smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C[C@H]1CCC[C@H]1O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000095974457 529969243 /nfs/dbraw/zinc/96/92/43/529969243.db2.gz BWORUMJVKXPAON-GHMZBOCLSA-N 1 2 334.342 1.748 50 0 EDAALO Cc1cc(CN2CCN(C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)on1 ZINC000047028731 213826652 /nfs/dbraw/zinc/82/66/52/213826652.db2.gz XNYVNARFMFIMHG-CQSZACIVSA-N 1 2 332.408 1.095 50 0 EDAALO O=C(NC/C=C/c1ccccc1)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000685943999 539583845 /nfs/dbraw/zinc/58/38/45/539583845.db2.gz UMOPTRWNCVSRSC-SZTZYQKNSA-N 1 2 327.384 1.684 50 0 EDAALO O=C(NC/C=C/c1ccccc1)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000685943999 539583847 /nfs/dbraw/zinc/58/38/47/539583847.db2.gz UMOPTRWNCVSRSC-SZTZYQKNSA-N 1 2 327.384 1.684 50 0 EDAALO O=C(C[N@@H+]1CCc2onc(-c3cccc(F)c3)c2C1)N1CCOCC1 ZINC000067490899 215154120 /nfs/dbraw/zinc/15/41/20/215154120.db2.gz RVGMJBPLEWBCMV-UHFFFAOYSA-N 1 2 345.374 1.698 50 0 EDAALO O=C(C[N@H+]1CCc2onc(-c3cccc(F)c3)c2C1)N1CCOCC1 ZINC000067490899 215154123 /nfs/dbraw/zinc/15/41/23/215154123.db2.gz RVGMJBPLEWBCMV-UHFFFAOYSA-N 1 2 345.374 1.698 50 0 EDAALO Clc1nc(NCC[NH+]2CCOCC2)nc(NCc2ccccc2)n1 ZINC000019818663 202022943 /nfs/dbraw/zinc/02/29/43/202022943.db2.gz ALLNCBRRCOFRHF-UHFFFAOYSA-N 1 2 348.838 1.881 50 0 EDAALO O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177768732 540106431 /nfs/dbraw/zinc/10/64/31/540106431.db2.gz UAJKCPBAVZGFRW-INIZCTEOSA-N 1 2 336.399 1.828 50 0 EDAALO CC[C@H](C)[N@@H+]1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(OC)cc2)C1 ZINC000020567595 202048856 /nfs/dbraw/zinc/04/88/56/202048856.db2.gz URZRUZZKRXJVLJ-NSHDSACASA-N 1 2 330.388 1.518 50 0 EDAALO CC[C@H](C)[N@H+]1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(OC)cc2)C1 ZINC000020567595 202048857 /nfs/dbraw/zinc/04/88/57/202048857.db2.gz URZRUZZKRXJVLJ-NSHDSACASA-N 1 2 330.388 1.518 50 0 EDAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(-n2cnnn2)cc1 ZINC000024382106 202116250 /nfs/dbraw/zinc/11/62/50/202116250.db2.gz VJSXJLUTAZZJQA-UHFFFAOYSA-N 1 2 347.382 1.750 50 0 EDAALO C[C@@H]1C[NH+](CC(=O)NCc2cccc(NC(=O)C3CC3)c2)C[C@@H](C)O1 ZINC000025412251 202131103 /nfs/dbraw/zinc/13/11/03/202131103.db2.gz IQOHRFIWCZWZNT-ZIAGYGMSSA-N 1 2 345.443 1.761 50 0 EDAALO Cc1cc(C(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)no1 ZINC000038590542 202140275 /nfs/dbraw/zinc/14/02/75/202140275.db2.gz CVGCGBABXGZKTN-UHFFFAOYSA-N 1 2 332.379 1.674 50 0 EDAALO CCOC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000026781741 202147571 /nfs/dbraw/zinc/14/75/71/202147571.db2.gz CUYAOFDEQMYSQQ-ZDUSSCGKSA-N 1 2 326.368 1.340 50 0 EDAALO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ncc(Cl)n1C ZINC000028727695 202177141 /nfs/dbraw/zinc/17/71/41/202177141.db2.gz ZKOQHSSYMHNPRD-SNVBAGLBSA-N 1 2 342.852 1.914 50 0 EDAALO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000028727695 202177143 /nfs/dbraw/zinc/17/71/43/202177143.db2.gz ZKOQHSSYMHNPRD-SNVBAGLBSA-N 1 2 342.852 1.914 50 0 EDAALO O=C(C[N@@H+]1CCO[C@H](Cn2cccn2)C1)N1CCCc2ccccc21 ZINC000069375425 202275108 /nfs/dbraw/zinc/27/51/08/202275108.db2.gz PKGLTSIWRSTCKD-KRWDZBQOSA-N 1 2 340.427 1.563 50 0 EDAALO O=C(C[N@H+]1CCO[C@H](Cn2cccn2)C1)N1CCCc2ccccc21 ZINC000069375425 202275111 /nfs/dbraw/zinc/27/51/11/202275111.db2.gz PKGLTSIWRSTCKD-KRWDZBQOSA-N 1 2 340.427 1.563 50 0 EDAALO O=C(C[N@@H+]1CCO[C@H](Cn2cccn2)C1)N1CCc2ccccc2C1 ZINC000069451548 202282135 /nfs/dbraw/zinc/28/21/35/202282135.db2.gz ZSOVTELGQLAZEX-SFHVURJKSA-N 1 2 340.427 1.169 50 0 EDAALO O=C(C[N@H+]1CCO[C@H](Cn2cccn2)C1)N1CCc2ccccc2C1 ZINC000069451548 202282138 /nfs/dbraw/zinc/28/21/38/202282138.db2.gz ZSOVTELGQLAZEX-SFHVURJKSA-N 1 2 340.427 1.169 50 0 EDAALO Cc1nnc2n1CCN(C(=O)[C@@H]1CCCN(c3cccc[nH+]3)C1)C2 ZINC000069511411 202284671 /nfs/dbraw/zinc/28/46/71/202284671.db2.gz IYPFVFJHGRRUKZ-CQSZACIVSA-N 1 2 326.404 1.240 50 0 EDAALO CN(C)C(=O)Cc1nc(C[N@@H+]2CCCC[C@H]2Cn2cncn2)cs1 ZINC000069583011 202286072 /nfs/dbraw/zinc/28/60/72/202286072.db2.gz GSDWFISKYVWJDW-AWEZNQCLSA-N 1 2 348.476 1.420 50 0 EDAALO CN(C)C(=O)Cc1nc(C[N@H+]2CCCC[C@H]2Cn2cncn2)cs1 ZINC000069583011 202286074 /nfs/dbraw/zinc/28/60/74/202286074.db2.gz GSDWFISKYVWJDW-AWEZNQCLSA-N 1 2 348.476 1.420 50 0 EDAALO COc1ccc(CN(C)C(=O)C[N@@H+]2CCc3cncnc3C2)cc1 ZINC000069598174 202287516 /nfs/dbraw/zinc/28/75/16/202287516.db2.gz XHTBOCWZORZXOG-UHFFFAOYSA-N 1 2 326.400 1.502 50 0 EDAALO COc1ccc(CN(C)C(=O)C[N@H+]2CCc3cncnc3C2)cc1 ZINC000069598174 202287518 /nfs/dbraw/zinc/28/75/18/202287518.db2.gz XHTBOCWZORZXOG-UHFFFAOYSA-N 1 2 326.400 1.502 50 0 EDAALO C[C@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCCO2 ZINC000072232579 202366249 /nfs/dbraw/zinc/36/62/49/202366249.db2.gz JZNAEQNLLOUNCU-GXTWGEPZSA-N 1 2 327.384 1.889 50 0 EDAALO COc1cccc2c1OC[C@H](C(=O)N[C@H]1CCc3[nH+]c(C)cn3C1)C2 ZINC000072235896 202356870 /nfs/dbraw/zinc/35/68/70/202356870.db2.gz XICKWSPCCBKOIG-CABCVRRESA-N 1 2 341.411 1.882 50 0 EDAALO OC[C@@H]1CCCN1c1cc(NCc2cccc3c2OCO3)[nH+]cn1 ZINC000072276170 202360794 /nfs/dbraw/zinc/36/07/94/202360794.db2.gz GBXDWGXHWXNAKJ-ZDUSSCGKSA-N 1 2 328.372 1.779 50 0 EDAALO OC[C@@H]1CCCN1c1cc(NCc2cccc3c2OCO3)nc[nH+]1 ZINC000072276170 202360797 /nfs/dbraw/zinc/36/07/97/202360797.db2.gz GBXDWGXHWXNAKJ-ZDUSSCGKSA-N 1 2 328.372 1.779 50 0 EDAALO OC[C@H]1CCCN1c1cc(NC[C@@H](O)c2cccc(F)c2)[nH+]cn1 ZINC000072276194 202361807 /nfs/dbraw/zinc/36/18/07/202361807.db2.gz DMZSJLTZIFFHLL-HUUCEWRRSA-N 1 2 332.379 1.722 50 0 EDAALO OC[C@H]1CCCN1c1cc(NC[C@@H](O)c2cccc(F)c2)nc[nH+]1 ZINC000072276194 202361808 /nfs/dbraw/zinc/36/18/08/202361808.db2.gz DMZSJLTZIFFHLL-HUUCEWRRSA-N 1 2 332.379 1.722 50 0 EDAALO Cc1oc(-c2ccco2)nc1C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000072302363 202363975 /nfs/dbraw/zinc/36/39/75/202363975.db2.gz SOLFRFAZMFRKOU-UHFFFAOYSA-N 1 2 326.356 1.895 50 0 EDAALO Cc1oc(-c2ccco2)nc1C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000072302363 202363977 /nfs/dbraw/zinc/36/39/77/202363977.db2.gz SOLFRFAZMFRKOU-UHFFFAOYSA-N 1 2 326.356 1.895 50 0 EDAALO Cn1ccnc1COc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000040539888 202450830 /nfs/dbraw/zinc/45/08/30/202450830.db2.gz KOJLXBJGYWWSTB-UHFFFAOYSA-N 1 2 344.415 1.061 50 0 EDAALO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000081724360 202485182 /nfs/dbraw/zinc/48/51/82/202485182.db2.gz SNRZMUCZQNFYLK-UHFFFAOYSA-N 1 2 346.435 1.105 50 0 EDAALO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1)NCc1cccnc1 ZINC000225651089 201036418 /nfs/dbraw/zinc/03/64/18/201036418.db2.gz JDQOLJVDNJDLGT-IAGOWNOFSA-N 1 2 329.375 1.645 50 0 EDAALO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1)NCc1cccnc1 ZINC000225651089 201036421 /nfs/dbraw/zinc/03/64/21/201036421.db2.gz JDQOLJVDNJDLGT-IAGOWNOFSA-N 1 2 329.375 1.645 50 0 EDAALO C/C=C\c1ccc(OCC(=O)N(C)CC[NH+]2CCOCC2)c(OC)c1 ZINC000096189926 201374530 /nfs/dbraw/zinc/37/45/30/201374530.db2.gz ZJIJFAJUEMSPMN-PLNGDYQASA-N 1 2 348.443 1.898 50 0 EDAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1csc(-c3cnn(C)c3)n1)C2 ZINC000097199184 201380863 /nfs/dbraw/zinc/38/08/63/201380863.db2.gz UYAXGMHMWAAHFS-GFCCVEGCSA-N 1 2 342.428 1.793 50 0 EDAALO CC(C)n1cnc(S(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000154090875 201394595 /nfs/dbraw/zinc/39/45/95/201394595.db2.gz SGFOXSVARIBKPE-AWEZNQCLSA-N 1 2 336.417 1.701 50 0 EDAALO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000194654042 240666180 /nfs/dbraw/zinc/66/61/80/240666180.db2.gz NKQATYYGLJQWHD-UHFFFAOYSA-N 1 2 349.350 1.528 50 0 EDAALO CC(C)Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3ccn(C)n3)C2)n1 ZINC000244652065 243049231 /nfs/dbraw/zinc/04/92/31/243049231.db2.gz GZCNVZBXPNJIIW-ZDUSSCGKSA-N 1 2 346.435 1.820 50 0 EDAALO CC(C)Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3ccn(C)n3)C2)n1 ZINC000244652065 243049234 /nfs/dbraw/zinc/04/92/34/243049234.db2.gz GZCNVZBXPNJIIW-ZDUSSCGKSA-N 1 2 346.435 1.820 50 0 EDAALO O=C(NCC[NH+]1CCOCC1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000069656831 203033350 /nfs/dbraw/zinc/03/33/50/203033350.db2.gz HQBFQPLXXBFWRY-HNNXBMFYSA-N 1 2 347.415 1.594 50 0 EDAALO CCn1ccnc1CN1CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000069493015 