smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)c1O ZINC000185925208 402389562 /nfs/dbraw/zinc/38/95/62/402389562.db2.gz UJVIOOVHBPTKEH-INIZCTEOSA-N 1 2 324.808 2.478 10 10 DECELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)c1O ZINC000185925208 402389564 /nfs/dbraw/zinc/38/95/64/402389564.db2.gz UJVIOOVHBPTKEH-INIZCTEOSA-N 1 2 324.808 2.478 10 10 DECELO Cc1nnc([C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)[nH]1 ZINC000180110249 402607830 /nfs/dbraw/zinc/60/78/30/402607830.db2.gz KHBOOXOZEVNZSI-CYBMUJFWSA-N 1 2 308.769 2.046 10 10 DECELO Cc1nnc([C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)[nH]1 ZINC000180110249 402607831 /nfs/dbraw/zinc/60/78/31/402607831.db2.gz KHBOOXOZEVNZSI-CYBMUJFWSA-N 1 2 308.769 2.046 10 10 DECELO O=C([C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]21)N1CCn2c[nH+]cc2C1 ZINC000072164119 284536319 /nfs/dbraw/zinc/53/63/19/284536319.db2.gz CXWVBRKPVPJPCT-YXJHDRRASA-N 1 2 320.396 2.379 10 10 DECELO Cc1nnc([C@H]2C[N@H+](Cc3cc(Cl)cc(C)c3O)CCO2)[nH]1 ZINC000180612869 402621319 /nfs/dbraw/zinc/62/13/19/402621319.db2.gz ZFKKDRXIUWARCX-CYBMUJFWSA-N 1 2 322.796 2.354 10 10 DECELO Cc1nnc([C@H]2C[N@@H+](Cc3cc(Cl)cc(C)c3O)CCO2)[nH]1 ZINC000180612869 402621321 /nfs/dbraw/zinc/62/13/21/402621321.db2.gz ZFKKDRXIUWARCX-CYBMUJFWSA-N 1 2 322.796 2.354 10 10 DECELO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H](C)CO ZINC000715779809 792511046 /nfs/dbraw/zinc/51/10/46/792511046.db2.gz UMXQACACBCBNSD-HTQZYQBOSA-N 1 2 306.175 2.400 10 10 DECELO CCS(=O)(=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000703466760 1086499741 /nfs/dbraw/zinc/49/97/41/1086499741.db2.gz MTWCLEBTZSHQRI-UHFFFAOYSA-N 1 2 303.811 2.103 10 10 DECELO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(Cl)c1O ZINC000179602379 295164705 /nfs/dbraw/zinc/16/47/05/295164705.db2.gz QLPBMUVDMVQVNN-OAHLLOKOSA-N 1 2 316.788 2.458 10 10 DECELO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(Cl)c1O ZINC000179602379 295164706 /nfs/dbraw/zinc/16/47/06/295164706.db2.gz QLPBMUVDMVQVNN-OAHLLOKOSA-N 1 2 316.788 2.458 10 10 DECELO CC(C)(C[NH2+]Cc1cccc(Cl)c1O)CS(C)(=O)=O ZINC000723881343 777200511 /nfs/dbraw/zinc/20/05/11/777200511.db2.gz AVNNERXQVWSIAN-UHFFFAOYSA-N 1 2 305.827 2.206 10 10 DECELO Cc1nc([C@H]2C[N@H+](Cc3cc(C)c(C)cc3O)CCO2)n[nH]1 ZINC000180109305 402607670 /nfs/dbraw/zinc/60/76/70/402607670.db2.gz SCGULRXIANCMQR-OAHLLOKOSA-N 1 2 302.378 2.009 10 10 DECELO Cc1nc([C@H]2C[N@@H+](Cc3cc(C)c(C)cc3O)CCO2)n[nH]1 ZINC000180109305 402607672 /nfs/dbraw/zinc/60/76/72/402607672.db2.gz SCGULRXIANCMQR-OAHLLOKOSA-N 1 2 302.378 2.009 10 10 DECELO CCN(CC)c1ccc(C[N@@H+]2CCCN(C)C(=O)C2)cc1F ZINC000191666735 528299293 /nfs/dbraw/zinc/29/92/93/528299293.db2.gz JLLQWKUULXHLIW-UHFFFAOYSA-N 1 2 307.413 2.336 10 10 DECELO CCN(CC)c1ccc(C[N@H+]2CCCN(C)C(=O)C2)cc1F ZINC000191666735 528299299 /nfs/dbraw/zinc/29/92/99/528299299.db2.gz JLLQWKUULXHLIW-UHFFFAOYSA-N 1 2 307.413 2.336 10 10 DECELO CCN1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715716565 792507847 /nfs/dbraw/zinc/50/78/47/792507847.db2.gz GXQDIGLWZHGMRF-LLVKDONJSA-N 1 2 317.202 2.478 10 10 DECELO CC(=O)N1CCc2cc(N3CCN(c4cccc[nH+]4)CC3)ccc21 ZINC000071702452 191009458 /nfs/dbraw/zinc/00/94/58/191009458.db2.gz WPXQSSKVOLIPAV-UHFFFAOYSA-N 1 2 322.412 2.317 10 10 DECELO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000191502460 225111699 /nfs/dbraw/zinc/11/16/99/225111699.db2.gz NWOUBTITVSZBQX-CQSZACIVSA-N 1 2 301.745 2.176 10 10 DECELO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000191502460 225111703 /nfs/dbraw/zinc/11/17/03/225111703.db2.gz NWOUBTITVSZBQX-CQSZACIVSA-N 1 2 301.745 2.176 10 10 DECELO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000125855705 402253493 /nfs/dbraw/zinc/25/34/93/402253493.db2.gz VTMQNOMCZXEFOG-DLBZAZTESA-N 1 2 320.433 2.295 10 10 DECELO CCN(CC)c1ccc(C[N@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000125855705 402253496 /nfs/dbraw/zinc/25/34/96/402253496.db2.gz VTMQNOMCZXEFOG-DLBZAZTESA-N 1 2 320.433 2.295 10 10 DECELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185774909 402376142 /nfs/dbraw/zinc/37/61/42/402376142.db2.gz JRGLYSJCCCFRRD-ZWNOBZJWSA-N 1 2 320.368 2.455 10 10 DECELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cc(F)ccc2O)C1 ZINC000190143422 523761332 /nfs/dbraw/zinc/76/13/32/523761332.db2.gz TVQOVOKPTLPVOO-OLZOCXBDSA-N 1 2 307.325 2.185 10 10 DECELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000190143422 523761365 /nfs/dbraw/zinc/76/13/65/523761365.db2.gz TVQOVOKPTLPVOO-OLZOCXBDSA-N 1 2 307.325 2.185 10 10 DECELO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177259066 625893268 /nfs/dbraw/zinc/89/32/68/625893268.db2.gz LGHYQJPOJOGZNM-AWEZNQCLSA-N 1 2 324.808 2.349 10 10 DECELO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177259066 625893274 /nfs/dbraw/zinc/89/32/74/625893274.db2.gz LGHYQJPOJOGZNM-AWEZNQCLSA-N 1 2 324.808 2.349 10 10 DECELO C[NH+](C)C1CC([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715737060 792509558 /nfs/dbraw/zinc/50/95/58/792509558.db2.gz KCOUQXPWJZRZGT-UHFFFAOYSA-N 1 2 317.202 2.476 10 10 DECELO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000245856417 533045485 /nfs/dbraw/zinc/04/54/85/533045485.db2.gz NNNDWWKTEIEYBN-OLZOCXBDSA-N 1 2 313.781 2.116 10 10 DECELO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000245856417 533045491 /nfs/dbraw/zinc/04/54/91/533045491.db2.gz NNNDWWKTEIEYBN-OLZOCXBDSA-N 1 2 313.781 2.116 10 10 DECELO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C3CC3)CC2)c1O ZINC000175676433 402824774 /nfs/dbraw/zinc/82/47/74/402824774.db2.gz YGFLBQYATPHKDP-UHFFFAOYSA-N 1 2 306.381 2.404 10 10 DECELO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C3CC3)CC2)c1O ZINC000175676433 402824777 /nfs/dbraw/zinc/82/47/77/402824777.db2.gz YGFLBQYATPHKDP-UHFFFAOYSA-N 1 2 306.381 2.404 10 10 DECELO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000191255520 225107581 /nfs/dbraw/zinc/10/75/81/225107581.db2.gz GCFMANJQOLTNDB-NSHDSACASA-N 1 2 314.788 2.091 10 10 DECELO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000191255520 225107584 /nfs/dbraw/zinc/10/75/84/225107584.db2.gz GCFMANJQOLTNDB-NSHDSACASA-N 1 2 314.788 2.091 10 10 DECELO C[C@H](CC[NH2+]Cc1cccc(Br)c1O)[S@](C)=O ZINC000129323915 684178470 /nfs/dbraw/zinc/17/84/70/684178470.db2.gz LORBURSLYNZPNL-VVVCHXIZSA-N 1 2 320.252 2.401 10 10 DECELO C[C@@H]1[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCN1C ZINC000719596392 1089317939 /nfs/dbraw/zinc/31/79/39/1089317939.db2.gz AQXYLLFGVNDLMI-PRHODGIISA-N 1 2 317.202 2.476 10 10 DECELO C[C@@H]1CC(C)(C)N2C(=O)C(=O)c3c2c1cc(O)c3C[NH+](C)C ZINC000072415020 191155618 /nfs/dbraw/zinc/15/56/18/191155618.db2.gz FRHGAWDSCIHOBC-SECBINFHSA-N 1 2 302.374 2.269 10 10 DECELO CN1CCO[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000105470912 194105818 /nfs/dbraw/zinc/10/58/18/194105818.db2.gz BSJQSCHWJZODEE-NSHDSACASA-N 1 2 305.205 2.119 10 10 DECELO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3nccs3)C1)OCO2 ZINC000152257390 402085292 /nfs/dbraw/zinc/08/52/92/402085292.db2.gz KEYDRGYGTSSUDN-CQSZACIVSA-N 1 2 320.370 2.151 10 10 