZHGPVMA-NSHDSACASA-N 1 2 258.268 1.266 20 10 CDCDLO COc1cccc(CNC(=O)CCc2c[nH]c[nH+]2)c1O ZINC000280034112 897854318 /nfs/dbraw/zinc/85/43/18/897854318.db2.gz UZRHQIYVKDRESC-UHFFFAOYSA-N 1 2 275.308 1.373 20 10 CDCDLO COc1cccc(CNC(=O)CCc2c[nH+]c[nH]2)c1O ZINC000280034112 897854331 /nfs/dbraw/zinc/85/43/31/897854331.db2.gz UZRHQIYVKDRESC-UHFFFAOYSA-N 1 2 275.308 1.373 20 10 CDCDLO Oc1cc(Cl)ccc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC001140461188 936712074 /nfs/dbraw/zinc/71/20/74/936712074.db2.gz GOZOAAYDFKCCOD-AWEZNQCLSA-N 1 2 296.798 1.952 20 10 CDCDLO Oc1cc(Cl)ccc1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001140461188 936712076 /nfs/dbraw/zinc/71/20/76/936712076.db2.gz GOZOAAYDFKCCOD-AWEZNQCLSA-N 1 2 296.798 1.952 20 10 CDCDLO Oc1cc(F)cc(F)c1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140584636 936728188 /nfs/dbraw/zinc/72/81/88/936728188.db2.gz ZYKKMCMTSAEQRY-ISVAXAHUSA-N 1 2 255.264 1.891 20 10 CDCDLO Oc1cc(F)cc(F)c1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140584636 936728190 /nfs/dbraw/zinc/72/81/90/936728190.db2.gz ZYKKMCMTSAEQRY-ISVAXAHUSA-N 1 2 255.264 1.891 20 10 CDCDLO COC[C@@H]1COCC[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141031051 936794753 /nfs/dbraw/zinc/79/47/53/936794753.db2.gz WCNCNLPIKFKRIK-LLVKDONJSA-N 1 2 297.351 1.257 20 10 CDCDLO COC[C@@H]1COCC[N@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141031051 936794754 /nfs/dbraw/zinc/79/47/54/936794754.db2.gz WCNCNLPIKFKRIK-LLVKDONJSA-N 1 2 297.351 1.257 20 10 CDCDLO CN1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(F)c2O)C1=O ZINC000775710106 924874874 /nfs/dbraw/zinc/87/48/74/924874874.db2.gz IVBBNCDRRIEIFY-LLVKDONJSA-N 1 2 286.734 1.847 20 10 CDCDLO CN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2O)C1=O ZINC000775710106 924874879 /nfs/dbraw/zinc/87/48/79/924874879.db2.gz IVBBNCDRRIEIFY-LLVKDONJSA-N 1 2 286.734 1.847 20 10 CDCDLO CO[C@@H]1COC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000843428215 937148186 /nfs/dbraw/zinc/14/81/86/937148186.db2.gz UTLDNWKYBRTHLT-GHMZBOCLSA-N 1 2 257.717 1.549 20 10 CDCDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000817415404 930528908 /nfs/dbraw/zinc/52/89/08/930528908.db2.gz SELLJZVLICLBHD-SNVBAGLBSA-N 1 2 286.734 1.895 20 10 CDCDLO C[C@@H](C(=O)NCc1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC001116566128 937456792 /nfs/dbraw/zinc/45/67/92/937456792.db2.gz PZEWHUHGBITTOP-VIFPVBQESA-N 1 2 261.281 1.172 20 10 CDCDLO CCOc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC000824910240 931484870 /nfs/dbraw/zinc/48/48/70/931484870.db2.gz UCXRSPYNWVELQY-JTQLQIEISA-N 1 2 264.325 1.111 20 10 CDCDLO CCOc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC000824910240 931484871 /nfs/dbraw/zinc/48/48/71/931484871.db2.gz UCXRSPYNWVELQY-JTQLQIEISA-N 1 2 264.325 1.111 20 10 CDCDLO Cc1cccc(O)c1C[N@H+]1C[C@]2(F)CN(C)C(=O)[C@]2(F)C1 ZINC001274304013 931489377 /nfs/dbraw/zinc/48/93/77/931489377.db2.gz ONKMGUAZXKDJNS-HUUCEWRRSA-N 1 2 296.317 1.405 20 10 CDCDLO Cc1cccc(O)c1C[N@@H+]1C[C@]2(F)CN(C)C(=O)[C@]2(F)C1 ZINC001274304013 931489379 /nfs/dbraw/zinc/48/93/79/931489379.db2.gz ONKMGUAZXKDJNS-HUUCEWRRSA-N 1 2 296.317 1.405 20 10 CDCDLO O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779213167 934479642 /nfs/dbraw/zinc/47/96/42/934479642.db2.gz DGDBAYWNGGVBHN-DTRQGZQOSA-N 1 2 299.330 1.439 20 10 CDCDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000800533687 935909823 /nfs/dbraw/zinc/90/98/23/935909823.db2.gz CTOSZGVCPLRXMF-LLVKDONJSA-N 1 2 289.784 1.665 20 10 CDCDLO COc1cc(C[NH+]2CC3(CC(O)C3)C2)cc(O)c1O ZINC001204343486 939756897 /nfs/dbraw/zinc/75/68/97/939756897.db2.gz RQIIVNTXILWMNN-UHFFFAOYSA-N 1 2 265.309 1.063 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001231849703 943028809 /nfs/dbraw/zinc/02/88/09/943028809.db2.gz WRDJJRBFTQCMHQ-ZIAGYGMSSA-N 1 2 282.359 1.666 20 10 CDCDLO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001231849703 943028816 /nfs/dbraw/zinc/02/88/16/943028816.db2.gz WRDJJRBFTQCMHQ-ZIAGYGMSSA-N 1 2 282.359 1.666 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001233331987 943546129 /nfs/dbraw/zinc/54/61/29/943546129.db2.gz SMBJMBOQJSXNKX-KWQFWETISA-N 1 2 261.243 1.575 20 10 CDCDLO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001233331987 943546134 /nfs/dbraw/zinc/54/61/34/943546134.db2.gz SMBJMBOQJSXNKX-KWQFWETISA-N 1 2 261.243 1.575 20 10 CDCDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483060 943590572 /nfs/dbraw/zinc/59/05/72/943590572.db2.gz MOFUDUZWKXAYHE-JTQLQIEISA-N 1 2 281.308 1.331 20 10 CDCDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233483060 943590575 /nfs/dbraw/zinc/59/05/75/943590575.db2.gz MOFUDUZWKXAYHE-JTQLQIEISA-N 1 2 281.308 1.331 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237122558 944661064 /nfs/dbraw/zinc/66/10/64/944661064.db2.gz VZBBMRQVCHBXSK-VIFPVBQESA-N 1 2 272.707 1.634 20 10 CDCDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237122558 944661070 /nfs/dbraw/zinc/66/10/70/944661070.db2.gz VZBBMRQVCHBXSK-VIFPVBQESA-N 1 2 272.707 1.634 20 10 CDCDLO COc1cc(C[N@H+]2CCC(=O)[C@H](F)CC2)c(O)c(OC)c1 ZINC001237670671 944918207 /nfs/dbraw/zinc/91/82/07/944918207.db2.gz VRPHISCSBSKAJH-GFCCVEGCSA-N 1 2 297.326 1.912 20 10 CDCDLO COc1cc(C[N@@H+]2CCC(=O)[C@H](F)CC2)c(O)c(OC)c1 ZINC001237670671 944918213 /nfs/dbraw/zinc/91/82/13/944918213.db2.gz VRPHISCSBSKAJH-GFCCVEGCSA-N 1 2 297.326 1.912 20 10 CDCDLO COCCN1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238059205 945045769 /nfs/dbraw/zinc/04/57/69/945045769.db2.gz AYTCOOJEMQMHMH-UHFFFAOYSA-N 1 2 282.359 1.604 20 10 CDCDLO Cn1c[nH+]cc1CC(=O)NCc1cccc(Cl)c1O ZINC001305085445 956237053 /nfs/dbraw/zinc/23/70/53/956237053.db2.gz ZGXJCQGHPAMYCB-UHFFFAOYSA-N 1 2 279.727 1.638 20 10 CDCDLO O=C([O-])C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC001329774043 