203008540 /nfs/dbraw/zinc/00/85/40/203008540.db2.gz WKPRMNGJMYVFSO-INIZCTEOSA-N 1 2 347.507 1.858 50 0 EDAALO O=C(CC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1)N1CCOCC1 ZINC000069509236 203010571 /nfs/dbraw/zinc/01/05/71/203010571.db2.gz LQBULBMRTWAIAP-MRXNPFEDSA-N 1 2 338.835 1.962 50 0 EDAALO O=C(CC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1)N1CCOCC1 ZINC000069509236 203010576 /nfs/dbraw/zinc/01/05/76/203010576.db2.gz LQBULBMRTWAIAP-MRXNPFEDSA-N 1 2 338.835 1.962 50 0 EDAALO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000069531589 203016617 /nfs/dbraw/zinc/01/66/17/203016617.db2.gz RNSJTKWRPHFNIT-HNNXBMFYSA-N 1 2 348.472 1.634 50 0 EDAALO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000069531589 203016619 /nfs/dbraw/zinc/01/66/19/203016619.db2.gz RNSJTKWRPHFNIT-HNNXBMFYSA-N 1 2 348.472 1.634 50 0 EDAALO C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)c1[nH+]cnc2c1cnn2C ZINC000069565635 203020149 /nfs/dbraw/zinc/02/01/49/203020149.db2.gz QNRQTFLLRVVDPC-JTQLQIEISA-N 1 2 346.416 1.208 50 0 EDAALO C[N@H+](CCN1CCCC1=O)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000069701403 203037943 /nfs/dbraw/zinc/03/79/43/203037943.db2.gz QXOSGODZGPMFOH-HNNXBMFYSA-N 1 2 335.835 2.000 50 0 EDAALO C[N@@H+](CCN1CCCC1=O)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000069701403 203037945 /nfs/dbraw/zinc/03/79/45/203037945.db2.gz QXOSGODZGPMFOH-HNNXBMFYSA-N 1 2 335.835 2.000 50 0 EDAALO Cc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2[NH+]2CCCC2)cc1C ZINC000069772367 203046871 /nfs/dbraw/zinc/04/68/71/203046871.db2.gz RCRRBIQFIDFYBZ-JKSUJKDBSA-N 1 2 336.457 1.295 50 0 EDAALO C[C@@H](CNC(=O)CCCOc1ccccc1F)[NH+]1CCN(C)CC1 ZINC000069878993 203059904 /nfs/dbraw/zinc/05/99/04/203059904.db2.gz ZOLDQJREXMIRNJ-HNNXBMFYSA-N 1 2 337.439 1.737 50 0 EDAALO Cc1[nH]nc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1Br ZINC000069951095 203065689 /nfs/dbraw/zinc/06/56/89/203065689.db2.gz WNYSCSFQWKMNJN-UHFFFAOYSA-N 1 2 345.241 1.009 50 0 EDAALO O=c1[nH]c(C[N@H+]2CCC[C@@H](OCCO)C2)nc2ccc(Cl)cc12 ZINC000069982445 203069193 /nfs/dbraw/zinc/06/91/93/203069193.db2.gz ZTXWVJAJZCEUID-GFCCVEGCSA-N 1 2 337.807 1.550 50 0 EDAALO O=c1[nH]c(C[N@@H+]2CCC[C@@H](OCCO)C2)nc2ccc(Cl)cc12 ZINC000069982445 203069197 /nfs/dbraw/zinc/06/91/97/203069197.db2.gz ZTXWVJAJZCEUID-GFCCVEGCSA-N 1 2 337.807 1.550 50 0 EDAALO C[C@@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@@H](C(N)=O)O1 ZINC000092005673 203078144 /nfs/dbraw/zinc/07/81/44/203078144.db2.gz GRDYQGPUNGIOML-PXAZEXFGSA-N 1 2 329.375 1.962 50 0 EDAALO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@@H](C(N)=O)O1 ZINC000092005673 203078147 /nfs/dbraw/zinc/07/81/47/203078147.db2.gz GRDYQGPUNGIOML-PXAZEXFGSA-N 1 2 329.375 1.962 50 0 EDAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CC1 ZINC000071841361 203125076 /nfs/dbraw/zinc/12/50/76/203125076.db2.gz QLLLICHBYFAPQR-CVEARBPZSA-N 1 2 343.431 1.473 50 0 EDAALO C[C@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000071908268 203145741 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50 0 EDAALO CCn1nc2c(cc1=O)C[N@@H+](Cc1nc(-c3cccnc3)no1)CC2 ZINC000078615576 202399033 /nfs/dbraw/zinc/39/90/33/202399033.db2.gz DSUAWXHUKNCHRM-UHFFFAOYSA-N 1 2 338.371 1.267 50 0 EDAALO CCn1nc2c(cc1=O)C[N@H+](Cc1nc(-c3cccnc3)no1)CC2 ZINC000078615576 202399037 /nfs/dbraw/zinc/39/90/37/202399037.db2.gz DSUAWXHUKNCHRM-UHFFFAOYSA-N 1 2 338.371 1.267 50 0 EDAALO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1)NCc1cccnc1 ZINC000225651159 201035577 /nfs/dbraw/zinc/03/55/77/201035577.db2.gz JDQOLJVDNJDLGT-IRXDYDNUSA-N 1 2 329.375 1.645 50 0 EDAALO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1)NCc1cccnc1 ZINC000225651159 201035581 /nfs/dbraw/zinc/03/55/81/201035581.db2.gz JDQOLJVDNJDLGT-IRXDYDNUSA-N 1 2 329.375 1.645 50 0 EDAALO Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000097197496 201379796 /nfs/dbraw/zinc/37/97/96/201379796.db2.gz KVUFFSPWERLCJR-CYBMUJFWSA-N 1 2 337.383 1.033 50 0 EDAALO Cc1nc(C(=O)N[C@@H]2CCc3[nH+]ccn3C2)nn1-c1ccc(F)cc1 ZINC000097197934 201381169 /nfs/dbraw/zinc/38/11/69/201381169.db2.gz ASNLPJXZQPHLOS-CYBMUJFWSA-N 1 2 340.362 1.656 50 0 EDAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)Cn1cnc3sccc3c1=O)C2 ZINC000097198265 201381292 /nfs/dbraw/zinc/38/12/92/201381292.db2.gz VKQCVIPQZIDTTF-NSHDSACASA-N 1 2 343.412 1.094 50 0 EDAALO Cc1cc(N2CCN(C(=O)NC[C@H]3CCOC3)CC2)nc(C(C)C)[nH+]1 ZINC000047067878 202576525 /nfs/dbraw/zinc/57/65/25/202576525.db2.gz JLEQFZGRGMSVAC-OAHLLOKOSA-N 1 2 347.463 1.777 50 0 EDAALO O=C(NCc1cccc(-n2cncn2)c1)C1CC[NH+](CC(F)F)CC1 ZINC000225804338 242042869 /nfs/dbraw/zinc/04/28/69/242042869.db2.gz MCSNVBMUBYIGNJ-UHFFFAOYSA-N 1 2 349.385 1.861 50 0 EDAALO COC(=O)c1cncnc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000225817124 242050086 /nfs/dbraw/zinc/05/00/86/242050086.db2.gz UATZCZGGTZSLCI-UHFFFAOYSA-N 1 2 329.360 1.107 50 0 EDAALO C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000229684059 242188257 /nfs/dbraw/zinc/18/82/57/242188257.db2.gz UVHUJTYHXMXUKD-GHMZBOCLSA-N 1 2 325.434 1.654 50 0 EDAALO C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000229684059 242188263 /nfs/dbraw/zinc/18/82/63/242188263.db2.gz UVHUJTYHXMXUKD-GHMZBOCLSA-N 1 2 325.434 1.654 50 0 EDAALO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000229704360 242192067 /nfs/dbraw/zinc/19/20/67/242192067.db2.gz JYRPFGZPPMBJRL-JYJNAYRXSA-N 1 2 347.459 1.856 50 0 EDAALO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCCCOC(C)C ZINC000230285979 242258098 /nfs/dbraw/zinc/25/80/98/242258098.db2.gz VUHHRXJFDGHFFI-FMKPAKJESA-N 1 2 326.437 1.191 50 0 EDAALO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCCCOC(C)C ZINC000230285979 242258103 /nfs/dbraw/zinc/25/81/03/242258103.db2.gz VUHHRXJFDGHFFI-FMKPAKJESA-N 1 2 326.437 1.191 50 0 EDAALO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)N1CCN(c2ccccn2)CC1 ZINC000230251053 242255331 /nfs/dbraw/zinc/25/53/31/242255331.db2.gz LHDHFVFDOFTWTM-IAGOWNOFSA-N 1 2 344.459 1.374 50 0 EDAALO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)N1CCN(c2ccccn2)CC1 ZINC000230251053 242255335 /nfs/dbraw/zinc/25/53/35/242255335.db2.gz LHDHFVFDOFTWTM-IAGOWNOFSA-N 1 2 344.459 1.374 50 0 EDAALO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@]2(CN(C)C(=O)O2)C1 ZINC000244685575 243057806 /nfs/dbraw/zinc/05/78/06/243057806.db2.gz ISPAVROQXPFWBO-SFHVURJKSA-N 1 2 342.399 1.788 50 0 EDAALO Cn1ccc(NC(=O)C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)n1 ZINC000244758126 243076184 /nfs/dbraw/zinc/07/61/84/243076184.db2.gz OSUTYYZWQYSLHG-QGZVFWFLSA-N 1 2 329.404 1.199 50 0 EDAALO COc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3CNC(N)=O)o2)cc1 ZINC000069453076 203002954 /nfs/dbraw/zinc/00/29/54/203002954.db2.gz JLTOEXLYOZOTMY-ZDUSSCGKSA-N 1 2 345.403 1.768 50 0 EDAALO COc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3CNC(N)=O)o2)cc1 ZINC000069453076 203002957 /nfs/dbraw/zinc/00/29/57/203002957.db2.gz JLTOEXLYOZOTMY-ZDUSSCGKSA-N 1 2 345.403 1.768 50 0 EDAALO C[C@@H]1CN(CC(=O)N(C)c2nccs2)CCN1Cc1[nH+]ccn1C ZINC000069453989 203003034 /nfs/dbraw/zinc/00/30/34/203003034.db2.gz IIOHHCISSFUEMJ-CYBMUJFWSA-N 1 2 348.476 1.046 50 0 EDAALO CCC(=O)N[C@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000069513588 203011567 /nfs/dbraw/zinc/01/15/67/203011567.db2.gz CHRHYAHOQYXMFP-AWEZNQCLSA-N 1 2 328.416 1.702 50 0 EDAALO COc1cccc(NC(=O)N2CC[NH+]([C@H](C)C(=O)NC(C)C)CC2)c1 ZINC000069516954 203011844 /nfs/dbraw/zinc/01/18/44/203011844.db2.gz XLLJMGHMQNADPL-CQSZACIVSA-N 1 2 348.447 1.758 50 0 EDAALO O=C(Cc1cccnc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000069815932 203053650 /nfs/dbraw/zinc/05/36/50/203053650.db2.gz USFDLYOQIMTBHS-UHFFFAOYSA-N 1 2 337.423 1.903 50 0 EDAALO CC1CCC(NC(=O)CN2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000069667956 203036333 /nfs/dbraw/zinc/03/63/33/203036333.db2.gz YTGQIEJWUNSWOW-UHFFFAOYSA-N 1 2 330.476 1.894 50 0 EDAALO OC[C@@H]1CCCN1c1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1 ZINC000069702901 203039679 /nfs/dbraw/zinc/03/96/79/203039679.db2.gz NEQJNFPEJYTJOO-KRWDZBQOSA-N 1 2 339.443 1.764 50 0 EDAALO OC[C@@H]1CCCN1c1cc(N2CCN(c3ccccc3)CC2)nc[nH+]1 ZINC000069702901 203039681 /nfs/dbraw/zinc/03/96/81/203039681.db2.gz NEQJNFPEJYTJOO-KRWDZBQOSA-N 1 2 339.443 1.764 50 0 EDAALO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C1(c2ccccc2)CC1 ZINC000069744089 203045046 /nfs/dbraw/zinc/04/50/46/203045046.db2.gz BOEZFVQTAUHOHW-UHFFFAOYSA-N 1 2 340.427 1.886 50 0 EDAALO Cc1noc(CN2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)n1 ZINC000069808446 203050949 /nfs/dbraw/zinc/05/09/49/203050949.db2.gz RUHFDJUXPHVXPB-QHCPKHFHSA-N 1 2 334.445 1.303 50 0 EDAALO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1 ZINC000069870647 203058380 /nfs/dbraw/zinc/05/83/80/203058380.db2.gz LTKWRPVXXWMXDB-GFCCVEGCSA-N 1 2 333.363 1.619 50 0 EDAALO COc1cccc(CC(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000069876799 203059853 /nfs/dbraw/zinc/05/98/53/203059853.db2.gz YZLTUTGPXPZBRY-UHFFFAOYSA-N 1 2 342.443 1.706 50 0 EDAALO COc1cccc(CC(=O)N2CCC[N@H+](Cc3nccn3C)CC2)c1 ZINC000069876799 203059857 /nfs/dbraw/zinc/05/98/57/203059857.db2.gz YZLTUTGPXPZBRY-UHFFFAOYSA-N 1 2 342.443 1.706 50 0 EDAALO COc1cccc(CC(=O)N2CCC[N@@H+](Cc3nccn3C)CC2)c1 ZINC000069876799 203059859 /nfs/dbraw/zinc/05/98/59/203059859.db2.gz YZLTUTGPXPZBRY-UHFFFAOYSA-N 1 2 342.443 1.706 50 0 EDAALO Cc1nc(C)c([C@@H](C)N(C)C(=O)NCC[NH+]2CCOCC2)s1 ZINC000069900670 203062129 /nfs/dbraw/zinc/06/21/29/203062129.db2.gz IZCMHXYGSXUYBM-GFCCVEGCSA-N 1 2 326.466 1.795 50 0 EDAALO C[C@@H](O)CN1CC[NH+](C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000069921986 203063492 /nfs/dbraw/zinc/06/34/92/203063492.db2.gz TUEQMTCWHNWUDR-DOMZBBRYSA-N 1 2 348.365 1.617 50 0 EDAALO COc1ccc(-c2nc(C[N@@H+]3CC[C@H](O)[C@@H](O)C3)c(C)o2)cc1OC ZINC000071730407 203105307 /nfs/dbraw/zinc/10/53/07/203105307.db2.gz NODQPCDBKBZBEF-GJZGRUSLSA-N 1 2 348.399 1.595 50 0 EDAALO COc1ccc(-c2nc(C[N@H+]3CC[C@H](O)[C@@H](O)C3)c(C)o2)cc1OC ZINC000071730407 203105309 /nfs/dbraw/zinc/10/53/09/203105309.db2.gz NODQPCDBKBZBEF-GJZGRUSLSA-N 1 2 348.399 1.595 50 0 EDAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)CC1 ZINC000071841360 203125184 /nfs/dbraw/zinc/12/51/84/203125184.db2.gz QLLLICHBYFAPQR-HZPDHXFCSA-N 1 2 343.431 1.473 50 0 EDAALO Cn1cc(-c2nc(C[N@@H+]3CCC[C@H](N4CCNC4=O)C3)cs2)cn1 ZINC000071841092 203125524 /nfs/dbraw/zinc/12/55/24/203125524.db2.gz STUZZCMBIHEGBH-AWEZNQCLSA-N 1 2 346.460 1.533 50 0 EDAALO Cn1cc(-c2nc(C[N@H+]3CCC[C@H](N4CCNC4=O)C3)cs2)cn1 ZINC000071841092 203125526 /nfs/dbraw/zinc/12/55/26/203125526.db2.gz STUZZCMBIHEGBH-AWEZNQCLSA-N 1 2 346.460 1.533 50 0 EDAALO CC1(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CCOCC1 ZINC000071863776 203131738 /nfs/dbraw/zinc/13/17/38/203131738.db2.gz HSIBDUAVLIOOQY-QGZVFWFLSA-N 1 2 332.444 1.681 50 0 EDAALO C[C@@H](O)C[NH+]1CCN(C(=O)c2cccnc2Oc2cccnc2)CC1 ZINC000071871447 203132915 /nfs/dbraw/zinc/13/29/15/203132915.db2.gz RLOYWSZDMCFPLG-CQSZACIVSA-N 1 2 342.399 1.408 50 0 EDAALO CCOC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000071881951 203135884 /nfs/dbraw/zinc/13/58/84/203135884.db2.gz CHBJRMGAHSYKBB-CYBMUJFWSA-N 1 2 328.359 1.120 50 0 EDAALO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)nc1 ZINC000071893085 203138583 /nfs/dbraw/zinc/13/85/83/203138583.db2.gz BZLVRMRSFSAFII-LLVKDONJSA-N 1 2 344.337 1.424 50 0 EDAALO Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)nc1 ZINC000071893085 203138586 /nfs/dbraw/zinc/13/85/86/203138586.db2.gz BZLVRMRSFSAFII-LLVKDONJSA-N 1 2 344.337 1.424 50 0 EDAALO CCOC(=O)C[N@@H+]1CCCN(c2ncc(Br)cn2)CC1 ZINC000071889663 203139436 /nfs/dbraw/zinc/13/94/36/203139436.db2.gz OKQKLCLPGABMPL-UHFFFAOYSA-N 1 2 343.225 1.314 50 0 EDAALO CCOC(=O)C[N@H+]1CCCN(c2ncc(Br)cn2)CC1 ZINC000071889663 203139439 /nfs/dbraw/zinc/13/94/39/203139439.db2.gz OKQKLCLPGABMPL-UHFFFAOYSA-N 1 2 343.225 1.314 50 0 EDAALO O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NCC[NH+]1CCOCC1 ZINC000072293082 203195661 /nfs/dbraw/zinc/19/56/61/203195661.db2.gz CJWDHDIKVJYCBD-HNNXBMFYSA-N 1 2 345.365 1.328 50 0 EDAALO O=C(CCn1ccccc1=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072453685 203226449 /nfs/dbraw/zinc/22/64/49/203226449.db2.gz FABFICYJTUXLKM-UHFFFAOYSA-N 1 2 343.402 1.722 50 0 EDAALO 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HTVVBIHOBCQSFY-UHFFFAOYSA-N 1 2 331.420 1.627 50 0 EDAALO CCc1noc(C)c1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000069490009 441950282 /nfs/dbraw/zinc/95/02/82/441950282.db2.gz HTVVBIHOBCQSFY-UHFFFAOYSA-N 1 2 331.420 1.627 50 0 EDAALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000095947291 441957612 /nfs/dbraw/zinc/95/76/12/441957612.db2.gz AQFMMMSJKUQRTK-CYBMUJFWSA-N 1 2 333.407 1.180 50 0 EDAALO Cn1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1=O ZINC000095954191 441958623 /nfs/dbraw/zinc/95/86/23/441958623.db2.gz FVKWGSWAQSYDOZ-QGZVFWFLSA-N 1 2 341.411 1.189 50 0 EDAALO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc3ccccc3n2C)CC1 ZINC000069516342 441960083 /nfs/dbraw/zinc/96/00/83/441960083.db2.gz FKDCJLBSBNHXPS-UHFFFAOYSA-N 1 2 342.443 1.414 50 0 EDAALO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc3ccccc3n2C)CC1 ZINC000069516342 441960086 /nfs/dbraw/zinc/96/00/86/441960086.db2.gz FKDCJLBSBNHXPS-UHFFFAOYSA-N 1 2 342.443 1.414 50 0 EDAALO CCN(CC)C(=O)C1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC000095961725 441961801 /nfs/dbraw/zinc/96/18/01/441961801.db2.gz HPJPBKQXCDMSOF-CQSZACIVSA-N 1 2 325.453 1.005 50 0 EDAALO CCN(CC)C(=O)C1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC000095961725 441961805 /nfs/dbraw/zinc/96/18/05/441961805.db2.gz HPJPBKQXCDMSOF-CQSZACIVSA-N 1 2 325.453 1.005 50 0 EDAALO COc1cc(C)nc(N2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)n1 ZINC000069625462 441994757 /nfs/dbraw/zinc/99/47/57/441994757.db2.gz XTWPVSMUOXEHLT-MRXNPFEDSA-N 1 2 346.406 1.788 50 0 EDAALO O=C(c1ccc2c(c1)OCC(=O)N2)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069660411 442005264 /nfs/dbraw/zinc/00/52/64/442005264.db2.gz RNKQAWZKIACUKS-ZDUSSCGKSA-N 1 2 326.356 1.691 50 0 EDAALO CN(CCc1ccccn1)c1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC000069702696 442015010 /nfs/dbraw/zinc/01/50/10/442015010.db2.gz PFUGLQBRPQNCGR-CQSZACIVSA-N 1 2 326.404 1.005 50 0 EDAALO CN(CCc1ccccn1)c1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC000069702696 442015015 /nfs/dbraw/zinc/01/50/15/442015015.db2.gz PFUGLQBRPQNCGR-CQSZACIVSA-N 1 2 326.404 1.005 50 0 EDAALO CCc1nnsc1C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000069708210 442019003 /nfs/dbraw/zinc/01/90/03/442019003.db2.gz UOQNQCJTLCBJNR-UHFFFAOYSA-N 1 2 348.476 1.665 50 0 EDAALO O=C1OCCN1CC[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000069743241 442030269 /nfs/dbraw/zinc/03/02/69/442030269.db2.gz IVDODGHFUXEDQB-UHFFFAOYSA-N 1 2 345.325 1.070 50 0 EDAALO O[C@@H](COc1ccccc1)C[NH+]1CCN(C[C@@H]2CCCCO2)CC1 ZINC000069771480 442035150 /nfs/dbraw/zinc/03/51/50/442035150.db2.gz KBKXRSDTTCMYTH-MJGOQNOKSA-N 1 2 334.460 1.613 50 0 EDAALO CS(=O)(=O)Cc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000069775076 442036719 /nfs/dbraw/zinc/03/67/19/442036719.db2.gz QGTYGDYIAODEBD-UHFFFAOYSA-N 1 2 347.440 1.858 50 0 EDAALO C[C@@H](CS(C)(=O)=O)N(C)C(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000069844944 442054912 /nfs/dbraw/zinc/05/49/12/442054912.db2.gz MICGRLKVCQAVFZ-LBPRGKRZSA-N 1 2 349.456 1.805 50 0 EDAALO Cc1nc(C)c(C(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)s1 ZINC000069878944 442066879 /nfs/dbraw/zinc/06/68/79/442066879.db2.gz VBRYORGAXJJFOW-UHFFFAOYSA-N 1 2 333.461 1.842 50 0 EDAALO CC(C)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2OCCc3ccccc32)CC1 ZINC000096406589 442114539 /nfs/dbraw/zinc/11/45/39/442114539.db2.gz RXMCZKYPIRRCRL-QFBILLFUSA-N 1 2 345.487 1.831 50 0 EDAALO CC(C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2OCCc3ccccc32)CC1 ZINC000096406590 442114666 /nfs/dbraw/zinc/11/46/66/442114666.db2.gz RXMCZKYPIRRCRL-APWZRJJASA-N 1 2 345.487 1.831 50 0 EDAALO Cc1ccc([C@](C)(O)CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000096440233 442132086 /nfs/dbraw/zinc/13/20/86/442132086.db2.gz ZVOBHEBDFOZZQC-QGZVFWFLSA-N 1 2 326.356 1.806 50 0 EDAALO C[C@@H]1C[NH+]=C(N2CCN(c3nnnn3-c3ccccc3)CC2)S1 ZINC000096453740 442135751 /nfs/dbraw/zinc/13/57/51/442135751.db2.gz SXNGHSZKANMPRQ-GFCCVEGCSA-N 1 2 329.433 1.276 50 0 EDAALO