DECELO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3nccs3)C1)OCO2 ZINC000152257390 402085295 /nfs/dbraw/zinc/08/52/95/402085295.db2.gz KEYDRGYGTSSUDN-CQSZACIVSA-N 1 2 320.370 2.151 10 10 DECELO Cc1cc(C(=O)C[N@H+](C)CCO)c(C)n1-c1ccc(F)cc1 ZINC000123124142 625514242 /nfs/dbraw/zinc/51/42/42/625514242.db2.gz QCRCTBBOUVXSSO-UHFFFAOYSA-N 1 2 304.365 2.340 10 10 DECELO Cc1cc(C(=O)C[N@@H+](C)CCO)c(C)n1-c1ccc(F)cc1 ZINC000123124142 625514247 /nfs/dbraw/zinc/51/42/47/625514247.db2.gz QCRCTBBOUVXSSO-UHFFFAOYSA-N 1 2 304.365 2.340 10 10 DECELO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000089164734 684019626 /nfs/dbraw/zinc/01/96/26/684019626.db2.gz NGVOGVACGLWQNK-JOYOIKCWSA-N 1 2 300.196 2.405 10 10 DECELO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000180234632 402611085 /nfs/dbraw/zinc/61/10/85/402611085.db2.gz NNNDWWKTEIEYBN-CHWSQXEVSA-N 1 2 313.781 2.116 10 10 DECELO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000180234632 402611087 /nfs/dbraw/zinc/61/10/87/402611087.db2.gz NNNDWWKTEIEYBN-CHWSQXEVSA-N 1 2 313.781 2.116 10 10 DECELO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1N1CCOCC1 ZINC000245949785 533953407 /nfs/dbraw/zinc/95/34/07/533953407.db2.gz WRWHWYVXNWEGBY-SWLSCSKDSA-N 1 2 310.825 2.198 10 10 DECELO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1N1CCOCC1 ZINC000245949785 533953413 /nfs/dbraw/zinc/95/34/13/533953413.db2.gz WRWHWYVXNWEGBY-SWLSCSKDSA-N 1 2 310.825 2.198 10 10 DECELO COc1cccc(C[N@@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1O ZINC000190151924 525957052 /nfs/dbraw/zinc/95/70/52/525957052.db2.gz KHZCVBFCGBPDFC-STQMWFEESA-N 1 2 319.361 2.054 10 10 DECELO COc1cccc(C[N@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1O ZINC000190151924 525957057 /nfs/dbraw/zinc/95/70/57/525957057.db2.gz KHZCVBFCGBPDFC-STQMWFEESA-N 1 2 319.361 2.054 10 10 DECELO COc1cccc(C[N@@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)c1O ZINC000190151959 525958699 /nfs/dbraw/zinc/95/86/99/525958699.db2.gz KHZCVBFCGBPDFC-OLZOCXBDSA-N 1 2 319.361 2.054 10 10 DECELO COc1cccc(C[N@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)c1O ZINC000190151959 525958710 /nfs/dbraw/zinc/95/87/10/525958710.db2.gz KHZCVBFCGBPDFC-OLZOCXBDSA-N 1 2 319.361 2.054 10 10 DECELO CN1CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715817765 792524537 /nfs/dbraw/zinc/52/45/37/792524537.db2.gz JILMNYFRYKBHMZ-NSHDSACASA-N 1 2 317.202 2.478 10 10 DECELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)c1O ZINC000185925229 402389808 /nfs/dbraw/zinc/38/98/08/402389808.db2.gz UJVIOOVHBPTKEH-MRXNPFEDSA-N 1 2 324.808 2.478 10 10 DECELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@]2(C)C(N)=O)c1O ZINC000185925229 402389811 /nfs/dbraw/zinc/38/98/11/402389811.db2.gz UJVIOOVHBPTKEH-MRXNPFEDSA-N 1 2 324.808 2.478 10 10 DECELO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1N1CCOCC1 ZINC000180655528 525003816 /nfs/dbraw/zinc/00/38/16/525003816.db2.gz WRWHWYVXNWEGBY-DOMZBBRYSA-N 1 2 310.825 2.198 10 10 DECELO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1N1CCOCC1 ZINC000180655528 525003825 /nfs/dbraw/zinc/00/38/25/525003825.db2.gz WRWHWYVXNWEGBY-DOMZBBRYSA-N 1 2 310.825 2.198 10 10 DECELO Cc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000007356335 401739077 /nfs/dbraw/zinc/73/90/77/401739077.db2.gz LCMUEJNYDBGIGH-UHFFFAOYSA-N 1 2 315.417 2.402 10 10 DECELO Cc1ccc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000007356335 401739078 /nfs/dbraw/zinc/73/90/78/401739078.db2.gz LCMUEJNYDBGIGH-UHFFFAOYSA-N 1 2 315.417 2.402 10 10 DECELO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)cc1 ZINC000253293865 528299309 /nfs/dbraw/zinc/29/93/09/528299309.db2.gz AZLKWXLVKDVSEU-SJORKVTESA-N 1 2 320.433 2.031 10 10 DECELO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)cc1 ZINC000253293865 528299317 /nfs/dbraw/zinc/29/93/17/528299317.db2.gz AZLKWXLVKDVSEU-SJORKVTESA-N 1 2 320.433 2.031 10 10 DECELO CN1CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715817762 792524572 /nfs/dbraw/zinc/52/45/72/792524572.db2.gz JILMNYFRYKBHMZ-LLVKDONJSA-N 1 2 317.202 2.478 10 10 DECELO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000119793548 401967152 /nfs/dbraw/zinc/96/71/52/401967152.db2.gz LPLKXBYVERSGQU-OAHLLOKOSA-N 1 2 316.788 2.458 10 10 DECELO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1O ZINC000119793548 401967153 /nfs/dbraw/zinc/96/71/53/401967153.db2.gz LPLKXBYVERSGQU-OAHLLOKOSA-N 1 2 316.788 2.458 10 10 DECELO COc1ccc(O)c(C[N@@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)c1 ZINC000190155916 524749718 /nfs/dbraw/zinc/74/97/18/524749718.db2.gz MQQMUROHASFBIB-KGLIPLIRSA-N 1 2 319.361 2.054 10 10 DECELO COc1ccc(O)c(C[N@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)c1 ZINC000190155916 524749726 /nfs/dbraw/zinc/74/97/26/524749726.db2.gz MQQMUROHASFBIB-KGLIPLIRSA-N 1 2 319.361 2.054 10 10 DECELO CCN1CC[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715790519 792511059 /nfs/dbraw/zinc/51/10/59/792511059.db2.gz BAWAWVCBMHMKGI-LLVKDONJSA-N 1 2 317.202 2.478 10 10 DECELO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1O ZINC000285378123 131162758 /nfs/dbraw/zinc/16/27/58/131162758.db2.gz RLAKYUZDVFBSPV-KRWDZBQOSA-N 1 2 323.364 2.115 10 10 DECELO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1O ZINC000285378123 131162759 /nfs/dbraw/zinc/16/27/59/131162759.db2.gz RLAKYUZDVFBSPV-KRWDZBQOSA-N 1 2 323.364 2.115 10 10 DECELO CCC[NH+](CCC)c1ccc([C@H]2NC(=O)[C@H]3COCCN32)cc1 ZINC000093885007 402020883 /nfs/dbraw/zinc/02/08/83/402020883.db2.gz KZPVHQSRTAAUIL-SJORKVTESA-N 1 2 317.433 2.142 10 10 DECELO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122222102 684113489 /nfs/dbraw/zinc/11/34/89/684113489.db2.gz GYBDREFKDLLSLE-AWEZNQCLSA-N 1 2 307.781 2.143 10 10 DECELO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122222102 684113491 /nfs/dbraw/zinc/11/34/91/684113491.db2.gz GYBDREFKDLLSLE-AWEZNQCLSA-N 1 2 307.781 2.143 10 10 DECELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000190157670 532969363 /nfs/dbraw/zinc/96/93/63/532969363.db2.gz GUCJWRSUWWOQAK-HZPDHXFCSA-N 1 2 316.405 2.406 10 10 DECELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000190157670 532969366 /nfs/dbraw/zinc/96/93/66/532969366.db2.gz GUCJWRSUWWOQAK-HZPDHXFCSA-N 1 2 316.405 2.406 10 10 DECELO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000180128771 526327760 /nfs/dbraw/zinc/32/77/60/526327760.db2.gz RDCUIXPTFCLTCA-CYBMUJFWSA-N 1 2 307.781 2.143 10 10 DECELO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000180128771 526327765 /nfs/dbraw/zinc/32/77/65/526327765.db2.gz RDCUIXPTFCLTCA-CYBMUJFWSA-N 1 2 307.781 2.143 10 10 DECELO Oc1ccccc1CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000179571548 402595433 /nfs/dbraw/zinc/59/54/33/402595433.db2.gz OZISHVWNKAVENC-LJQANCHMSA-N 1 2 312.413 2.243 10 10 DECELO Cc1nnc([C@@H]2C[N@H+](Cc3cc(Cl)cc(C)c3O)CCO2)[nH]1 ZINC000180612842 402621637 /nfs/dbraw/zinc/62/16/37/402621637.db2.gz ZFKKDRXIUWARCX-ZDUSSCGKSA-N 1 2 322.796 2.354 10 10 DECELO Cc1nnc([C@@H]2C[N@@H+](Cc3cc(Cl)cc(C)c3O)CCO2)[nH]1 ZINC000180612842 402621639 /nfs/dbraw/zinc/62/16/39/402621639.db2.gz