961306905 /nfs/dbraw/zinc/30/69/05/961306905.db2.gz JUUQKIYTDFRNHW-UHFFFAOYSA-N 1 2 298.770 1.684 20 10 CDCDLO Oc1c(Cl)cccc1C[NH2+]Cc1nnc2n1CCOC2 ZINC001338953418 962084223 /nfs/dbraw/zinc/08/42/23/962084223.db2.gz JNARCXRMRYQYAH-UHFFFAOYSA-N 1 2 294.742 1.457 20 10 CDCDLO COc1cccc(CNC(=O)CCc2[nH+]ccn2C)c1O ZINC001348140152 965837635 /nfs/dbraw/zinc/83/76/35/965837635.db2.gz MIUBARBANBQILH-UHFFFAOYSA-N 1 2 289.335 1.383 20 10 CDCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N)cc1 ZINC001356228856 969361082 /nfs/dbraw/zinc/36/10/82/969361082.db2.gz WGSUWDOARYFRKD-SNVBAGLBSA-N 1 2 258.325 1.487 20 10 CDCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N)cc1 ZINC001356228856 969361087 /nfs/dbraw/zinc/36/10/87/969361087.db2.gz WGSUWDOARYFRKD-SNVBAGLBSA-N 1 2 258.325 1.487 20 10 CDCDLO CCCNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191186165 283371154 /nfs/dbraw/zinc/37/11/54/283371154.db2.gz DOWKDIXBSBBSAN-QMMMGPOBSA-N 1 2 272.295 1.847 20 10 CDCDLO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1O ZINC000187774657 299310763 /nfs/dbraw/zinc/31/07/63/299310763.db2.gz UVGHQCMYAOKYMC-VHSXEESVSA-N 1 2 286.322 1.652 20 10 CDCDLO CCOc1ccc(O)c(C[N@H+](CCOC)CC(=O)OC)c1 ZINC000271176618 364962510 /nfs/dbraw/zinc/96/25/10/364962510.db2.gz JMUYMCQNLDBBOH-UHFFFAOYSA-N 1 2 297.351 1.412 20 10 CDCDLO CCOc1ccc(O)c(C[N@@H+](CCOC)CC(=O)OC)c1 ZINC000271176618 364962514 /nfs/dbraw/zinc/96/25/14/364962514.db2.gz JMUYMCQNLDBBOH-UHFFFAOYSA-N 1 2 297.351 1.412 20 10 CDCDLO CC[N@H+](CC(=O)OC)Cc1cc(OC)ccc1O ZINC000271745608 364996176 /nfs/dbraw/zinc/99/61/76/364996176.db2.gz SOKLKUNYUMPVOR-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO CC[N@@H+](CC(=O)OC)Cc1cc(OC)ccc1O ZINC000271745608 364996180 /nfs/dbraw/zinc/99/61/80/364996180.db2.gz SOKLKUNYUMPVOR-UHFFFAOYSA-N 1 2 253.298 1.396 20 10 CDCDLO O=C(c1cccc(O)c1O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000365695501 391125949 /nfs/dbraw/zinc/12/59/49/391125949.db2.gz OSNXVWZTPPJPPS-JTQLQIEISA-N 1 2 273.292 1.798 20 10 CDCDLO CCOc1cccc(C[N@H+](CCOC)CC(=O)OC)c1O ZINC000271191929 391291044 /nfs/dbraw/zinc/29/10/44/391291044.db2.gz PNFMWBHFRFKYDY-UHFFFAOYSA-N 1 2 297.351 1.412 20 10 CDCDLO CCOc1cccc(C[N@@H+](CCOC)CC(=O)OC)c1O ZINC000271191929 391291048 /nfs/dbraw/zinc/29/10/48/391291048.db2.gz PNFMWBHFRFKYDY-UHFFFAOYSA-N 1 2 297.351 1.412 20 10 CDCDLO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191187766 391325371 /nfs/dbraw/zinc/32/53/71/391325371.db2.gz PWWPRRPSCDNCTF-QMMMGPOBSA-N 1 2 272.295 1.846 20 10 CDCDLO CC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590439964 1173412140 /nfs/dbraw/zinc/41/21/40/1173412140.db2.gz VCCGFEISZXWQIZ-UWVGGRQHSA-N 1 2 291.355 1.384 20 10 CDCDLO COc1ccc(O)c(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1 ZINC000271832606 295166145 /nfs/dbraw/zinc/16/61/45/295166145.db2.gz PEACBPYFQVZLNT-QQKBFRNYSA-N 1 2 283.393 1.742 20 10 CDCDLO