NC(=O)c1cncc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000096455752 442137171 /nfs/dbraw/zinc/13/71/71/442137171.db2.gz RSEUJIABIXYTDR-UHFFFAOYSA-N 1 2 331.807 1.551 50 0 EDAALO CC(=O)NCCCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000097142505 442175302 /nfs/dbraw/zinc/17/53/02/442175302.db2.gz GDZQASSJSJZTRP-ZDUSSCGKSA-N 1 2 338.477 1.663 50 0 EDAALO O=C(N[C@H]1CCc2[nH+]ccn2C1)c1cnnn1-c1ccccc1Cl ZINC000097197361 442180202 /nfs/dbraw/zinc/18/02/02/442180202.db2.gz FJCSEAZPOHRQTN-NSHDSACASA-N 1 2 342.790 1.862 50 0 EDAALO CC(=O)N[C@@H](CC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000097198521 442181663 /nfs/dbraw/zinc/18/16/63/442181663.db2.gz SPIMXTDBXJWJQS-IRXDYDNUSA-N 1 2 340.427 1.890 50 0 EDAALO OCCn1ncc2c1nc[nH+]c2NC[C@@H](O)c1ccc(F)cc1F ZINC000097200216 442183619 /nfs/dbraw/zinc/18/36/19/442183619.db2.gz SVGBTDPMKCVCOL-CYBMUJFWSA-N 1 2 335.314 1.242 50 0 EDAALO Cc1nc(N2CCN(C(=O)NCc3cc(C(C)C)no3)CC2)cc[nH+]1 ZINC000097376450 442192811 /nfs/dbraw/zinc/19/28/11/442192811.db2.gz BNTYCNLYUSWMSK-UHFFFAOYSA-N 1 2 344.419 1.928 50 0 EDAALO C[N@H+](CCn1cnnc1)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000097083751 442164664 /nfs/dbraw/zinc/16/46/64/442164664.db2.gz BOHIGSWAHYAWKH-UHFFFAOYSA-N 1 2 335.774 1.783 50 0 EDAALO C[N@@H+](CCn1cnnc1)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000097083751 442164668 /nfs/dbraw/zinc/16/46/68/442164668.db2.gz BOHIGSWAHYAWKH-UHFFFAOYSA-N 1 2 335.774 1.783 50 0 EDAALO O=C(c1cnn(-c2ccccc2)n1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121380450 442210570 /nfs/dbraw/zinc/21/05/70/442210570.db2.gz XMDAEVPDYJFUNF-MRXNPFEDSA-N 1 2 335.367 1.956 50 0 EDAALO CC(=O)Nc1ccc(CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152451772 442214558 /nfs/dbraw/zinc/21/45/58/442214558.db2.gz NBWOILJWEHTRAD-QGZVFWFLSA-N 1 2 338.411 1.978 50 0 EDAALO O=C(Nc1cccc2[nH]ccc21)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000170603789 442235066 /nfs/dbraw/zinc/23/50/66/442235066.db2.gz LOUWZIJHCZHQPQ-ZDUSSCGKSA-N 1 2 337.383 1.994 50 0 EDAALO Cc1cc(N2CCN(C(=O)Cc3ccon3)CC2)nc(C(C)C)[nH+]1 ZINC000154717512 442352967 /nfs/dbraw/zinc/35/29/67/442352967.db2.gz JSEOPONJWPXXEI-UHFFFAOYSA-N 1 2 329.404 1.788 50 0 EDAALO CNc1nc(NC[C@H]2CCCS2(=O)=O)[nH+]cc1Br ZINC000133379275 442415012 /nfs/dbraw/zinc/41/50/12/442415012.db2.gz KZHFZDMSVZUBMQ-SSDOTTSWSA-N 1 2 335.227 1.270 50 0 EDAALO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248412130 442890724 /nfs/dbraw/zinc/89/07/24/442890724.db2.gz FCYFUGIZKIOFTJ-NSHDSACASA-N 1 2 349.378 1.959 50 0 EDAALO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248412130 442890727 /nfs/dbraw/zinc/89/07/27/442890727.db2.gz FCYFUGIZKIOFTJ-NSHDSACASA-N 1 2 349.378 1.959 50 0 EDAALO O=C(NCCn1cc[nH+]c1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187035637 318553107 /nfs/dbraw/zinc/55/31/07/318553107.db2.gz GRTZGRHRBIWGGT-OAHLLOKOSA-N 1 2 336.342 1.944 50 0 EDAALO CCn1cc[nH+]c1CN1CCN(Cc2nnc(C3CC3)n2C)C[C@H]1C ZINC000252474882 443024222 /nfs/dbraw/zinc/02/42/22/443024222.db2.gz NYQDJBWXKRRBJY-CQSZACIVSA-N 1 2 343.479 1.615 50 0 EDAALO C[C@@H](c1cnccn1)[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000184470302 443025404 /nfs/dbraw/zinc/02/54/04/443025404.db2.gz KEIQPVXLKIJEFF-HNNXBMFYSA-N 1 2 346.456 1.934 50 0 EDAALO C[C@@H](c1cnccn1)[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000184470302 443025410 /nfs/dbraw/zinc/02/54/10/443025410.db2.gz KEIQPVXLKIJEFF-HNNXBMFYSA-N 1 2 346.456 1.934 50 0 EDAALO Cn1c(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)nnc1C1CCC1 ZINC000189921081 443028770 /nfs/dbraw/zinc/02/87/70/443028770.db2.gz ZTYWUALJHKFBAL-HNNXBMFYSA-N 1 2 347.463 1.342 50 0 EDAALO Cn1c(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)nnc1C1CCC1 ZINC000189921081 443028773 /nfs/dbraw/zinc/02/87/73/443028773.db2.gz ZTYWUALJHKFBAL-HNNXBMFYSA-N 1 2 347.463 1.342 50 0 EDAALO Cc1csc([C@@H]2C[N@H+](C[C@@H](O)COC[C@H]3CCCO3)CCO2)n1 ZINC000253369341 443051265 /nfs/dbraw/zinc/05/12/65/443051265.db2.gz BEHSRKXHNBNNEG-KFWWJZLASA-N 1 2 342.461 1.381 50 0 EDAALO Cc1csc([C@@H]2C[N@@H+](C[C@@H](O)COC[C@H]3CCCO3)CCO2)n1 ZINC000253369341 443051269 /nfs/dbraw/zinc/05/12/69/443051269.db2.gz BEHSRKXHNBNNEG-KFWWJZLASA-N 1 2 342.461 1.381 50 0 EDAALO COC[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2-c2ccccc2)[C@@H]2CCO[C@H]12 ZINC000222737844 443081538 /nfs/dbraw/zinc/08/15/38/443081538.db2.gz PLAKOFTUCQPWQO-LAQRGFTBSA-N 1 2 341.411 1.716 50 0 EDAALO C[C@@](CO)(CNc1cc(N2CCOCC2)nc[nH+]1)Cc1ccccc1 ZINC000225491857 443107871 /nfs/dbraw/zinc/10/78/71/443107871.db2.gz RYMUSTZYZLPWJE-IBGZPJMESA-N 1 2 342.443 1.966 50 0 EDAALO C[C@@](CO)(CNc1cc(N2CCOCC2)[nH+]cn1)Cc1ccccc1 ZINC000225491857 443107876 /nfs/dbraw/zinc/10/78/76/443107876.db2.gz RYMUSTZYZLPWJE-IBGZPJMESA-N 1 2 342.443 1.966 50 0 EDAALO O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000225515406 443110335 /nfs/dbraw/zinc/11/03/35/443110335.db2.gz RNTNXXSRGWWVET-GJZGRUSLSA-N 1 2 338.411 1.432 50 0 EDAALO O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000225515406 443110339 /nfs/dbraw/zinc/11/03/39/443110339.db2.gz RNTNXXSRGWWVET-GJZGRUSLSA-N 1 2 338.411 1.432 50 0 EDAALO O[C@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000229482893 443127664 /nfs/dbraw/zinc/12/76/64/443127664.db2.gz GWAQIWXAEOVLDG-KGLIPLIRSA-N 1 2 345.399 1.758 50 0 EDAALO 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C[C@H]1CN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C[C@@H](C2CC2)O1 ZINC000408524552 250303322 /nfs/dbraw/zinc/30/33/22/250303322.db2.gz VNJFVMWXHHCOQG-ZFWWWQNUSA-N 1 2 332.448 1.832 50 0 EDAALO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000008749575 210999783 /nfs/dbraw/zinc/99/97/83/210999783.db2.gz NKGARQVWPSMLPT-UHFFFAOYSA-N 1 2 345.424 1.331 50 0 EDAALO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000008749575 210999786 /nfs/dbraw/zinc/99/97/86/210999786.db2.gz NKGARQVWPSMLPT-UHFFFAOYSA-N 1 2 345.424 1.331 50 0 EDAALO CCc1nncn1CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000095424859 218366799 /nfs/dbraw/zinc/36/67/99/218366799.db2.gz VPPOZUPCBKRIJW-CQSZACIVSA-N 1 2 345.451 1.238 50 0 EDAALO CCc1cnc(CNC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)s1 ZINC000097376465 219019249 /nfs/dbraw/zinc/01/92/49/219019249.db2.gz TZPRKCTWASRULE-UHFFFAOYSA-N 1 2 346.460 1.836 50 0 EDAALO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(Cc2ccc(CO)o2)CC1 ZINC000093087175 533198486 /nfs/dbraw/zinc/19/84/86/533198486.db2.gz VEFNXYXRWGQYPI-HNNXBMFYSA-N 1 2 335.448 1.291 50 0 EDAALO C[C@@H](C(=O)N1CCCCC1)N1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000093087175 533198490 /nfs/dbraw/zinc/19/84/90/533198490.db2.gz VEFNXYXRWGQYPI-HNNXBMFYSA-N 1 2 335.448 1.291 50 0 EDAALO Cn1cc[nH+]c1CN(CCO)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000299772994 258084574 /nfs/dbraw/zinc/08/45/74/258084574.db2.gz BYIWWTJUFPFIHL-UHFFFAOYSA-N 1 2 347.806 1.076 50 0 EDAALO Cc1ocnc1C(=O)N1CCc2c([nH+]c(N(C)C)nc2N(C)C)C1 ZINC000299787590 258094139 /nfs/dbraw/zinc/09/41/39/258094139.db2.gz PJFNCLJAHVFNCJ-UHFFFAOYSA-N 1 2 330.392 1.104 50 0 EDAALO COc1ccc([C@@H](O)C[NH+]2CCN(c3ncccn3)CC2)cc1F ZINC000052798556 132185890 /nfs/dbraw/zinc/18/58/90/132185890.db2.gz VHBGZHAUCXVNBQ-HNNXBMFYSA-N 1 2 332.379 1.480 50 0 EDAALO COc1cccc(N2CC[NH+](CC(=O)NCc3ccco3)CC2)c1 ZINC000055070084 132193793 /nfs/dbraw/zinc/19/37/93/132193793.db2.gz MMXFQKWVPZANJZ-UHFFFAOYSA-N 1 2 329.400 1.727 50 0 EDAALO CC(C)CCNC(=O)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000036386347 132391703 /nfs/dbraw/zinc/39/17/03/132391703.db2.gz NXJUOAXKXCFIJV-UHFFFAOYSA-N 1 2 332.448 1.681 50 0 EDAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+](C)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000067816941 292083017 /nfs/dbraw/zinc/08/30/17/292083017.db2.gz PZBOEQCFGYPLHM-HZPDHXFCSA-N 1 2 349.456 1.283 50 0 EDAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+](C)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000067816941 292083018 /nfs/dbraw/zinc/08/30/18/292083018.db2.gz PZBOEQCFGYPLHM-HZPDHXFCSA-N 1 2 349.456 1.283 50 0 EDAALO COc1cccc(OCC[NH+]2CCN(C(=O)C[C@@H]3CCOC3)CC2)c1 ZINC000360910774 152248965 /nfs/dbraw/zinc/24/89/65/152248965.db2.gz WOAMUFVBRDHWSG-INIZCTEOSA-N 1 2 348.443 1.645 50 0 