ZFKKDRXIUWARCX-ZDUSSCGKSA-N 1 2 322.796 2.354 10 10 DECELO [NH3+][C@H](CO)c1cc(Cl)c(Cl)c(Br)c1O ZINC000072199773 295332031 /nfs/dbraw/zinc/33/20/31/295332031.db2.gz QIPXZSUYMAPRSQ-RXMQYKEDSA-N 1 2 300.967 2.454 10 10 DECELO COc1ccc(O)c(C[N@@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1 ZINC000190155939 524750399 /nfs/dbraw/zinc/75/03/99/524750399.db2.gz MQQMUROHASFBIB-ZIAGYGMSSA-N 1 2 319.361 2.054 10 10 DECELO COc1ccc(O)c(C[N@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1 ZINC000190155939 524750407 /nfs/dbraw/zinc/75/04/07/524750407.db2.gz MQQMUROHASFBIB-ZIAGYGMSSA-N 1 2 319.361 2.054 10 10 DECELO COc1ccc(O)c(CNC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000738949419 637545416 /nfs/dbraw/zinc/54/54/16/637545416.db2.gz NAFBRDNBOSZHGT-UHFFFAOYSA-N 1 2 312.329 2.370 10 10 DECELO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715779811 792511727 /nfs/dbraw/zinc/51/17/27/792511727.db2.gz UMXQACACBCBNSD-JGVFFNPUSA-N 1 2 306.175 2.400 10 10 DECELO CC(=O)c1cc(F)cc(CN2CCn3cc(C)[nH+]c3C2)c1O ZINC000374699241 332260656 /nfs/dbraw/zinc/26/06/56/332260656.db2.gz LDDCLAQKQILDPM-UHFFFAOYSA-N 1 2 303.337 2.255 10 10 DECELO c1nc([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)no1 ZINC000371382451 534534974 /nfs/dbraw/zinc/53/49/74/534534974.db2.gz IWRYACVDPTUECV-MRXNPFEDSA-N 1 2 314.389 2.243 10 10 DECELO c1nc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)no1 ZINC000371382451 534534980 /nfs/dbraw/zinc/53/49/80/534534980.db2.gz IWRYACVDPTUECV-MRXNPFEDSA-N 1 2 314.389 2.243 10 10 DECELO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000180007840 524742111 /nfs/dbraw/zinc/74/21/11/524742111.db2.gz HHADASSNRQHBCB-CQSZACIVSA-N 1 2 306.387 2.431 10 10 DECELO COc1ccc(O)c(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000180007840 524742117 /nfs/dbraw/zinc/74/21/17/524742117.db2.gz HHADASSNRQHBCB-CQSZACIVSA-N 1 2 306.387 2.431 10 10 DECELO Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)C[N+]#N)cc1 ZINC000096295105 402076591 /nfs/dbraw/zinc/07/65/91/402076591.db2.gz PGROZJJFANRAGV-UHFFFAOYSA-O 1 2 316.362 2.288 10 10 DECELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cc(F)ccc2O)C1 ZINC000190143404 524022034 /nfs/dbraw/zinc/02/20/34/524022034.db2.gz TVQOVOKPTLPVOO-QWHCGFSZSA-N 1 2 307.325 2.185 10 10 DECELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000190143404 524022036 /nfs/dbraw/zinc/02/20/36/524022036.db2.gz TVQOVOKPTLPVOO-QWHCGFSZSA-N 1 2 307.325 2.185 10 10 DECELO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000282233555 403134746 /nfs/dbraw/zinc/13/47/46/403134746.db2.gz FPUVMRRAENUHCJ-WRWORJQWSA-N 1 2 303.189 2.456 10 10 DECELO CN(C)c1ccc(CNC(=O)[C@H]2CCCn3cc[nH+]c32)cc1F ZINC000080610357 337680438 /nfs/dbraw/zinc/68/04/38/337680438.db2.gz KELNLHKDBAEWGW-ZDUSSCGKSA-N 1 2 316.380 2.282 10 10 DECELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)n1 ZINC000180117989 524533410 /nfs/dbraw/zinc/53/34/10/524533410.db2.gz DHSKCIRKGSCVBY-INIZCTEOSA-N 1 2 319.380 2.246 10 10 DECELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)n1 ZINC000180117989 524533422 /nfs/dbraw/zinc/53/34/22/524533422.db2.gz DHSKCIRKGSCVBY-INIZCTEOSA-N 1 2 319.380 2.246 10 10 DECELO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1O ZINC000285378125 131162507 /nfs/dbraw/zinc/16/25/07/131162507.db2.gz RLAKYUZDVFBSPV-QGZVFWFLSA-N 1 2 323.364 2.115 10 10 DECELO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c1O ZINC000285378125 131162508 /nfs/dbraw/zinc/16/25/08/131162508.db2.gz RLAKYUZDVFBSPV-QGZVFWFLSA-N 1 2 323.364 2.115 10 10 DECELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000177240148 402384789 /nfs/dbraw/zinc/38/47/89/402384789.db2.gz JVVAUKDUXZUURV-CQSZACIVSA-N 1 2 324.808 2.301 10 10 DECELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000177240148 402384792 /nfs/dbraw/zinc/38/47/92/402384792.db2.gz JVVAUKDUXZUURV-CQSZACIVSA-N 1 2 324.808 2.301 10 10 DECELO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000180234654 402610948 /nfs/dbraw/zinc/61/09/48/402610948.db2.gz NNNDWWKTEIEYBN-QWHCGFSZSA-N 1 2 313.781 2.116 10 10 DECELO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000180234654 402610950 /nfs/dbraw/zinc/61/09/50/402610950.db2.gz NNNDWWKTEIEYBN-QWHCGFSZSA-N 1 2 313.781 2.116 10 10 DECELO Cn1ccnc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976686 402268509 /nfs/dbraw/zinc/26/85/09/402268509.db2.gz WPXAZDJPHOZJGH-HNNXBMFYSA-N 1 2 301.390 2.307 10 10 DECELO Cn1ccnc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976686 402268513 /nfs/dbraw/zinc/26/85/13/402268513.db2.gz WPXAZDJPHOZJGH-HNNXBMFYSA-N 1 2 301.390 2.307 10 10 DECELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000190157638 524022134 /nfs/dbraw/zinc/02/21/34/524022134.db2.gz GUCJWRSUWWOQAK-JKSUJKDBSA-N 1 2 316.405 2.406 10 10 DECELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000190157638 524022135 /nfs/dbraw/zinc/02/21/35/524022135.db2.gz GUCJWRSUWWOQAK-JKSUJKDBSA-N 1 2 316.405 2.406 10 10 DECELO CCN(CC)c1ccc(C[N@@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000125855463 402253503 /nfs/dbraw/zinc/25/35/03/402253503.db2.gz VTMQNOMCZXEFOG-IAGOWNOFSA-N 1 2 320.433 2.295 10 10 DECELO CCN(CC)c1ccc(C[N@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000125855463 402253506 /nfs/dbraw/zinc/25/35/06/402253506.db2.gz VTMQNOMCZXEFOG-IAGOWNOFSA-N 1 2 320.433 2.295 10 10 DECELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000190157619 225076820 /nfs/dbraw/zinc/07/68/20/225076820.db2.gz GUCJWRSUWWOQAK-HOTGVXAUSA-N 1 2 316.405 2.406 10 10 DECELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000190157619 225076825 /nfs/dbraw/zinc/07/68/25/225076825.db2.gz GUCJWRSUWWOQAK-HOTGVXAUSA-N 1 2 316.405 2.406 10 10 DECELO Oc1ccc(F)cc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000180279601 625181377 /nfs/dbraw/zinc/18/13/77/625181377.db2.gz PBJFHAPDVFNQPQ-ZBFHGGJFSA-N 1 2 321.348 2.449 10 10 DECELO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000180279601 625181378 /nfs/dbraw/zinc/18/13/78/625181378.db2.gz PBJFHAPDVFNQPQ-ZBFHGGJFSA-N 1 2 321.348 2.449 10 10 DECELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000190157654 533544400 /nfs/dbraw/zinc/54/44/00/533544400.db2.gz GUCJWRSUWWOQAK-CVEARBPZSA-N 1 2 316.405 2.406 10 10 DECELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000190157654 533544405 /nfs/dbraw/zinc/54/44/05/533544405.db2.gz GUCJWRSUWWOQAK-CVEARBPZSA-N 1 2 316.405 2.406 10 10 DECELO Cn1nccc1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715796280 792513562 /nfs/dbraw/zinc/51/35/62/792513562.db2.gz NHEZGWURRBJJTC-UHFFFAOYSA-N 1 2 314.158 2.317 10 10 DECELO C[C@@H]1[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCN1C ZINC000719596391 1089318221 /nfs/dbraw/zinc/31/82/21/1089318221.db2.gz AQXYLLFGVNDLMI-PELKAZGASA-N 1 2 317.202 2.476 10 10 DECELO Cc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)C[N+]#N)c1 ZINC000096791761 185388546 /nfs/dbraw/zinc/38/85/46/185388546.db2.gz UCRZPRSCVFOTAV-UHFFFAOYSA-O 1 2 316.362 2.288 10 10 DECELO CN(C)c1ccc(CNC(=O)[C@@H]2CCCn3cc[nH+]c32)cc1F ZINC000080610356 401891135 /nfs/dbraw/zinc/89/11/35/401891135.db2.gz KELNLHKDBAEWGW-CYBMUJFWSA-N 