COc1ccc(O)c(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1 ZINC000271832606 295166147 /nfs/dbraw/zinc/16/61/47/295166147.db2.gz PEACBPYFQVZLNT-QQKBFRNYSA-N 1 2 283.393 1.742 20 10 CDCDLO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ncn(C)n2)c1O ZINC000275664321 328215729 /nfs/dbraw/zinc/21/57/29/328215729.db2.gz YKIGDRGPSYOEJG-MRVPVSSYSA-N 1 2 292.314 1.713 20 10 CDCDLO Cc1cccc(N(CCC(N)=O)C(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492809033 332414294 /nfs/dbraw/zinc/41/42/94/332414294.db2.gz FGYHJFKOMWJMMU-AATRIKPKSA-N 1 2 298.346 1.640 20 10 CDCDLO CN(CCCn1cc[nH+]c1)C(=O)c1c(F)ccc(O)c1O ZINC000276558363 522805072 /nfs/dbraw/zinc/80/50/72/522805072.db2.gz LJLQJJFLTSNFMV-UHFFFAOYSA-N 1 2 293.298 1.596 20 10 CDCDLO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)CC[S@]1=O ZINC000277290291 524293646 /nfs/dbraw/zinc/29/36/46/524293646.db2.gz AGLSPWCLBBIZGQ-FVINQWEUSA-N 1 2 297.376 1.464 20 10 CDCDLO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)CC[S@]1=O ZINC000277290291 524293653 /nfs/dbraw/zinc/29/36/53/524293653.db2.gz AGLSPWCLBBIZGQ-FVINQWEUSA-N 1 2 297.376 1.464 20 10 CDCDLO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])Cn1cc[nH+]c1 ZINC000101595674 524739782 /nfs/dbraw/zinc/73/97/82/524739782.db2.gz QCZFXHKLKMKBQM-NSHDSACASA-N 1 2 290.323 1.923 20 10 CDCDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770352542 575440366 /nfs/dbraw/zinc/44/03/66/575440366.db2.gz OWVVWOCOQJAGHR-WCQYABFASA-N 1 2 282.359 1.473 20 10 CDCDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770352542 575440368 /nfs/dbraw/zinc/44/03/68/575440368.db2.gz OWVVWOCOQJAGHR-WCQYABFASA-N 1 2 282.359 1.473 20 10 CDCDLO OCC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000032049972 631494548 /nfs/dbraw/zinc/49/45/48/631494548.db2.gz DMTABTHMCJXLPO-UHFFFAOYSA-N 1 2 280.549 1.890 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001142509029 1160688986 /nfs/dbraw/zinc/68/89/86/1160688986.db2.gz URKLVHMUEPGVFN-PELKAZGASA-N 1 2 261.243 1.575 20 10 CDCDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001142509029 1160688990 /nfs/dbraw/zinc/68/89/90/1160688990.db2.gz URKLVHMUEPGVFN-PELKAZGASA-N 1 2 261.243 1.575 20 10 CDCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncn(C)n2)c1 ZINC000230670181 1161045586 /nfs/dbraw/zinc/04/55/86/1161045586.db2.gz JOEYRDLDLRGEEY-SECBINFHSA-N 1 2 262.313 1.380 20 10 CDCDLO COc1cccc(O)c1C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000792193624 1162267331 /nfs/dbraw/zinc/26/73/31/1162267331.db2.gz ZBXCKUJQPYFLQS-QWRGUYRKSA-N 1 2 283.393 1.742 20 10 CDCDLO COCC[N@H+](CC(=O)OC)Cc1ccc(C)cc1O ZINC000876735638 1165905943 /nfs/dbraw/zinc/90/59/43/1165905943.db2.gz AIAVXMDYZAOUNX-UHFFFAOYSA-N 1 2 267.325 1.322 20 10 CDCDLO COCC[N@@H+](CC(=O)OC)Cc1ccc(C)cc1O ZINC000876735638 1165905948 /nfs/dbraw/zinc/90/59/48/1165905948.db2.gz AIAVXMDYZAOUNX-UHFFFAOYSA-N 1 2 267.325 1.322 20 10 CDCDLO