EDAALO CC(=O)N1CC[N@@H+]([C@@H](C)c2nnnn2C2CC2)CC12CCCCC2 ZINC000365254233 153461894 /nfs/dbraw/zinc/46/18/94/153461894.db2.gz GRTWXDDVYUGXLV-ZDUSSCGKSA-N 1 2 332.452 1.936 50 0 EDAALO CC(=O)N1CC[N@H+]([C@@H](C)c2nnnn2C2CC2)CC12CCCCC2 ZINC000365254233 153461897 /nfs/dbraw/zinc/46/18/97/153461897.db2.gz GRTWXDDVYUGXLV-ZDUSSCGKSA-N 1 2 332.452 1.936 50 0 EDAALO O=C(c1cnn(-c2ccccc2)n1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121380296 221829005 /nfs/dbraw/zinc/82/90/05/221829005.db2.gz XMDAEVPDYJFUNF-INIZCTEOSA-N 1 2 335.367 1.956 50 0 EDAALO COC(C)(C)CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000279841083 273332574 /nfs/dbraw/zinc/33/25/74/273332574.db2.gz ZTVXIAXDOGWELD-UHFFFAOYSA-N 1 2 330.432 1.794 50 0 EDAALO CN1C[C@@]2(CCCN(c3[nH+]c4c(cc3C(N)=O)CCC4)C2)OC1=O ZINC000072481437 290296523 /nfs/dbraw/zinc/29/65/23/290296523.db2.gz PRJSVBWZEDOZOZ-QGZVFWFLSA-N 1 2 330.388 1.090 50 0 EDAALO C[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@H](C)[N@H+]1C[C@H](O)C(F)(F)F ZINC000191136658 297022488 /nfs/dbraw/zinc/02/24/88/297022488.db2.gz YNALHFYPTNBIKU-JXUBOQSCSA-N 1 2 338.292 1.227 50 0 EDAALO C[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@H](C)[N@@H+]1C[C@H](O)C(F)(F)F ZINC000191136658 297022490 /nfs/dbraw/zinc/02/24/90/297022490.db2.gz YNALHFYPTNBIKU-JXUBOQSCSA-N 1 2 338.292 1.227 50 0 EDAALO C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)n1cccn1 ZINC000044536552 440855264 /nfs/dbraw/zinc/85/52/64/440855264.db2.gz MFGBRBCHTOVXLM-RBSFLKMASA-N 1 2 343.431 1.769 50 0 EDAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)CN2CCSC2=O)CC1 ZINC000044942839 440917382 /nfs/dbraw/zinc/91/73/82/440917382.db2.gz MHWUAVKPMZGKGU-UHFFFAOYSA-N 1 2 338.433 1.104 50 0 EDAALO O=C(NC[C@@H]1CCCO1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000044890987 440899426 /nfs/dbraw/zinc/89/94/26/440899426.db2.gz AKQKGPLSHMTUCB-INIZCTEOSA-N 1 2 343.431 1.341 50 0 EDAALO CC(C)C[N@H+](CC(N)=O)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000044898721 440904852 /nfs/dbraw/zinc/90/48/52/440904852.db2.gz LTWXXPROMSDYHZ-GFCCVEGCSA-N 1 2 325.840 1.961 50 0 EDAALO CC(C)C[N@@H+](CC(N)=O)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000044898721 440904855 /nfs/dbraw/zinc/90/48/55/440904855.db2.gz LTWXXPROMSDYHZ-GFCCVEGCSA-N 1 2 325.840 1.961 50 0 EDAALO CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000044948723 440921091 /nfs/dbraw/zinc/92/10/91/440921091.db2.gz GTRPZDIRLZWTRW-CQSZACIVSA-N 1 2 342.399 1.787 50 0 EDAALO CC(=O)Nc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cs1 ZINC000069969471 441098434 /nfs/dbraw/zinc/09/84/34/441098434.db2.gz ADZKXAJIZZEIAR-CQSZACIVSA-N 1 2 346.460 1.992 50 0 EDAALO CC(=O)Nc1nc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cs1 ZINC000069969471 441098436 /nfs/dbraw/zinc/09/84/36/441098436.db2.gz ADZKXAJIZZEIAR-CQSZACIVSA-N 1 2 346.460 1.992 50 0 EDAALO O=C(CCNc1nc(Cl)nc2nc[nH]c21)NCCCn1cc[nH+]c1 ZINC000009421284 441105457 /nfs/dbraw/zinc/10/54/57/441105457.db2.gz NCNAHKOZSLBLDT-UHFFFAOYSA-N 1 2 348.798 1.211 50 0 EDAALO CC[N@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)CC(=O)N(C)C ZINC000070039276 441107042 /nfs/dbraw/zinc/10/70/42/441107042.db2.gz ARLOUKNFXOYNQL-UHFFFAOYSA-N 1 2 334.420 1.362 50 0 EDAALO CC[N@@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)CC(=O)N(C)C ZINC000070039276 441107044 /nfs/dbraw/zinc/10/70/44/441107044.db2.gz ARLOUKNFXOYNQL-UHFFFAOYSA-N 1 2 334.420 1.362 50 0 EDAALO CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000069948419 441094628 /nfs/dbraw/zinc/09/46/28/441094628.db2.gz KWSSYVIFJPAQQQ-AWEZNQCLSA-N 1 2 333.413 1.764 50 0 EDAALO COCCN1CC[NH+](C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000069951170 441095724 /nfs/dbraw/zinc/09/57/24/441095724.db2.gz DKUWTSUUOUYHJY-HNNXBMFYSA-N 1 2 348.365 1.883 50 0 EDAALO CC[C@H](O)C[NH+]1CCN(C(=O)c2cnc(-c3ccco3)s2)CC1 ZINC000069951557 441095789 /nfs/dbraw/zinc/09/57/89/441095789.db2.gz OBWXMJPETCOOIH-LBPRGKRZSA-N 1 2 335.429 1.932 50 0 EDAALO COc1ccnc(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000012620918 441137795 /nfs/dbraw/zinc/13/77/95/441137795.db2.gz KXYKUFRZTXUEAZ-GASCZTMLSA-N 1 2 347.463 1.112 50 0 EDAALO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc2c(c1)OCC(=O)N2 ZINC000012669861 441138653 /nfs/dbraw/zinc/13/86/53/441138653.db2.gz PPFWQZXBYRPSGF-UHFFFAOYSA-N 1 2 336.351 1.638 50 0 EDAALO CSCc1nc2ccccc2n1CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000058281162 441170202 /nfs/dbraw/zinc/17/02/02/441170202.db2.gz KULGVLGXGDXXPQ-CYBMUJFWSA-N 1 2 348.472 1.346 50 0 EDAALO CSCc1nc2ccccc2n1CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000058281162 441170206 /nfs/dbraw/zinc/17/02/06/441170206.db2.gz KULGVLGXGDXXPQ-CYBMUJFWSA-N 1 2 348.472 1.346 50 0 EDAALO COCCn1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000058391532 441187987 /nfs/dbraw/zinc/18/79/87/441187987.db2.gz VAZFGGTZEBTKRJ-FMKPAKJESA-N 1 2 338.452 1.602 50 0 EDAALO Cc1nnc(NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)s1 ZINC000071897537 441189275 /nfs/dbraw/zinc/18/92/75/441189275.db2.gz KBGNSIPZPXXYJD-CQSZACIVSA-N 1 2 347.444 1.730 50 0 EDAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(Cc2cccs2)CC1 ZINC000047029142 441149517 /nfs/dbraw/zinc/14/95/17/441149517.db2.gz HRMVIOULCBLMCC-AWEZNQCLSA-N 1 2 333.461 1.861 50 0 EDAALO COC(=O)[C@H](CC(N)=O)n1ccnc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC000071753028 441152111 /nfs/dbraw/zinc/15/21/11/441152111.db2.gz JKKOXGOUSNNYIF-AWEZNQCLSA-N 1 2 339.355 1.325 50 0 EDAALO C[C@H](C(=O)N1CCC[C@H](O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000071897834 441189580 /nfs/dbraw/zinc/18/95/80/441189580.db2.gz IDRXRLNFZQYVSJ-PBHICJAKSA-N 1 2 335.423 1.320 50 0 EDAALO Cc1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)ccc1F ZINC000071803280 441156772 /nfs/dbraw/zinc/15/67/72/441156772.db2.gz SZWUYZZPMDDOHB-UHFFFAOYSA-N 1 2 347.434 1.904 50 0 EDAALO Cc1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)ccc1F ZINC000071803280 441156775 /nfs/dbraw/zinc/15/67/75/441156775.db2.gz SZWUYZZPMDDOHB-UHFFFAOYSA-N 1 2 347.434 1.904 50 0 EDAALO OCCOCCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000071907447 441191822 /nfs/dbraw/zinc/19/18/22/441191822.db2.gz GLXDSFHRNOTUAJ-UHFFFAOYSA-N 1 2 332.366 1.832 50 0 EDAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)Cn1cncn1 ZINC000014972943 441191982 /nfs/dbraw/zinc/19/19/82/441191982.db2.gz OUSYJSWAZPZKPE-UHFFFAOYSA-N 1 2 336.399 1.626 50 0 EDAALO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1 ZINC000015298865 441199224 /nfs/dbraw/zinc/19/92/24/441199224.db2.gz SGDHCIXUCRZEKR-CQSZACIVSA-N 1 2 344.864 1.465 50 0 EDAALO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1 ZINC000015298865 441199229 /nfs/dbraw/zinc/19/92/29/441199229.db2.gz 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LXXSSTQFPZLVFT-GFCCVEGCSA-N 1 2 349.456 1.571 50 0 EDAALO Cc1cccc(N2CC[NH+]([C@@H](C)c3nc(N)nc(N(C)C)n3)CC2)c1 ZINC000012608567 441137312 /nfs/dbraw/zinc/13/73/12/441137312.db2.gz KLAMZICSTZOCSL-AWEZNQCLSA-N 1 2 341.463 1.711 50 0 EDAALO O=C(c1ccccn1)N1CCC[N@@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097945178 441147828 /nfs/dbraw/zinc/14/78/28/441147828.db2.gz MTWXSSKKKFKIEB-QGZVFWFLSA-N 1 2 342.443 1.240 50 0 EDAALO O=C(c1ccccn1)N1CCC[N@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097945178 441147830 /nfs/dbraw/zinc/14/78/30/441147830.db2.gz MTWXSSKKKFKIEB-QGZVFWFLSA-N 1 2 342.443 1.240 50 0 EDAALO NC(=O)C[N@@H+]1CCCN(C(=O)Nc2nc(-c3ccc[nH]3)cs2)CC1 ZINC000071831279 441164004 /nfs/dbraw/zinc/16/40/04/441164004.db2.gz SOABNMMPKKCYIW-UHFFFAOYSA-N 1 2 348.432 1.163 50 0 EDAALO NC(=O)C[N@H+]1CCCN(C(=O)Nc2nc(-c3ccc[nH]3)cs2)CC1 ZINC000071831279 441164006 /nfs/dbraw/zinc/16/40/06/441164006.db2.gz SOABNMMPKKCYIW-UHFFFAOYSA-N 1 2 348.432 1.163 50 0 EDAALO CN(CCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1)CC(F)(F)F ZINC000058274626 441169269 /nfs/dbraw/zinc/16/92/69/441169269.db2.gz ZTWHCQKMIBTSPO-UHFFFAOYSA-N 1 2 341.337 1.881 50 0 EDAALO Cc1nc(CN2CCC[C@H]([N@H+](C)Cc3nnc(C4CC4)o3)C2)no1 ZINC000071870541 441176814 /nfs/dbraw/zinc/17/68/14/441176814.db2.gz YHQPTNBPGNJAHA-ZDUSSCGKSA-N 1 2 332.408 1.735 50 0 EDAALO Cc1nc(CN2CCC[C@H]([N@@H+](C)Cc3nnc(C4CC4)o3)C2)no1 