1 2 316.380 2.282 10 10 DECELO CCn1cc([C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)cn1 ZINC000191695752 523466608 /nfs/dbraw/zinc/46/66/08/523466608.db2.gz WGTLNFBMEXZDND-INIZCTEOSA-N 1 2 305.353 2.321 10 10 DECELO CCn1cc([C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)cn1 ZINC000191695752 523466616 /nfs/dbraw/zinc/46/66/16/523466616.db2.gz WGTLNFBMEXZDND-INIZCTEOSA-N 1 2 305.353 2.321 10 10 DECELO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)c1O ZINC000750819679 639030472 /nfs/dbraw/zinc/03/04/72/639030472.db2.gz GHLMCUMETPRPOX-OAHLLOKOSA-N 1 2 306.381 2.402 10 10 DECELO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)c1O ZINC000750819679 639030476 /nfs/dbraw/zinc/03/04/76/639030476.db2.gz GHLMCUMETPRPOX-OAHLLOKOSA-N 1 2 306.381 2.402 10 10 DECELO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000114470233 651957149 /nfs/dbraw/zinc/95/71/49/651957149.db2.gz BGTZPJANQIRHNR-INIZCTEOSA-N 1 2 316.376 2.483 10 10 DECELO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000114470233 651957157 /nfs/dbraw/zinc/95/71/57/651957157.db2.gz BGTZPJANQIRHNR-INIZCTEOSA-N 1 2 316.376 2.483 10 10 DECELO Oc1c(F)cc(Br)cc1C[NH2+]CC1CC(O)C1 ZINC000715758065 792511542 /nfs/dbraw/zinc/51/15/42/792511542.db2.gz IADLOQLUTWSENO-UHFFFAOYSA-N 1 2 304.159 2.154 10 10 DECELO CCC[NH+](CCC)c1ccc([C@H]2NC(=O)[C@@H]3COCCN32)cc1 ZINC000093885009 283215294 /nfs/dbraw/zinc/21/52/94/283215294.db2.gz KZPVHQSRTAAUIL-IRXDYDNUSA-N 1 2 317.433 2.142 10 10 DECELO CCc1nnc([C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)[nH]1 ZINC000129083037 401798436 /nfs/dbraw/zinc/79/84/36/401798436.db2.gz SOISQZYGTJISGU-ZDUSSCGKSA-N 1 2 322.796 2.300 10 10 DECELO CCc1nnc([C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)[nH]1 ZINC000129083037 401798438 /nfs/dbraw/zinc/79/84/38/401798438.db2.gz SOISQZYGTJISGU-ZDUSSCGKSA-N 1 2 322.796 2.300 10 10 DECELO Cc1nnc([C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)[nH]1 ZINC000180110231 402607510 /nfs/dbraw/zinc/60/75/10/402607510.db2.gz KHBOOXOZEVNZSI-ZDUSSCGKSA-N 1 2 308.769 2.046 10 10 DECELO Cc1nnc([C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)[nH]1 ZINC000180110231 402607512 /nfs/dbraw/zinc/60/75/12/402607512.db2.gz KHBOOXOZEVNZSI-ZDUSSCGKSA-N 1 2 308.769 2.046 10 10 DECELO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(Cl)c1O ZINC000179602392 402595926 /nfs/dbraw/zinc/59/59/26/402595926.db2.gz QLPBMUVDMVQVNN-HNNXBMFYSA-N 1 2 316.788 2.458 10 10 DECELO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(Cl)c1O ZINC000179602392 402595929 /nfs/dbraw/zinc/59/59/29/402595929.db2.gz QLPBMUVDMVQVNN-HNNXBMFYSA-N 1 2 316.788 2.458 10 10 DECELO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724918143 777521200 /nfs/dbraw/zinc/52/12/00/777521200.db2.gz QNHVVDQXNNKRES-QDYJBQRPSA-N 1 2 316.170 2.297 10 10 DECELO COc1ccc(O)c(C[N@@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1 ZINC000190155879 524747939 /nfs/dbraw/zinc/74/79/39/524747939.db2.gz MQQMUROHASFBIB-KBPBESRZSA-N 1 2 319.361 2.054 10 10 DECELO COc1ccc(O)c(C[N@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1 ZINC000190155879 524747950 /nfs/dbraw/zinc/74/79/50/524747950.db2.gz MQQMUROHASFBIB-KBPBESRZSA-N 1 2 319.361 2.054 10 10 DECELO Cn1cc(Br)c(C[NH2+]Cc2cc(F)ccc2O)n1 ZINC000393333706 685451838 /nfs/dbraw/zinc/45/18/38/685451838.db2.gz VGQSNKYFXDCIIE-UHFFFAOYSA-N 1 2 314.158 2.317 10 10 DECELO CCc1nc([C@@H]2C[N@H+](Cc3cc(C)c(C)cc3O)CCO2)n[nH]1 ZINC000129184070 522139566 /nfs/dbraw/zinc/13/95/66/522139566.db2.gz MFWKWPLYNPYMEX-HNNXBMFYSA-N 1 2 316.405 2.263 10 10 DECELO CCc1nc([C@@H]2C[N@@H+](Cc3cc(C)c(C)cc3O)CCO2)n[nH]1 ZINC000129184070 522139575 /nfs/dbraw/zinc/13/95/75/522139575.db2.gz MFWKWPLYNPYMEX-HNNXBMFYSA-N 1 2 316.405 2.263 10 10 DECELO Oc1c(Br)cccc1C[NH2+]CC[C@@H](O)C(F)F ZINC000716764268 793007401 /nfs/dbraw/zinc/00/74/01/793007401.db2.gz JRCPKDHXVISWHV-SECBINFHSA-N 1 2 310.138 2.260 10 10 DECELO CC1=CC(C)(C)N2C(=O)C(=O)c3c2c1cc(O)c3C[NH+](C)C ZINC000072415022 191155978 /nfs/dbraw/zinc/15/59/78/191155978.db2.gz IGBWAPRJYISOSX-UHFFFAOYSA-N 1 2 300.358 2.179 10 10 DECELO CC(=O)c1cc(F)cc(C[NH+]2CCN(CC(F)F)CC2)c1O ZINC000079406260 355308134 /nfs/dbraw/zinc/30/81/34/355308134.db2.gz QZHDTOKVWDKNPO-UHFFFAOYSA-N 1 2 316.323 2.117 10 10 DECELO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000119793684 401967068 /nfs/dbraw/zinc/96/70/68/401967068.db2.gz LPLKXBYVERSGQU-HNNXBMFYSA-N 1 2 316.788 2.458 10 10 DECELO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1O ZINC000119793684 401967072 /nfs/dbraw/zinc/96/70/72/401967072.db2.gz LPLKXBYVERSGQU-HNNXBMFYSA-N 1 2 316.788 2.458 10 10 DECELO OCC1([NH2+]Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708158564 1086676683 /nfs/dbraw/zinc/67/66/83/1086676683.db2.gz RVRJOEMKEOXGMD-UHFFFAOYSA-N 1 2 306.587 2.423 10 10 DECELO O=C([C@@H]1Nc2ccccc2[C@H]2C=CC[C@@H]21)N1CCn2c[nH+]cc2C1 ZINC000072164118 296082996 /nfs/dbraw/zinc/08/29/96/296082996.db2.gz CXWVBRKPVPJPCT-UWWQBHOKSA-N 1 2 320.396 2.379 10 10 DECELO COc1cccc(C[N@@H+]2CCN(c3cccs3)C(=O)C2)c1O ZINC000185669353 402368225 /nfs/dbraw/zinc/36/82/25/402368225.db2.gz WZAKAESOMHXMQT-UHFFFAOYSA-N 1 2 318.398 2.311 10 10 DECELO COc1cccc(C[N@H+]2CCN(c3cccs3)C(=O)C2)c1O ZINC000185669353 402368229 /nfs/dbraw/zinc/36/82/29/402368229.db2.gz WZAKAESOMHXMQT-UHFFFAOYSA-N 1 2 318.398 2.311 10 10 DECELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185774889 402375680 /nfs/dbraw/zinc/37/56/80/402375680.db2.gz JRGLYSJCCCFRRD-GXFFZTMASA-N 1 2 320.368 2.455 10 10 DECELO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000089164733 684019941 /nfs/dbraw/zinc/01/99/41/684019941.db2.gz NGVOGVACGLWQNK-SKDRFNHKSA-N 1 2 300.196 2.405 10 10 DECELO CC[C@@H]([NH2+]CC(=O)OC)c1cc(Br)ccc1O ZINC000019885498 182160663 /nfs/dbraw/zinc/16/06/63/182160663.db2.gz ISMUNVLBGQEXMX-SNVBAGLBSA-N 1 2 302.168 2.368 10 10 DECELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000186396831 402427780 /nfs/dbraw/zinc/42/77/80/402427780.db2.gz QOZYAJAMKQBKQL-MRXNPFEDSA-N 1 2 309.337 2.261 10 10 DECELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000186396831 402427784 /nfs/dbraw/zinc/42/77/84/402427784.db2.gz QOZYAJAMKQBKQL-MRXNPFEDSA-N 1 2 309.337 2.261 10 10 DECELO CCn1cc([C@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)cn1 ZINC000191695768 523482070 /nfs/dbraw/zinc/48/20/70/523482070.db2.gz WGTLNFBMEXZDND-MRXNPFEDSA-N 1 2 305.353 2.321 10 10 DECELO CCn1cc([C@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)cn1 ZINC000191695768 523482080 /nfs/dbraw/zinc/48/20/80/523482080.db2.gz WGTLNFBMEXZDND-MRXNPFEDSA-N 1 2 305.353 2.321 10 10 DECELO Oc1ccc(F)cc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000180279584 648478627 /nfs/dbraw/zinc/47/86/27/648478627.db2.gz PBJFHAPDVFNQPQ-GDBMZVCRSA-N 1 2 321.348 2.449 10 10 DECELO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000180279584 648478629 /nfs/dbraw/zinc/47/86/29/648478629.db2.gz PBJFHAPDVFNQPQ-GDBMZVCRSA-N 1 2 321.348 2.449 10 10 DECELO Oc1ccc(F)cc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180279617 648478898 /nfs/dbraw/zinc/47/88/98/648478898.db2.gz PBJFHAPDVFNQPQ-GOEBONIOSA-N 1 2 321.348 2.449 10 10 DECELO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180279617 648478902 /nfs/dbraw/zinc/47/89/02/648478902.db2.gz PBJFHAPDVFNQPQ-GOEBONIOSA-N 1 2 321.348 2.449 10 10 DECELO CCn1c(C)nc2c(O)c(C[NH+]3CCCCC3)ccc2c1=O ZINC000039124457 288678024 /nfs/dbraw/zinc/67/80/24/288678024.db2.gz UTHBSWXXDUVNAA-UHFFFAOYSA-N 1 2 301.390 2.416 10 10 DECELO Cc1cc(Cl)cc(C[N@H+]2CCN(C[C@@H](C)O)[C@H](C)C2)c1O ZINC000180085029 524866362 /nfs/dbraw/zinc/86/63/62/524866362.db2.gz JSWTVXAEOCQWMH-CHWSQXEVSA-N 1 2 312.841 2.241 10 10 DECELO Cc1cc(Cl)cc(C[N@@H+]2CCN(C[C@@H](C)O)[C@H](C)C2)c1O ZINC000180085029 524866371 /nfs/dbraw/zinc/86/63/71/524866371.db2.gz JSWTVXAEOCQWMH-CHWSQXEVSA-N 1 2 312.841 2.241 10 10 DECELO OCCC1(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000157340608 646532654 /nfs/dbraw/zinc/53/26/54/646532654.db2.gz QVIORRJWUIEXCA-UHFFFAOYSA-N 1 2 300.196 2.407 10 10 DECELO O=C([C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21)N1CCn2c[nH+]cc2C1 ZINC000072164117 649303370 /nfs/dbraw/zinc/30/33/70/649303370.db2.gz CXWVBRKPVPJPCT-QILLFSRXSA-N 1 2 320.396 2.379 10 10 DECELO C[C@H](CC[NH2+]Cc1cccc(Br)c1O)[S@@](C)=O ZINC000129324352 684178521 /nfs/dbraw/zinc/17/85/21/684178521.db2.gz LORBURSLYNZPNL-XLFHBGCDSA-N 1 2 320.252 2.401 10 10 DECELO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1N1CCOCC1 ZINC000245949781 225223549 /nfs/dbraw/zinc/22/35/49/225223549.db2.gz WRWHWYVXNWEGBY-IUODEOHRSA-N 1 2 310.825 2.198 10 10 DECELO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1N1CCOCC1 ZINC000245949781 225223552 /nfs/dbraw/zinc/22/35/52/225223552.db2.gz WRWHWYVXNWEGBY-IUODEOHRSA-N 1 2 310.825 2.198 10 10 DECELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185774947 523222323 /nfs/dbraw/zinc/22/23/23/523222323.db2.gz JRGLYSJCCCFRRD-MFKMUULPSA-N 1 2 320.368 2.455 10 10 DECELO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1O ZINC000180128930 524867015 /nfs/dbraw/zinc/86/70/15/524867015.db2.gz GSIQRDBGOZIOTK-HNNXBMFYSA-N 1 2 321.808 2.452 10 10 DECELO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)c1O ZINC000180128930 524867023 /nfs/dbraw/zinc/86/70/23/524867023.db2.gz GSIQRDBGOZIOTK-HNNXBMFYSA-N 1 2 321.808 2.452 10 10 DECELO Cc1cnn(C[C@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)c1 ZINC000180129995 526265031 /nfs/dbraw/zinc/26/50/31/526265031.db2.gz CAJLPJBITFMBGC-CQSZACIVSA-N 1 2 321.808 2.452 10 10 DECELO Cc1cnn(C[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)c1 ZINC000180129995 526265032 /nfs/dbraw/zinc/26/50/32/526265032.db2.gz CAJLPJBITFMBGC-CQSZACIVSA-N 1 2 321.808 2.452 10 10 DECELO C[N@H+](Cc1cccc(Cl)c1O)CC(C)(C)S(C)(=O)=O ZINC000713908592 792248748 /nfs/dbraw/zinc/24/87/48/792248748.db2.gz BWLYWUMIDRXTIM-UHFFFAOYSA-N 1 2 305.827 2.301 10 10 DECELO C[N@@H+](Cc1cccc(Cl)c1O)CC(C)(C)S(C)(=O)=O ZINC000713908592 792248754 /nfs/dbraw/zinc/24/87/54/792248754.db2.gz BWLYWUMIDRXTIM-UHFFFAOYSA-N 1 2 305.827 2.301 10 10 DECELO COCCc1noc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)n1 ZINC000176933454 625485919 /nfs/dbraw/zinc/48/59/19/625485919.db2.gz RYHBOBZUZSOEJI-UHFFFAOYSA-N 1 2 317.389 2.085 10 10 DECELO COCCc1noc(C[N@@H+](C)Cc2cc3c(cc2O)CCC3)n1 ZINC000176933454 625485921 /nfs/dbraw/zinc/48/59/21/625485921.db2.gz RYHBOBZUZSOEJI-UHFFFAOYSA-N 1 2 317.389 2.085 10 10 DECELO CC[NH+]1CCN(C2=NC(=O)/C(=C\c3ccc(F)cc3)S2)CC1 ZINC000096466585 625760506 /nfs/dbraw/zinc/76/05/06/625760506.db2.gz IVCGYTBNXJAAAX-SDNWHVSQSA-N 1 2 319.405 2.434 10 10 DECELO CC(=O)c1cc(F)cc(C[N@@H+]2CCN3CCCC[C@@H]3C2)c1O ZINC000175687580 402825462 /nfs/dbraw/zinc/82/54/62/402825462.db2.gz IDRMKBZHVIQUQR-OAHLLOKOSA-N 1 2 306.381 2.404 10 10 DECELO CC(=O)c1cc(F)cc(C[N@H+]2CCN3CCCC[C@@H]3C2)c1O ZINC000175687580 402825465 /nfs/dbraw/zinc/82/54/65/402825465.db2.gz IDRMKBZHVIQUQR-OAHLLOKOSA-N 1 2 306.381 2.404 10 10 DECELO Cn1ncc2c1nc(NCc1ccc(N3CCCC3)cc1)[nH+]c2N ZINC000195186211 402835964 /nfs/dbraw/zinc/83/59/64/402835964.db2.gz BPLFJPXDUSWXTQ-UHFFFAOYSA-N 1 2 323.404 2.158 10 10 DECELO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000375239602 404719870 /nfs/dbraw/zinc/71/98/70/404719870.db2.gz VDJPCJKGSVMMAQ-GFCCVEGCSA-N 1 2 317.216 2.215 10 10 DECELO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000375239602 404719872 /nfs/dbraw/zinc/71/98/72/404719872.db2.gz VDJPCJKGSVMMAQ-GFCCVEGCSA-N 1 2 317.216 2.215 10 10 DECELO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000122222335 684113533 /nfs/dbraw/zinc/11/35/33/684113533.db2.gz GYBDREFKDLLSLE-CQSZACIVSA-N 1 2 307.781 2.143 10 10 DECELO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000122222335 684113535 /nfs/dbraw/zinc/11/35/35/684113535.db2.gz GYBDREFKDLLSLE-CQSZACIVSA-N 1 2 307.781 2.143 10 10 DECELO C[N@H+](Cc1c(O)cccc1Cl)CC(C)(C)S(C)(=O)=O ZINC000713908655 792247942 /nfs/dbraw/zinc/24/79/42/792247942.db2.gz UYWJDERIILUJJG-UHFFFAOYSA-N 1 2 305.827 2.301 10 10 DECELO C[N@@H+](Cc1c(O)cccc1Cl)CC(C)(C)S(C)(=O)=O ZINC000713908655 792247946 /nfs/dbraw/zinc/24/79/46/792247946.db2.gz UYWJDERIILUJJG-UHFFFAOYSA-N 1 2 305.827 2.301 10 10 DECELO CN1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715817580 792524430 /nfs/dbraw/zinc/52/44/30/792524430.db2.gz IKCKAURIOLNNDY-NSHDSACASA-N 1 2 317.202 2.478 10 10 DECELO Oc1c(F)cc(Br)cc1C[NH2+]Cc1ncc[nH]1 ZINC000715743849 1085739629 /nfs/dbraw/zinc/73/96/29/1085739629.db2.gz CDXPENOEJMWSCS-UHFFFAOYSA-N 1 2 300.131 2.307 10 10 DECELO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000133590553 401891679 /nfs/dbraw/zinc/89/16/79/401891679.db2.gz ARUQRWICXMUTMO-NSHDSACASA-N 1 2 303.189 2.409 10 10 DECELO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000133590553 401891681 /nfs/dbraw/zinc/89/16/81/401891681.db2.gz ARUQRWICXMUTMO-NSHDSACASA-N 1 2 303.189 2.409 10 10 DECELO CCC[NH+](CCC)c1ccc([C@@H]2NC(=O)[C@@H]3COCCN23)cc1 ZINC000093885008 402020898 /nfs/dbraw/zinc/02/08/98/402020898.db2.gz KZPVHQSRTAAUIL-DLBZAZTESA-N 1 2 317.433 2.142 10 10 DECELO CCNC(=O)N1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179621173 402596522 /nfs/dbraw/zinc/59/65/22/402596522.db2.gz WVZOQSMAOWDYMC-UHFFFAOYSA-N 1 2 311.813 2.201 10 10 DECELO CCN(CC)c1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000245788919 528298342 /nfs/dbraw/zinc/29/83/42/528298342.db2.gz VTMQNOMCZXEFOG-SJORKVTESA-N 1 2 320.433 2.295 10 10 DECELO CCN(CC)c1ccc(C[N@H+]2C[C@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000245788919 528298345 /nfs/dbraw/zinc/29/83/45/528298345.db2.gz VTMQNOMCZXEFOG-SJORKVTESA-N 1 2 320.433 2.295 10 10 DECELO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000245788912 528299082 /nfs/dbraw/zinc/29/90/82/528299082.db2.gz VTMQNOMCZXEFOG-IRXDYDNUSA-N 1 2 320.433 2.295 10 10 DECELO CCN(CC)c1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000245788912 528299087 /nfs/dbraw/zinc/29/90/87/528299087.db2.gz VTMQNOMCZXEFOG-IRXDYDNUSA-N 1 2 320.433 2.295 10 10 DECELO COc1cccc(CNC(=O)Nc2ccc3[nH+]ccn3c2)c1O ZINC000738951606 637545376 /nfs/dbraw/zinc/54/53/76/637545376.db2.gz ZAYCDAHEFYILLK-UHFFFAOYSA-N 1 2 312.329 2.370 10 10 DECELO CCN1CC[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715790522 792511814 /nfs/dbraw/zinc/51/18/14/792511814.db2.gz