ZINC000071870541 441176817 /nfs/dbraw/zinc/17/68/17/441176817.db2.gz YHQPTNBPGNJAHA-ZDUSSCGKSA-N 1 2 332.408 1.735 50 0 EDAALO CC(C)c1ncc(Cl)c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000071871415 441177931 /nfs/dbraw/zinc/17/79/31/441177931.db2.gz IOSWUALXDIIIQJ-LLVKDONJSA-N 1 2 326.828 1.392 50 0 EDAALO CCOC[C@H](O)C[NH+]1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000071881909 441182499 /nfs/dbraw/zinc/18/24/99/441182499.db2.gz XSBMQNKRRBKCNY-OAHLLOKOSA-N 1 2 328.359 1.120 50 0 EDAALO Cc1cccn2cc(CNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)[nH+]c12 ZINC000071893398 441187153 /nfs/dbraw/zinc/18/71/53/441187153.db2.gz BNVRTPBFJPHGMZ-SUMWQHHRSA-N 1 2 344.440 1.713 50 0 EDAALO C[C@H](C(=O)NCC(=O)Nc1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000071893696 441187479 /nfs/dbraw/zinc/18/74/79/441187479.db2.gz XWNRQCQNTYUNJB-CQSZACIVSA-N 1 2 338.411 1.583 50 0 EDAALO C[C@H](C(=O)NCC(=O)Nc1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000071893696 441187483 /nfs/dbraw/zinc/18/74/83/441187483.db2.gz XWNRQCQNTYUNJB-CQSZACIVSA-N 1 2 338.411 1.583 50 0 EDAALO COCCn1ccc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000058391530 441188375 /nfs/dbraw/zinc/18/83/75/441188375.db2.gz VAZFGGTZEBTKRJ-LZWOXQAQSA-N 1 2 338.452 1.602 50 0 EDAALO COCCn1ccc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000058391530 441188379 /nfs/dbraw/zinc/18/83/79/441188379.db2.gz VAZFGGTZEBTKRJ-LZWOXQAQSA-N 1 2 338.452 1.602 50 0 EDAALO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000012992625 441150929 /nfs/dbraw/zinc/15/09/29/441150929.db2.gz HXOITYCSTIDJJO-SMDDNHRTSA-N 1 2 328.409 1.122 50 0 EDAALO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000012992625 441150931 /nfs/dbraw/zinc/15/09/31/441150931.db2.gz HXOITYCSTIDJJO-SMDDNHRTSA-N 1 2 328.409 1.122 50 0 EDAALO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000058156330 441153636 /nfs/dbraw/zinc/15/36/36/441153636.db2.gz YXDZFRAFXOYAAG-HNNXBMFYSA-N 1 2 329.400 1.639 50 0 EDAALO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000058156330 441153640 /nfs/dbraw/zinc/15/36/40/441153640.db2.gz YXDZFRAFXOYAAG-HNNXBMFYSA-N 1 2 329.400 1.639 50 0 EDAALO COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)cc1 ZINC000071804320 441157657 /nfs/dbraw/zinc/15/76/57/441157657.db2.gz GPYMTDNQRYEPFA-SFHVURJKSA-N 1 2 345.443 1.350 50 0 EDAALO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)NCCOc1ccccc1 ZINC000058227088 441162251 /nfs/dbraw/zinc/16/22/51/441162251.db2.gz ZDRDRDVZAUTHQY-UHFFFAOYSA-N 1 2 328.416 1.784 50 0 EDAALO CCOc1nnc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)s1 ZINC000071828154 441162814 /nfs/dbraw/zinc/16/28/14/441162814.db2.gz RJIBBQDNHVCGAD-UHFFFAOYSA-N 1 2 334.449 1.854 50 0 EDAALO CN(C)c1cc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc[nH+]1 ZINC000047571139 441205178 /nfs/dbraw/zinc/20/51/78/441205178.db2.gz UPYQXGAASCTKDV-AWEZNQCLSA-N 1 2 342.399 1.406 50 0 EDAALO O=C([C@H]1CCCO1)N1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000016379159 441220914 /nfs/dbraw/zinc/22/09/14/441220914.db2.gz FFBNWGMSVGIZQV-GOSISDBHSA-N 1 2 340.427 1.696 50 0 EDAALO CN1c2ccccc2[C@@]2(NC(=N)NC(Nc3ccc(F)cc3)=[NH+]2)C1=O ZINC000019325468 441256520 /nfs/dbraw/zinc/25/65/20/441256520.db2.gz AILFPFUUZUWXAM-KRWDZBQOSA-N 1 2 338.346 1.341 50 0 EDAALO Cc1cccc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)n1 ZINC000048232296 441275637 /nfs/dbraw/zinc/27/56/37/441275637.db2.gz YKCRKMYFYAXLIX-CQSZACIVSA-N 1 2 326.400 1.940 50 0 EDAALO Cn1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000081478054 441275891 /nfs/dbraw/zinc/27/58/91/441275891.db2.gz BWHCIGXMRXOZHO-GOSISDBHSA-N 1 2 342.443 1.898 50 0 EDAALO Cc1cc(C)n(CCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000022321557 441279637 /nfs/dbraw/zinc/27/96/37/441279637.db2.gz UWPMYASDIJVYJW-UHFFFAOYSA-N 1 2 343.431 1.438 50 0 EDAALO CN(C)c1[nH+]cccc1CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000048276279 441283928 /nfs/dbraw/zinc/28/39/28/441283928.db2.gz GKKVUVHNIXEBQH-OAHLLOKOSA-N 1 2 341.415 1.043 50 0 EDAALO Cc1cc(NC(=O)CC[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)no1 ZINC000048288994 441286539 /nfs/dbraw/zinc/28/65/39/441286539.db2.gz NOTBKTUIPJLCCP-AWEZNQCLSA-N 1 2 328.372 1.224 50 0 EDAALO Cc1cc(NC(=O)CC[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)no1 ZINC000048288994 441286543 /nfs/dbraw/zinc/28/65/43/441286543.db2.gz NOTBKTUIPJLCCP-AWEZNQCLSA-N 1 2 328.372 1.224 50 0 EDAALO C[C@@H]1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@@H](C)O1 ZINC000106065689 441325493 /nfs/dbraw/zinc/32/54/93/441325493.db2.gz OYCBALYILMTRKI-FMKPAKJESA-N 1 2 343.493 1.013 50 0 EDAALO CC(C)c1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n(C)n1 ZINC000082120519 441334566 /nfs/dbraw/zinc/33/45/66/441334566.db2.gz YIPBZQGTBYOFAK-HNNXBMFYSA-N 1 2 334.464 1.870 50 0 EDAALO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCC[C@@H]3CCCC[C@H]31)CC2 ZINC000106919658 441390542 /nfs/dbraw/zinc/39/05/42/441390542.db2.gz FELQQQQFYKAGER-WMLDXEAASA-N 1 2 344.459 1.320 50 0 EDAALO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCC[C@@H]3CCCC[C@H]31)CC2 ZINC000106919658 441390548 /nfs/dbraw/zinc/39/05/48/441390548.db2.gz FELQQQQFYKAGER-WMLDXEAASA-N 1 2 344.459 1.320 50 0 EDAALO COCCn1ccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000106518949 441349480 /nfs/dbraw/zinc/34/94/80/441349480.db2.gz VAZFGGTZEBTKRJ-IJEWVQPXSA-N 1 2 338.452 1.602 50 0 EDAALO COCCn1ccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000106518949 441349483 /nfs/dbraw/zinc/34/94/83/441349483.db2.gz VAZFGGTZEBTKRJ-IJEWVQPXSA-N 1 2 338.452 1.602 50 0 EDAALO Cc1csc(N2CC[N@@H+]([C@H](C)C(=O)Nc3ncccn3)C[C@H]2C)n1 ZINC000106775761 441369470 /nfs/dbraw/zinc/36/94/70/441369470.db2.gz FBOUGAWCTIDFMJ-CHWSQXEVSA-N 1 2 346.460 1.779 50 0 EDAALO Cc1csc(N2CC[N@H+]([C@H](C)C(=O)Nc3ncccn3)C[C@H]2C)n1 ZINC000106775761 441369473 /nfs/dbraw/zinc/36/94/73/441369473.db2.gz FBOUGAWCTIDFMJ-CHWSQXEVSA-N 1 2 346.460 1.779 50 0 EDAALO CC(C)[C@@H](NC(=O)C1CCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000065212983 441407384 /nfs/dbraw/zinc/40/73/84/441407384.db2.gz MCPUUVVRPTVSJV-QGZVFWFLSA-N 1 2 344.459 1.671 50 0 EDAALO CC[C@@H]1CN(C(=O)c2c(C)nsc2NC)C[C@@H]1[NH+]1CCOCC1 ZINC000084735982 441417093 /nfs/dbraw/zinc/41/70/93/441417093.db2.gz UASSTZJVCVTGDY-OLZOCXBDSA-N 1 2 338.477 1.676 50 0 EDAALO CC[C@H]1CN(C(=O)c2csc(COC)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000084736147 441417413 /nfs/dbraw/zinc/41/74/13/441417413.db2.gz HEJGOYIJHPQXHX-JSGCOSHPSA-N 1 2 339.461 1.472 50 0 EDAALO Cc1cc(C)n([C@@H]2CCN(C(=O)c3cc4n(n3)CCC[N@@H+](C)C4)C2)n1 ZINC000065385827 441421664 /nfs/dbraw/zinc/42/16/64/441421664.db2.gz UGJKWAYLOWDAEU-OAHLLOKOSA-N 1 2 342.447 1.619 50 0 EDAALO Cc1cc(C)n([C@@H]2CCN(C(=O)c3cc4n(n3)CCC[N@H+](C)C4)C2)n1 ZINC000065385827 441421666 /nfs/dbraw/zinc/42/16/66/441421666.db2.gz UGJKWAYLOWDAEU-OAHLLOKOSA-N 1 2 342.447 1.619 50 0 EDAALO O=c1[nH]c(C[NH+]2CCC3(CC2)OCCO3)nc2cc(Cl)ccc12 ZINC000028077469 441426180 /nfs/dbraw/zinc/42/61/80/441426180.db2.gz BEXXCLUYHSACQO-UHFFFAOYSA-N 1 2 335.791 1.915 50 0 EDAALO CC(C)c1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)C)nc2ncnn21 ZINC000065459602 441438413 /nfs/dbraw/zinc/43/84/13/441438413.db2.gz XIOKFQIAWWMMDL-AWEZNQCLSA-N 1 2 341.419 1.899 50 0 EDAALO C[N@@H+]1CCc2ncnc(N3CCN(Cc4cscn4)CC3)c2C1 ZINC000065475878 441442879 /nfs/dbraw/zinc/44/28/79/441442879.db2.gz BBPZCNJDZLIJNT-UHFFFAOYSA-N 1 2 330.461 1.243 50 0 EDAALO C[N@H+]1CCc2ncnc(N3CCN(Cc4cscn4)CC3)c2C1 ZINC000065475878 441442881 /nfs/dbraw/zinc/44/28/81/441442881.db2.gz BBPZCNJDZLIJNT-UHFFFAOYSA-N 1 2 330.461 1.243 50 0 EDAALO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000074534281 441443902 /nfs/dbraw/zinc/44/39/02/441443902.db2.gz FDTGZQOCELOMSM-WBVHZDCISA-N 1 2 328.416 1.997 50 0 EDAALO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cc(C)on2)cc1 ZINC000029729395 441471207 /nfs/dbraw/zinc/47/12/07/441471207.db2.gz UJRPWFITPGYPPR-INIZCTEOSA-N 1 2 333.388 1.813 50 0 EDAALO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cc(C)on2)cc1 ZINC000029729395 441471212 /nfs/dbraw/zinc/47/12/12/441471212.db2.gz UJRPWFITPGYPPR-INIZCTEOSA-N 1 2 333.388 1.813 50 0 EDAALO