BAWAWVCBMHMKGI-NSHDSACASA-N 1 2 317.202 2.478 10 10 DECELO CN1CCO[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000105470908 194105937 /nfs/dbraw/zinc/10/59/37/194105937.db2.gz BSJQSCHWJZODEE-LLVKDONJSA-N 1 2 305.205 2.119 10 10 DECELO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000133590728 401891959 /nfs/dbraw/zinc/89/19/59/401891959.db2.gz ARUQRWICXMUTMO-LLVKDONJSA-N 1 2 303.189 2.409 10 10 DECELO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000133590728 401891962 /nfs/dbraw/zinc/89/19/62/401891962.db2.gz ARUQRWICXMUTMO-LLVKDONJSA-N 1 2 303.189 2.409 10 10 DECELO Cc1nc([C@@H]2C[N@H+](Cc3cc(C)c(C)cc3O)CCO2)n[nH]1 ZINC000180109287 402607622 /nfs/dbraw/zinc/60/76/22/402607622.db2.gz SCGULRXIANCMQR-HNNXBMFYSA-N 1 2 302.378 2.009 10 10 DECELO Cc1nc([C@@H]2C[N@@H+](Cc3cc(C)c(C)cc3O)CCO2)n[nH]1 ZINC000180109287 402607623 /nfs/dbraw/zinc/60/76/23/402607623.db2.gz SCGULRXIANCMQR-HNNXBMFYSA-N 1 2 302.378 2.009 10 10 DECELO CCc1nnc([C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CCO2)[nH]1 ZINC000129119434 522139680 /nfs/dbraw/zinc/13/96/80/522139680.db2.gz CADIPRFEGPTBGM-HNNXBMFYSA-N 1 2 315.421 2.007 10 10 DECELO CCc1nnc([C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)CCO2)[nH]1 ZINC000129119434 522139688 /nfs/dbraw/zinc/13/96/88/522139688.db2.gz CADIPRFEGPTBGM-HNNXBMFYSA-N 1 2 315.421 2.007 10 10 DECELO CCc1nc([C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CCO2)n[nH]1 ZINC000129119434 522139694 /nfs/dbraw/zinc/13/96/94/522139694.db2.gz CADIPRFEGPTBGM-HNNXBMFYSA-N 1 2 315.421 2.007 10 10 DECELO CCc1nc([C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)CCO2)n[nH]1 ZINC000129119434 522139697 /nfs/dbraw/zinc/13/96/97/522139697.db2.gz CADIPRFEGPTBGM-HNNXBMFYSA-N 1 2 315.421 2.007 10 10 DECELO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2C(=O)OC)cc1 ZINC000253293864 528298423 /nfs/dbraw/zinc/29/84/23/528298423.db2.gz AZLKWXLVKDVSEU-IRXDYDNUSA-N 1 2 320.433 2.031 10 10 DECELO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](O)[C@H]2C(=O)OC)cc1 ZINC000253293864 528298427 /nfs/dbraw/zinc/29/84/27/528298427.db2.gz AZLKWXLVKDVSEU-IRXDYDNUSA-N 1 2 320.433 2.031 10 10 DECELO Oc1cccc(Br)c1C[NH2+]Cc1csnn1 ZINC000706883633 1082292144 /nfs/dbraw/zinc/29/21/44/1082292144.db2.gz SAOYYLHUGXGYNC-UHFFFAOYSA-N 1 2 300.181 2.296 10 10 DECELO COc1cccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1O ZINC000092831740 185344596 /nfs/dbraw/zinc/34/45/96/185344596.db2.gz UFYOERQITHGVHK-ZDUSSCGKSA-N 1 2 306.387 2.431 10 10 DECELO COc1cccc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1O ZINC000092831740 185344597 /nfs/dbraw/zinc/34/45/97/185344597.db2.gz UFYOERQITHGVHK-ZDUSSCGKSA-N 1 2 306.387 2.431 10 10 DECELO [NH3+][C@@H](CO)c1cc(Cl)c(Cl)c(Br)c1O ZINC000072199774 295295276 /nfs/dbraw/zinc/29/52/76/295295276.db2.gz QIPXZSUYMAPRSQ-YFKPBYRVSA-N 1 2 300.967 2.454 10 10 DECELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cc(F)ccc2O)C1 ZINC000190143437 523776810 /nfs/dbraw/zinc/77/68/10/523776810.db2.gz TVQOVOKPTLPVOO-CHWSQXEVSA-N 1 2 307.325 2.185 10 10 DECELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000190143437 523776814 /nfs/dbraw/zinc/77/68/14/523776814.db2.gz TVQOVOKPTLPVOO-CHWSQXEVSA-N 1 2 307.325 2.185 10 10 DECELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)n1 ZINC000180118005 524535487 /nfs/dbraw/zinc/53/54/87/524535487.db2.gz DHSKCIRKGSCVBY-MRXNPFEDSA-N 1 2 319.380 2.246 10 10 DECELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)n1 ZINC000180118005 524535494 /nfs/dbraw/zinc/53/54/94/524535494.db2.gz DHSKCIRKGSCVBY-MRXNPFEDSA-N 1 2 319.380 2.246 10 10 DECELO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCN(C3CC3)C2)c1O ZINC000750819676 639031102 /nfs/dbraw/zinc/03/11/02/639031102.db2.gz GHLMCUMETPRPOX-HNNXBMFYSA-N 1 2 306.381 2.402 10 10 DECELO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCN(C3CC3)C2)c1O ZINC000750819676 639031107 /nfs/dbraw/zinc/03/11/07/639031107.db2.gz GHLMCUMETPRPOX-HNNXBMFYSA-N 1 2 306.381 2.402 10 10 DECELO Oc1c(Br)cccc1C[NH2+]CC[C@H](O)C(F)F ZINC000716764270 793006758 /nfs/dbraw/zinc/00/67/58/793006758.db2.gz JRCPKDHXVISWHV-VIFPVBQESA-N 1 2 310.138 2.260 10 10 DECELO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000282233551 403134777 /nfs/dbraw/zinc/13/47/77/403134777.db2.gz FPUVMRRAENUHCJ-RDDDGLTNSA-N 1 2 303.189 2.456 10 10 DECELO CCc1nc([C@H]2C[N@H+](Cc3cc(C)c(C)cc3O)CCO2)n[nH]1 ZINC000129184318 522140388 /nfs/dbraw/zinc/14/03/88/522140388.db2.gz MFWKWPLYNPYMEX-OAHLLOKOSA-N 1 2 316.405 2.263 10 10 DECELO CCc1nc([C@H]2C[N@@H+](Cc3cc(C)c(C)cc3O)CCO2)n[nH]1 ZINC000129184318 522140396 /nfs/dbraw/zinc/14/03/96/522140396.db2.gz MFWKWPLYNPYMEX-OAHLLOKOSA-N 1 2 316.405 2.263 10 10 DECELO COc1cccc(C[N@@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190151975 525957784 /nfs/dbraw/zinc/95/77/84/525957784.db2.gz KHZCVBFCGBPDFC-CHWSQXEVSA-N 1 2 319.361 2.054 10 10 DECELO COc1cccc(C[N@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190151975 525957798 /nfs/dbraw/zinc/95/77/98/525957798.db2.gz KHZCVBFCGBPDFC-CHWSQXEVSA-N 1 2 319.361 2.054 10 10 DECELO CC[C@H]([NH2+]CC(=O)OC)c1cc(Br)ccc1O ZINC000019885500 182161021 /nfs/dbraw/zinc/16/10/21/182161021.db2.gz ISMUNVLBGQEXMX-JTQLQIEISA-N 1 2 302.168 2.368 10 10 DECELO CCc1nnc([C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)[nH]1 ZINC000129083272 401798125 /nfs/dbraw/zinc/79/81/25/401798125.db2.gz SOISQZYGTJISGU-CYBMUJFWSA-N 1 2 322.796 2.300 10 10 DECELO CCc1nnc([C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)[nH]1 ZINC000129083272 401798128 /nfs/dbraw/zinc/79/81/28/401798128.db2.gz SOISQZYGTJISGU-CYBMUJFWSA-N 1 2 322.796 2.300 10 10 DECELO Oc1ccc(F)cc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000180279631 648478654 /nfs/dbraw/zinc/47/86/54/648478654.db2.gz PBJFHAPDVFNQPQ-HOCLYGCPSA-N 1 2 321.348 2.449 10 10 DECELO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000180279631 648478655 /nfs/dbraw/zinc/47/86/55/648478655.db2.gz PBJFHAPDVFNQPQ-HOCLYGCPSA-N 1 2 321.348 2.449 10 10 DECELO Oc1ccccc1C[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000185760091 649605119 /nfs/dbraw/zinc/60/51/19/649605119.db2.gz PYMUGFSNGXIYPT-UHFFFAOYSA-N 1 2 310.357 2.379 10 10 DECELO CCS(=O)(=O)CC[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000180422748 521639609 /nfs/dbraw/zinc/63/96/09/521639609.db2.gz CYWGTWMQBOZSSY-UHFFFAOYSA-N 1 2 305.827 2.221 10 10 DECELO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000180422748 521639618 /nfs/dbraw/zinc/63/96/18/521639618.db2.gz CYWGTWMQBOZSSY-UHFFFAOYSA-N 1 2 305.827 2.221 10 10 DECELO CCc1nnc([C@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CCO2)[nH]1 ZINC000129119629 522140836 /nfs/dbraw/zinc/14/08/36/522140836.db2.gz CADIPRFEGPTBGM-OAHLLOKOSA-N 1 2 315.421 2.007 10 10 DECELO CCc1nnc([C@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)CCO2)[nH]1 ZINC000129119629 522140846 /nfs/dbraw/zinc/14/08/46/522140846.db2.gz CADIPRFEGPTBGM-OAHLLOKOSA-N 1 2 315.421 2.007 10 10 DECELO CCc1nc([C@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CCO2)n[nH]1 ZINC000129119629 522140857 /nfs/dbraw/zinc/14/08/57/522140857.db2.gz CADIPRFEGPTBGM-OAHLLOKOSA-N 1 2 315.421 2.007 10 10 DECELO CCc1nc([C@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)CCO2)n[nH]1 ZINC000129119629 522140863 /nfs/dbraw/zinc/14/08/63/522140863.db2.gz CADIPRFEGPTBGM-OAHLLOKOSA-N 1 2 315.421 2.007 10 10 DECELO COc1ccc(O)c(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1 ZINC000190155899 524747066 /nfs/dbraw/zinc/74/70/66/524747066.db2.gz MQQMUROHASFBIB-UONOGXRCSA-N 1 2 319.361 2.054 10 10 DECELO COc1ccc(O)c(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1 ZINC000190155899 524747076 /nfs/dbraw/zinc/74/70/76/524747076.db2.gz MQQMUROHASFBIB-UONOGXRCSA-N 1 2 319.361 2.054 10 10 DECELO CC(=O)c1cc(F)cc(C[N@@H+]2CCN3CCCC[C@H]3C2)c1O ZINC000246488488 527210585 /nfs/dbraw/zinc/21/05/85/527210585.db2.gz IDRMKBZHVIQUQR-HNNXBMFYSA-N 1 2 306.381 2.404 10 10 DECELO CC(=O)c1cc(F)cc(C[N@H+]2CCN3CCCC[C@H]3C2)c1O ZINC000246488488 527210586 /nfs/dbraw/zinc/21/05/86/527210586.db2.gz IDRMKBZHVIQUQR-HNNXBMFYSA-N 1 2 306.381 2.404 10 10 DECELO C[C@@H](CC[NH2+]Cc1cccc(Br)c1O)[S@](C)=O ZINC000129323676 684178629 /nfs/dbraw/zinc/17/86/29/684178629.db2.gz LORBURSLYNZPNL-HUTHGQBESA-N 1 2 320.252 2.401 10 10 DECELO c1n[nH]c2c1[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000375789019 337019717 /nfs/dbraw/zinc/01/97/17/337019717.db2.gz KCBZTOULLGVGQG-QGZVFWFLSA-N 1 2 312.417 2.414 10 10 DECELO Cc1cnn(C[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)c1 ZINC000180129979 526264753 /nfs/dbraw/zinc/26/47/53/526264753.db2.gz CAJLPJBITFMBGC-AWEZNQCLSA-N 1 2 321.808 2.452 10 10 DECELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)c1 ZINC000180129979 526264754 /nfs/dbraw/zinc/26/47/54/526264754.db2.gz CAJLPJBITFMBGC-AWEZNQCLSA-N 1 2 321.808 2.452 10 10 DECELO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000180128752 526327482 /nfs/dbraw/zinc/32/74/82/526327482.db2.gz RDCUIXPTFCLTCA-ZDUSSCGKSA-N 1 2 307.781 2.143 10 10 DECELO Oc1c(Cl)cccc1C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000180128752 526327484 /nfs/dbraw/zinc/32/74/84/526327484.db2.gz RDCUIXPTFCLTCA-ZDUSSCGKSA-N 1 2 307.781 2.143 10 10 DECELO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000079443675 277106051 /nfs/dbraw/zinc/10/60/51/277106051.db2.gz RRRKYABQIHNHFF-ZDUSSCGKSA-N 1 2 321.270 2.233 10 10 DECELO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000079443675 277106053 /nfs/dbraw/zinc/10/60/53/277106053.db2.gz RRRKYABQIHNHFF-ZDUSSCGKSA-N 1 2 321.270 2.233 10 10 DECELO c1nc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)no1 ZINC000371382450 534533833 /nfs/dbraw/zinc/53/38/33/534533833.db2.gz IWRYACVDPTUECV-INIZCTEOSA-N 1 2 314.389 2.243 10 10 DECELO c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)no1 ZINC000371382450 534533841 /nfs/dbraw/zinc/53/38/41/534533841.db2.gz IWRYACVDPTUECV-INIZCTEOSA-N 1 2 314.389 2.243 10 10 DECELO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000079443672 185172122 /nfs/dbraw/zinc/17/21/22/185172122.db2.gz RRRKYABQIHNHFF-CYBMUJFWSA-N 1 2 321.270 2.233 10 10 DECELO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000079443672 185172123 /nfs/dbraw/zinc/17/21/23/185172123.db2.gz RRRKYABQIHNHFF-CYBMUJFWSA-N 1 2 321.270 2.233 10 10 DECELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cc(F)ccc2O)C1 ZINC000190143388 524014794 /nfs/dbraw/zinc/01/47/94/524014794.db2.gz TVQOVOKPTLPVOO-STQMWFEESA-N 1 2 307.325 2.185 10 10 DECELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000190143388 524014796 /nfs/dbraw/zinc/01/47/96/524014796.db2.gz TVQOVOKPTLPVOO-STQMWFEESA-N 1 2 307.325 2.185 10 10 DECELO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177259082 625893928 /nfs/dbraw/zinc/89/39/28/625893928.db2.gz LGHYQJPOJOGZNM-CQSZACIVSA-N 1 2 324.808 2.349 10 10 DECELO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177259082 625893931 /nfs/dbraw/zinc/89/39/31/625893931.db2.gz LGHYQJPOJOGZNM-CQSZACIVSA-N 1 2 324.808 2.349 10 10 DECELO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724918142 777521381 /nfs/dbraw/zinc/52/13/81/777521381.db2.gz QNHVVDQXNNKRES-DMLGSKKGSA-N 1 2 316.170 2.297 10 10 DECELO COc1cccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1O ZINC000092831741 185344590 /nfs/dbraw/zinc/34/45/90/185344590.db2.gz UFYOERQITHGVHK-CYBMUJFWSA-N 1 2 306.387 2.431 10 10 DECELO COc1cccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1O ZINC000092831741 185344591 /nfs/dbraw/zinc/34/45/91/185344591.db2.gz UFYOERQITHGVHK-CYBMUJFWSA-N 1 2 306.387 2.431 10 10 DECELO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3nccs3)C1)OCO2 ZINC000152257310 402085038 /nfs/dbraw/zinc/08/50/38/402085038.db2.gz KEYDRGYGTSSUDN-AWEZNQCLSA-N 1 2 320.370 2.151 10 10 DECELO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3nccs3)C1)OCO2 ZINC000152257310 402085040 /nfs/dbraw/zinc/08/50/40/402085040.db2.gz KEYDRGYGTSSUDN-AWEZNQCLSA-N 1 2 320.370 2.151 10 10 DECELO COc1ccc(O)c(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000180007825 524740480 /nfs/dbraw/zinc/74/04/80/524740480.db2.gz HHADASSNRQHBCB-AWEZNQCLSA-N 1 2 306.387 2.431 10 10 DECELO COc1ccc(O)c(C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000180007825 524740489 /nfs/dbraw/zinc/74/04/89/524740489.db2.gz HHADASSNRQHBCB-AWEZNQCLSA-N 1 2 306.387 2.431 10 10 DECELO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1O ZINC000180128952 524863702 /nfs/dbraw/zinc/86/37/02/524863702.db2.gz GSIQRDBGOZIOTK-OAHLLOKOSA-N 1 2 321.808 2.452 10 10 DECELO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1O ZINC000180128952 524863709 /nfs/dbraw/zinc/86/37/09/524863709.db2.gz GSIQRDBGOZIOTK-OAHLLOKOSA-N 1 2 321.808 2.452 10 10 DECELO CC(NCCc1c[nH]c[nH+]1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000095483247 625680281 /nfs/dbraw/zinc/68/02/81/625680281.db2.gz FOPTVWPUQDBLMV-FOWTUZBSSA-N 1 2 309.373 2.239 10 10 DECELO C[C@H]1CC(C)(C)N2C(=O)C(=O)c3c2c1cc(O)c3C[NH+](C)C ZINC000072415021 191155731 /nfs/dbraw/zinc/15/57/31/191155731.db2.gz FRHGAWDSCIHOBC-VIFPVBQESA-N 1 2 302.374 2.269 10 10 DECELO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)CC2 ZINC000187777105 402511436 /nfs/dbraw/zinc/51/14/36/402511436.db2.gz AEFYQQHYRVOUNY-NXEZZACHSA-N 1 2 322.359 2.490 10 10 DECELO Cn1cnc(CC[NH2+]Cc2cccc(Br)c2O)c1 ZINC000313303340 633509612 /nfs/dbraw/zinc/50/96/12/633509612.db2.gz QDESABDWOVGNTH-UHFFFAOYSA-N 1 2 310.195 2.221 10 10 DECELO C[N@@H+]1CCCc2cc(N3CCN(c4ncccn4)CC3)ccc21 ZINC000071702479 191010182 /nfs/dbraw/zinc/01/01/82/191010182.db2.gz HDBHANHDFFWTFH-UHFFFAOYSA-N 1 2 309.417 2.186 10 10 DECELO C[N@H+]1CCCc2cc(N3CCN(c4ncccn4)CC3)ccc21 ZINC000071702479 191010184 /nfs/dbraw/zinc/01/01/84/191010184.db2.gz HDBHANHDFFWTFH-UHFFFAOYSA-N 1 2 309.417 2.186 10 10 DECELO O=C([C@@H]1Nc2ccccc2[C@H]2C=CC[C@H]21)N1CCn2c[nH+]cc2C1 ZINC000072164120 296082830 /nfs/dbraw/zinc/08/28/30/296082830.db2.gz CXWVBRKPVPJPCT-QGPMSJSTSA-N 1 2 320.396 2.379 10 10 DECELO c1n[nH]c2c1[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000375789007 337019593 /nfs/dbraw/zinc/01/95/93/337019593.db2.gz KCBZTOULLGVGQG-KRWDZBQOSA-N 1 2 312.417 2.414 10 10 DECELO Cc1cnn(C[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000122412736 684115349 /nfs/dbraw/zinc/11/53/49/684115349.db2.gz JYDCCHLFWQAZDD-OAHLLOKOSA-N 1 2 321.808 2.452 10 10 DECELO Cc1cnn(C[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000122412736 684115353 /nfs/dbraw/zinc/11/53/53/684115353.db2.gz JYDCCHLFWQAZDD-OAHLLOKOSA-N 1 2 321.808 2.452 10 10 DECELO Oc1c(Br)cccc1CN1CC[NH+](C2CC2)CC1 ZINC000127925243 684166931 /nfs/dbraw/zinc/16/69/31/684166931.db2.gz KLKQMUBJEIZIAT-UHFFFAOYSA-N 1 2 311.223 2.435 10 10 DECELO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000191502475 225111400 /nfs/dbraw/zinc/11/14/00/225111400.db2.gz NWOUBTITVSZBQX-AWEZNQCLSA-N 1 2 301.745 2.176 10 10 DECELO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000191502475 225111402 /nfs/dbraw/zinc/11/14/02/225111402.db2.gz NWOUBTITVSZBQX-AWEZNQCLSA-N 1 2 301.745 2.176 10 10 DECELO COc1cccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190151943 525958570 /nfs/dbraw/zinc/95/85/70/525958570.db2.gz KHZCVBFCGBPDFC-QWHCGFSZSA-N 1 2 319.361 2.054 10 10 DECELO COc1cccc(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190151943 525958579 /nfs/dbraw/zinc/95/85/79/525958579.db2.gz KHZCVBFCGBPDFC-QWHCGFSZSA-N 1 2 319.361 2.054 10 10 DECELO Cc1cnn(C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000122412513 684115174 /nfs/dbraw/zinc/11/51/74/684115174.db2.gz JYDCCHLFWQAZDD-HNNXBMFYSA-N 1 2 321.808 2.452 10 10 DECELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000122412513 684115176 /nfs/dbraw/zinc/11/51/76/684115176.db2.gz JYDCCHLFWQAZDD-HNNXBMFYSA-N 1 2 321.808 2.452 10 10 DECELO C[C@H]1[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCN1C ZINC000719596394 1089317125 /nfs/dbraw/zinc/31/71/25/1089317125.db2.gz AQXYLLFGVNDLMI-UFBFGSQYSA-N 1 2 317.202 2.476 10 10 DECELO C[C@H]1[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCN1C ZINC000719596393 1089318137 /nfs/dbraw/zinc/31/81/37/1089318137.db2.gz AQXYLLFGVNDLMI-QPUJVOFHSA-N 1 2 317.202 2.476 10 10 DECELO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000282233546 403135000 /nfs/dbraw/zinc/13/50/00/403135000.db2.gz FPUVMRRAENUHCJ-HQJQHLMTSA-N 1 2 303.189 2.456 10 10 DECELO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1N1CCOCC1 ZINC000180655548 300270860 /nfs/dbraw/zinc/27/08/60/300270860.db2.gz WRWHWYVXNWEGBY-WFASDCNBSA-N 1 2 310.825 2.198 10 10 DECELO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1N1CCOCC1 ZINC000180655548 300270863 /nfs/dbraw/zinc/27/08/63/300270863.db2.gz WRWHWYVXNWEGBY-WFASDCNBSA-N 1 2 310.825 2.198 10 10 DECELO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715780063 792511984 /nfs/dbraw/zinc/51/19/84/792511984.db2.gz UMXQACACBCBNSD-YUMQZZPRSA-N 1 2 306.175 2.400 10 10 DECELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185774926 402375957 /nfs/dbraw/zinc/37/59/57/402375957.db2.gz JRGLYSJCCCFRRD-GWCFXTLKSA-N 1 2 320.368 2.455 10 10 DECELO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)CC2 ZINC000187777088 402511314 /nfs/dbraw/zinc/51/13/14/402511314.db2.gz AEFYQQHYRVOUNY-UWVGGRQHSA-N 1 2 322.359 2.490 10 10 DECELO CCC(C)(C)NC(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000007354827 651885503 /nfs/dbraw/zinc/88/55/03/651885503.db2.gz AMFLHWVLXWKKBB-UHFFFAOYSA-N 1 2 319.449 2.122 10 10 DECELO OCC1CC([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715719782 792508601 /nfs/dbraw/zinc/50/86/01/792508601.db2.gz UXQVAYUOJKJJSI-UHFFFAOYSA-N 1 2 304.159 2.154 10 10 DECELO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)CC2 ZINC000187777074 402511326 /nfs/dbraw/zinc/51/13/26/402511326.db2.gz AEFYQQHYRVOUNY-VHSXEESVSA-N 1 2 322.359 2.490 10 10 DECELO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)CC2 ZINC000187777123 402511409 /nfs/dbraw/zinc/51/14/09/402511409.db2.gz AEFYQQHYRVOUNY-ZJUUUORDSA-N 1 2 322.359 2.490 10 10 DECELO Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)n[nH]1 ZINC000189019766 225041310 /nfs/dbraw/zinc/04/13/10/225041310.db2.gz ZNCZRDVHRZNOKC-UHFFFAOYSA-N 1 2 306.797 2.399 10 10 DECELO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000191255544 225107040 /nfs/dbraw/zinc/10/70/40/225107040.db2.gz GCFMANJQOLTNDB-LLVKDONJSA-N 1 2 314.788 2.091 10 10 DECELO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000191255544 225107043 /nfs/dbraw/zinc/10/70/43/225107043.db2.gz GCFMANJQOLTNDB-LLVKDONJSA-N 1 2 314.788 2.091 10 10 DECELO NC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000284706833 303312660 /nfs/dbraw/zinc/31/26/60/303312660.db2.gz RDTZROBNHKKCQV-ZBFHGGJFSA-N 1 2 305.397 2.075 10 10 DECELO NC(=O)[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000284706833 303312662 /nfs/dbraw/zinc/31/26/62/303312662.db2.gz RDTZROBNHKKCQV-ZBFHGGJFSA-N 1 2 305.397 2.075 10 10 DECELO CCN1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715716567 792507656 /nfs/dbraw/zinc/50/76/56/792507656.db2.gz GXQDIGLWZHGMRF-NSHDSACASA-N 1 2 317.202 2.478 10 10 DECELO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000245856426 533069319 /nfs/dbraw/zinc/06/93/19/533069319.db2.gz NNNDWWKTEIEYBN-STQMWFEESA-N 1 2 313.781 2.116 10 10 DECELO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000245856426 533069322 /nfs/dbraw/zinc/06/93/22/533069322.db2.gz NNNDWWKTEIEYBN-STQMWFEESA-N 1 2 313.781 2.116 10 10 DECELO CCC[NH+](CCC)c1ccc([C@@H]2NC(=O)[C@H]3COCCN32)cc1 ZINC000093885006 402021429 /nfs/dbraw/zinc/02/14/29/402021429.db2.gz KZPVHQSRTAAUIL-IAGOWNOFSA-N 1 2 317.433 2.142 10 10 DECELO Oc1ccccc1CN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000179571563 402595448 /nfs/dbraw/zinc/59/54/48/402595448.db2.gz OZISHVWNKAVENC-IBGZPJMESA-N 1 2 312.413 2.243 10 10 DECELO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000282233542 403135065 /nfs/dbraw/zinc/13/50/65/403135065.db2.gz FPUVMRRAENUHCJ-CPCISQLKSA-N 1 2 303.189 2.456 10 10 DECELO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715779814 792510866 /nfs/dbraw/zinc/51/08/66/792510866.db2.gz UMXQACACBCBNSD-SFYZADRCSA-N 1 2 306.175 2.400 10 10 DECELO Cn1ccnc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976688 402268703 /nfs/dbraw/zinc/26/87/03/402268703.db2.gz WPXAZDJPHOZJGH-OAHLLOKOSA-N 1 2 301.390 2.307 10 10 DECELO Cn1ccnc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976688 402268704 /nfs/dbraw/zinc/26/87/04/402268704.db2.gz WPXAZDJPHOZJGH-OAHLLOKOSA-N 1 2 301.390 2.307 10 10 DECELO COc1ccc(O)c(C[N@@H+]2CCN(c3cccs3)C(=O)C2)c1 ZINC000185670823 402368639 /nfs/dbraw/zinc/36/86/39/402368639.db2.gz JKEQSBGDYYGNAC-UHFFFAOYSA-N 1 2 318.398 2.311 10 10 DECELO COc1ccc(O)c(C[N@H+]2CCN(c3cccs3)C(=O)C2)c1 ZINC000185670823 402368641 /nfs/dbraw/zinc/36/86/41/402368641.db2.gz JKEQSBGDYYGNAC-UHFFFAOYSA-N 1 2 318.398 2.311 10 10 DECELO Cc1cc(Cl)cc(C[N@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000180576885 524860947 /nfs/dbraw/zinc/86/09/47/524860947.db2.gz XHLRSYMZWUPCCE-UHFFFAOYSA-N 1 2 317.838 2.363 10 10 DECELO Cc1cc(Cl)cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000180576885 524860957 /nfs/dbraw/zinc/86/09/57/524860957.db2.gz XHLRSYMZWUPCCE-UHFFFAOYSA-N 1 2 317.838 2.363 10 10 DECELO C[C@@H](CC[NH2+]Cc1cccc(Br)c1O)[S@@](C)=O ZINC000129324114 684178457 /nfs/dbraw/zinc/17/84/57/684178457.db2.gz LORBURSLYNZPNL-XYZCENFISA-N 1 2 320.252 2.401 10 10 DECELO