C[C@H](Cn1cccn1)Nc1[nH+]cnc2c1c(Br)nn2C ZINC000065624352 441473053 /nfs/dbraw/zinc/47/30/53/441473053.db2.gz WSEXTKRAJPJCSC-MRVPVSSYSA-N 1 2 336.197 1.823 50 0 EDAALO C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)[NH+]1CCOCC1 ZINC000029957584 441479715 /nfs/dbraw/zinc/47/97/15/441479715.db2.gz MNYMDWGPOVDYSU-LBPRGKRZSA-N 1 2 349.456 1.571 50 0 in-vitro EDAALO COc1ccc(OC)c([C@H](O)C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000065522666 441451018 /nfs/dbraw/zinc/45/10/18/441451018.db2.gz XAKIVYXKZQJFDE-MRXNPFEDSA-N 1 2 344.415 1.349 50 0 EDAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1nnc2n1CCC2 ZINC000065563104 441460503 /nfs/dbraw/zinc/46/05/03/441460503.db2.gz IKBGVPTZPJPMQK-GFCCVEGCSA-N 1 2 331.424 1.335 50 0 EDAALO CO[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000074758820 441463889 /nfs/dbraw/zinc/46/38/89/441463889.db2.gz JWYHVLMSJVLCTR-IRXDYDNUSA-N 1 2 332.448 1.866 50 0 EDAALO C(c1noc(C2CC2)n1)N1CCC[N@H+](Cc2nnc(C3CC3)o2)CC1 ZINC000075603096 441538369 /nfs/dbraw/zinc/53/83/69/441538369.db2.gz AZHMVUVCTSHGSF-UHFFFAOYSA-N 1 2 344.419 1.915 50 0 EDAALO C(c1noc(C2CC2)n1)N1CCC[N@@H+](Cc2nnc(C3CC3)o2)CC1 ZINC000075603096 441538374 /nfs/dbraw/zinc/53/83/74/441538374.db2.gz AZHMVUVCTSHGSF-UHFFFAOYSA-N 1 2 344.419 1.915 50 0 EDAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1 ZINC000032277183 441549788 /nfs/dbraw/zinc/54/97/88/441549788.db2.gz ZRTJWAIRYAYCAN-SWLSCSKDSA-N 1 2 346.818 1.757 50 0 EDAALO Cn1cc(C[N@H+](C)CC(=O)N2CCN(c3ccccc3)CC2)cn1 ZINC000032539817 441560714 /nfs/dbraw/zinc/56/07/14/441560714.db2.gz FJYOSHNPWVNFKQ-UHFFFAOYSA-N 1 2 327.432 1.201 50 0 EDAALO C[C@@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)NC(C)(C)C ZINC000089448490 441552142 /nfs/dbraw/zinc/55/21/42/441552142.db2.gz JGVJWQFTGCSQOD-ZJUUUORDSA-N 1 2 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442480402 /nfs/dbraw/zinc/48/04/02/442480402.db2.gz ANJYFKCEORWFHU-UHFFFAOYSA-N 1 2 343.435 1.361 50 0 EDAALO COC[C@@H](C)n1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000189836945 443018123 /nfs/dbraw/zinc/01/81/23/443018123.db2.gz FGXUPDDTZPQPPV-ZIAGYGMSSA-N 1 2 332.408 1.984 50 0 EDAALO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cccc(COCC3CC3)c2)C1 ZINC000195530569 443029379 /nfs/dbraw/zinc/02/93/79/443029379.db2.gz RBODARUCRFBEGP-SFHVURJKSA-N 1 2 346.475 1.981 50 0 EDAALO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cccc(COCC3CC3)c2)C1 ZINC000195530569 443029384 /nfs/dbraw/zinc/02/93/84/443029384.db2.gz RBODARUCRFBEGP-SFHVURJKSA-N 1 2 346.475 1.981 50 0 EDAALO C[C@H](O)C(=O)[C@H](O)C(=C[NH2+]Nc1ccccc1)NNc1ccccc1 ZINC000252619951 443045271 /nfs/dbraw/zinc/04/52/71/443045271.db2.gz LUUVKBNRGZNGPZ-MORSLUCNSA-N 1 2 342.399 1.655 50 0 EDAALO Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N(C)CCCc2[nH+]ccn2C)n1 ZINC000223273746 443087153 /nfs/dbraw/zinc/08/71/53/443087153.db2.gz ZUUNJLZEKJNPOR-GFCCVEGCSA-N 1 2 349.460 1.384 50 0 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C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccnc1OCC(F)(F)F ZINC000044943392 440918932 /nfs/dbraw/zinc/91/89/32/440918932.db2.gz YUOLORJEMPENBY-NSHDSACASA-N 1 2 347.337 1.473 50 0 EDAALO O=C(CN1CCOc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000003061052 440888129 /nfs/dbraw/zinc/88/81/29/440888129.db2.gz WBUPIXPJWYCFJR-UHFFFAOYSA-N 1 2 338.411 1.629 50 0 EDAALO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CCC[C@H](O)C2)c(C)c1 ZINC000044867484 440894124 /nfs/dbraw/zinc/89/41/24/440894124.db2.gz TWIZFLYMSDRJHB-HNNXBMFYSA-N 1 2 333.432 1.123 50 0 EDAALO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CCC[C@H](O)C2)c(C)c1 ZINC000044867484 440894129 /nfs/dbraw/zinc/89/41/29/440894129.db2.gz TWIZFLYMSDRJHB-HNNXBMFYSA-N 1 2 333.432 1.123 50 0 EDAALO O=c1cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)nc2sccn21 ZINC000003319825 440897127 /nfs/dbraw/zinc/89/71/27/440897127.db2.gz SRKUCNHATWGQBW-UHFFFAOYSA-N 1 2 342.424 1.784 50 0 EDAALO Cn1cc[nH+]c1[C@H](NC(=O)Cn1ccccc1=O)c1cccc(F)c1 ZINC000044890261 440898689 /nfs/dbraw/zinc/89/86/89/440898689.db2.gz NEOKXVAMGWTBBZ-QGZVFWFLSA-N 1 2 340.358 1.627 50 0 EDAALO C[NH+](C)[C@H](CNS(=O)(=O)N1CCOCC1)c1ccccc1Cl ZINC000044896194 440903175 /nfs/dbraw/zinc/90/31/75/440903175.db2.gz OYAMQISZSZMOHG-CQSZACIVSA-N 1 2 347.868 1.109 50 0 EDAALO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)n3cncn3)CC2)cc1 ZINC000044908911 440907958 /nfs/dbraw/zinc/90/79/58/440907958.db2.gz PQJTURDWCPHMDF-OAHLLOKOSA-N 1 2 343.431 1.582 50 0 EDAALO Cc1cc(N)nc(SCCS(=O)(=O)Oc2ccccc2)[nH+]1 ZINC000045103403 440950790 /nfs/dbraw/zinc/95/07/90/440950790.db2.gz QXCGSKDPHHPGIH-UHFFFAOYSA-N 1 2 325.415 1.868 50 0 EDAALO COc1ccc(CN2CCN(C(=O)[C@H](C)n3cc[nH+]c3)CC2)cc1F ZINC000045875344 441053647 /nfs/dbraw/zinc/05/36/47/441053647.db2.gz HAHXWIHUZXJLHG-AWEZNQCLSA-N 1 2 346.406 1.936 50 0 EDAALO CC[N@H+](CC(=O)O[C@@H](C)C(=O)NC(N)=O)Cc1ccc(Cl)cc1 ZINC000069974899 441099364 /nfs/dbraw/zinc/09/93/64/441099364.db2.gz DEIGOFSHCFXNRP-JTQLQIEISA-N 1 2 341.795 1.289 50 0 EDAALO CC[N@@H+](CC(=O)O[C@@H](C)C(=O)NC(N)=O)Cc1ccc(Cl)cc1 ZINC000069974899 441099368 /nfs/dbraw/zinc/09/93/68/441099368.db2.gz DEIGOFSHCFXNRP-JTQLQIEISA-N 1 2 341.795 1.289 50 0 EDAALO CC(C)C[N@H+](CC(N)=O)CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000046513010 441112464 /nfs/dbraw/zinc/11/24/64/441112464.db2.gz XAIUMLSQLFHXDD-NWDGAFQWSA-N 1 2 337.386 1.667 50 0 EDAALO CC(C)C[N@@H+](CC(N)=O)CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000046513010 441112468 /nfs/dbraw/zinc/11/24/68/441112468.db2.gz XAIUMLSQLFHXDD-NWDGAFQWSA-N 1 2 337.386 1.667 50 0 EDAALO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000057553077 441121490 /nfs/dbraw/zinc/12/14/90/441121490.db2.gz KHVMNDYWIIJYAU-NSHDSACASA-N 1 2 344.383 1.649 50 0 EDAALO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000057553077 441121493 /nfs/dbraw/zinc/12/14/93/441121493.db2.gz KHVMNDYWIIJYAU-NSHDSACASA-N 1 2 344.383 1.649 50 0 EDAALO Cc1ccc(N2C[C@@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)c(F)c1 ZINC000046115999 441083547 /nfs/dbraw/zinc/08/35/47/441083547.db2.gz AMNDWDNLBKIPAV-AWEZNQCLSA-N 1 2 344.390 1.890 50 0 EDAALO CO[C@@H](C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000069946813 441094112 /nfs/dbraw/zinc/09/41/12/441094112.db2.gz AHUHAGBMXQOGBO-GOSISDBHSA-N 1 2 342.443 1.842 50 0 EDAALO NC(=O)CC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000046939071 441138162 /nfs/dbraw/zinc/13/81/62/441138162.db2.gz BJAHZEQKQJYHJA-UHFFFAOYSA-N 1 2 345.447 1.347 50 0 EDAALO C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2F)CC1)c1nncn1C ZINC000046964375 441142195 /nfs/dbraw/zinc/14/21/95/441142195.db2.gz BGXYDIBCBNMXAT-ZDUSSCGKSA-N 1 2 346.410 1.543 50 0 EDAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000046952891 441140567 /nfs/dbraw/zinc/14/05/67/441140567.db2.gz VQODDMOADSXEEY-NWDGAFQWSA-N 1 2 333.358 1.455 50 0 EDAALO Cn1nccc1C1CC[NH+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000058296453 441174599 /nfs/dbraw/zinc/17/45/99/441174599.db2.gz ILGKXEXATBKCPG-UHFFFAOYSA-N 1 2 337.431 1.835 50 0 EDAALO C[C@H](O)CN1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000071877123 441179669 /nfs/dbraw/zinc/17/96/69/441179669.db2.gz GWQMHFLCZNRLBO-SWLSCSKDSA-N 1 2 343.265 1.481 50 0 EDAALO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000071876497 441179712 /nfs/dbraw/zinc/17/97/12/441179712.db2.gz ABMZJDBZRDJLSM-WBVHZDCISA-N 1 2 343.431 1.026 50 0 EDAALO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000071876497 441179714 /nfs/dbraw/zinc/17/97/14/441179714.db2.gz ABMZJDBZRDJLSM-WBVHZDCISA-N 1 2 343.431 1.026 50 0 EDAALO CCOC[C@H](O)C[NH+]1CCN(C(=O)c2cc(C)c(CC)s2)CC1 ZINC000071881864 441183270 /nfs/dbraw/zinc/18/32/70/441183270.db2.gz OONJBLYNJODSQB-CQSZACIVSA-N 1 2 340.489 1.774 50 0 EDAALO Cc1cccn2cc(COC(=O)CN3C(=O)c4ccccc4C3=O)[nH+]c12 ZINC000014674735 441187139 /nfs/dbraw/zinc/18/71/39/441187139.db2.gz VBPYJBIFERIJGT-UHFFFAOYSA-N 1 2 349.346 1.982 50 0 EDAALO COCCn1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000058391531 441187982 /nfs/dbraw/zinc/18/79/82/441187982.db2.gz VAZFGGTZEBTKRJ-DZKIICNBSA-N 1 2 338.452 1.602 50 0 EDAALO C[C@@H](CN(C)C(=O)c1cnc(-c2ccccc2)nc1)[NH+]1CCOCC1 ZINC000071748725 441150846 /nfs/dbraw/zinc/15/08/46/441150846.db2.gz KHOZCFDELXECPO-HNNXBMFYSA-N 1 2 340.427 1.936 50 0 EDAALO CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2)N2NC(CCCO)=[NH+]C2=N1 ZINC000013121896 441154278 /nfs/dbraw/zinc/15/42/78/441154278.db2.gz UEYYGIJFLNZPOT-CQSZACIVSA-N 1 2 347.806 1.501 50 0 EDAALO O=C(NCc1cccnc1-n1cncn1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000047122090 441157417 /nfs/dbraw/zinc/15/74/17/441157417.db2.gz DRGZQKCLWJBOQH-UHFFFAOYSA-N 1 2 346.354 1.173 50 0 EDAALO CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C(N)=O)C3)c[nH+]2)CC1 ZINC000071804981 441157953 /nfs/dbraw/zinc/15/79/53/441157953.db2.gz YETWYIIKKHJXMA-HNNXBMFYSA-N 1 2 345.447 1.335 50 0 EDAALO Cc1nn(C)cc1S(=O)(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000017072445 441236960 /nfs/dbraw/zinc/23/69/60/441236960.db2.gz OHTQTTNZOFLHRZ-UHFFFAOYSA-N 1 2 348.472 1.543 50 0 EDAALO Fc1ccc([C@@H](CNc2ncnc3nc[nH]c32)[NH+]2CCOCC2)cc1 ZINC000047509251 441198109 /nfs/dbraw/zinc/19/81/09/441198109.db2.gz NKIKPSJSKQJYDN-CQSZACIVSA-N 1 2 342.378 1.977 50 0 EDAALO O=C(NCCCn1cc[nH+]c1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000047597927 441208098 /nfs/dbraw/zinc/20/80/98/441208098.db2.gz CETCNOUDDAAJMG-CQSZACIVSA-N 1 2 348.428 1.491 50 0 EDAALO COC(=O)/C(C)=C/C[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000072309113 441228907 /nfs/dbraw/zinc/22/89/07/441228907.db2.gz FVHAKDWLMYWZHQ-CXUHLZMHSA-N 1 2 345.443 1.975 50 0 EDAALO CC(C)(CNC(=O)Nc1cccnc1-n1cccn1)[NH+]1CCOCC1 ZINC000048196490 441270604 /nfs/dbraw/zinc/27/06/04/441270604.db2.gz QBOIKZQPSZCNJC-UHFFFAOYSA-N 1 2 344.419 1.500 50 0 EDAALO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000023462115 441295730 /nfs/dbraw/zinc/29/57/30/441295730.db2.gz NYKOFGDOHLLFPP-UHFFFAOYSA-N 1 2 340.362 1.465 50 0 EDAALO COc1ccccc1[C@@H](NC(=O)c1cnn(C)c1)c1[nH+]ccn1C ZINC000048301004 441290021 /nfs/dbraw/zinc/29/00/21/441290021.db2.gz FQVLCPSJWLYLDX-OAHLLOKOSA-N 1 2 325.372 1.682 50 0 EDAALO CC(C)CC[NH+]1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000048794306 441333373 /nfs/dbraw/zinc/33/33/73/441333373.db2.gz BDWFTHOCEBQSDY-UHFFFAOYSA-N 1 2 338.473 1.894 50 0 EDAALO COc1ccc([C@@H](O)CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)cc1 ZINC000106905899 441386839 /nfs/dbraw/zinc/38/68/39/441386839.db2.gz UISKMZJVVJGRCV-HOCLYGCPSA-N 1 2 344.415 1.592 50 0 EDAALO COc1ccc([C@@H](O)CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)cc1 ZINC000106905899 441386841 /nfs/dbraw/zinc/38/68/41/441386841.db2.gz UISKMZJVVJGRCV-HOCLYGCPSA-N 1 2 344.415 1.592 50 0 EDAALO COCc1nc(C[N@@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)cs1 ZINC000084597412 441409529 /nfs/dbraw/zinc/40/95/29/441409529.db2.gz HRHVLKLSGFLBQW-HNNXBMFYSA-N 1 2 338.433 1.194 50 0 EDAALO COCc1nc(C[N@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)cs1 ZINC000084597412 441409533 /nfs/dbraw/zinc/40/95/33/441409533.db2.gz HRHVLKLSGFLBQW-HNNXBMFYSA-N 1 2 338.433 1.194 50 0 EDAALO COc1cc(C[N@@H+]2CCN3CCN(C)C(=O)[C@H]3C2)c(Cl)cc1O ZINC000065426514 441432201 /nfs/dbraw/zinc/43/22/01/441432201.db2.gz YCPDHAXOZYOREQ-CYBMUJFWSA-N 1 2 339.823 1.012 50 0 EDAALO COc1cc(C[N@H+]2CCN3CCN(C)C(=O)[C@H]3C2)c(Cl)cc1O ZINC000065426514 441432205 /nfs/dbraw/zinc/43/22/05/441432205.db2.gz YCPDHAXOZYOREQ-CYBMUJFWSA-N 1 2 339.823 1.012 50 0 EDAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000065449303 441436220 /nfs/dbraw/zinc/43/62/20/441436220.db2.gz GJALGIHYRFOXEE-HNNXBMFYSA-N 1 2 328.420 1.194 50 0 EDAALO CC1CCN(C(=O)CN2CC[NH+](C[C@@H](O)c3ccco3)CC2)CC1 ZINC000085436880 441441671 /nfs/dbraw/zinc/44/16/71/441441671.db2.gz HMZIVJOWNBNQIY-MRXNPFEDSA-N 1 2 335.448 1.189 50 0 EDAALO O=C(C[NH+]1CC(c2nc(-c3ccsc3)no2)C1)N1CCOCC1 ZINC000085467305 441443671 /nfs/dbraw/zinc/44/36/71/441443671.db2.gz SHHFMNBXJVEUBP-UHFFFAOYSA-N 1 2 334.401 1.056 50 0 EDAALO COc1ccc(CNC(=O)C2([NH+]3CCOCC3)CCCC2)cc1OC ZINC000074167153 441402462 /nfs/dbraw/zinc/40/24/62/441402462.db2.gz SIQAIVPWTLQDAK-UHFFFAOYSA-N 1 2 348.443 1.965 50 0 EDAALO 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CC[C@@](C)(CNC(=O)c1cnn(-c2ccccc2)n1)[NH+]1CCOCC1 ZINC000040089359 276533762 /nfs/dbraw/zinc/53/37/62/276533762.db2.gz MZBQUMLGEDTFNI-SFHVURJKSA-N 1 2 343.431 1.498 50 0 EDAALO Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000192799838 301320630 /nfs/dbraw/zinc/32/06/30/301320630.db2.gz VQYNTIATUWLYRH-RHSMWYFYSA-N 1 2 335.423 1.328 50 0 EDAALO Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1CC[N@H+]1CCO[C@H](C)C1 ZINC000192799838 301320633 /nfs/dbraw/zinc/32/06/33/301320633.db2.gz VQYNTIATUWLYRH-RHSMWYFYSA-N 1 2 335.423 1.328 50 0 EDAALO Cn1ncc2c1nc[nH+]c2SCCCN1C(=O)NC(C)(C)C1=O ZINC000044919366 440911675 /nfs/dbraw/zinc/91/16/75/440911675.db2.gz SAIPJWIWUXUUMP-UHFFFAOYSA-N 1 2 334.405 1.176 50 0 EDAALO Cn1cc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCOCC2)cn1 ZINC000044869918 440895201 /nfs/dbraw/zinc/89/52/01/440895201.db2.gz ZLBNDXIOVQQKFX-VOTSOKGWSA-N 1 2 340.427 1.582 50 0 EDAALO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000044870983 440896698 /nfs/dbraw/zinc/89/66/98/440896698.db2.gz CIOMFUHJDVCMJJ-UHFFFAOYSA-N 1 2 339.395 1.268 50 0 EDAALO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000044895186 440902608 /nfs/dbraw/zinc/90/26/08/440902608.db2.gz RBPUUHSBYULVGM-GFCCVEGCSA-N 1 2 326.828 1.144 50 0 EDAALO Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000044895186 440902612 /nfs/dbraw/zinc/90/26/12/440902612.db2.gz RBPUUHSBYULVGM-GFCCVEGCSA-N 1 2 326.828 1.144 50 0 EDAALO C[C@@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)S(C)(=O)=O ZINC000044953111 440924207 /nfs/dbraw/zinc/92/42/07/440924207.db2.gz BRDGQCLBGBDEOW-LBPRGKRZSA-N 1 2 325.434 1.121 50 0 EDAALO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000044998328 440937129 /nfs/dbraw/zinc/93/71/29/440937129.db2.gz MGBHMMNNZLDWTO-CYBMUJFWSA-N 1 2 330.363 1.582 50 0 EDAALO COc1ccccc1CCNC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000007094638 441035600 /nfs/dbraw/zinc/03/56/00/441035600.db2.gz ZDBXQJKEZSZPRV-UHFFFAOYSA-N 1 2 332.429 1.827 50 0 EDAALO Cc1csc2nc(C[NH+]3CCN(c4nccs4)CC3)cc(=O)n12 ZINC000011412927 441120507 /nfs/dbraw/zinc/12/05/07/441120507.db2.gz XFSGANRTXYECQW-UHFFFAOYSA-N 1 2 347.469 1.843 50 0 EDAALO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000012532145 441134491 /nfs/dbraw/zinc/13/44/91/441134491.db2.gz XTRCYIVYYGOCHL-GASCZTMLSA-N 1 2 333.432 1.571 50 0 EDAALO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000012532145 441134494 /nfs/dbraw/zinc/13/44/94/441134494.db2.gz XTRCYIVYYGOCHL-GASCZTMLSA-N 1 2 333.432 1.571 50 0 EDAALO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NCCc1c[nH+]c[nH]1 ZINC000012663618 441138257 /nfs/dbraw/zinc/13/82/57/441138257.db2.gz VGZFIJMKXBQGLY-UHFFFAOYSA-N 1 2 327.340 1.432 50 0 EDAALO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NCCc1c[nH]c[nH+]1 ZINC000012663618 441138261 /nfs/dbraw/zinc/13/82/61/441138261.db2.gz VGZFIJMKXBQGLY-UHFFFAOYSA-N 1 2 327.340 1.432 50 0 EDAALO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC2(CC1)OCCC[C@H]2O ZINC000097638027 441142692 /nfs/dbraw/zinc/14/26/92/441142692.db2.gz VZNWMMFPXUGBAG-QGZVFWFLSA-N 1 2 343.427 1.877 50 0 EDAALO CN(C)C(=O)N1CCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CC1 ZINC000097619382 441142852 /nfs/dbraw/zinc/14/28/52/441142852.db2.gz DFYXRTYLMHGUNZ-UHFFFAOYSA-N 1 2 327.388 1.516 50 0 EDAALO O=C(c1cnc2ccccn12)N1CC[N@H+](Cc2ccco2)C[C@@H](O)C1 ZINC000097797501 441144797 /nfs/dbraw/zinc/14/47/97/441144797.db2.gz ACSKBPWJCYSTBR-CQSZACIVSA-N 1 2 340.383 1.246 50 0 EDAALO O=C(c1cnc2ccccn12)N1CC[N@@H+](Cc2ccco2)C[C@@H](O)C1 ZINC000097797501 441144799 /nfs/dbraw/zinc/14/47/99/441144799.db2.gz ACSKBPWJCYSTBR-CQSZACIVSA-N 1 2 340.383 1.246 50 0 EDAALO Cc1c([C@@H](C)NC(=O)N2CC[NH+](Cc3ccco3)CC2)cnn1C ZINC000047007123 441147574 /nfs/dbraw/zinc/14/75/74/441147574.db2.gz PWGJTBGECUUKGZ-CYBMUJFWSA-N 1 2 331.420 1.910 50 0 EDAALO Nc1nc(N)nc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1 ZINC000014022931 441169575 /nfs/dbraw/zinc/16/95/75/441169575.db2.gz HJIHBVZTSGDRLP-LBPRGKRZSA-N 1 2 342.403 1.534 50 0 EDAALO Nc1nc(N)nc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1 ZINC000014022931 441169578 /nfs/dbraw/zinc/16/95/78/441169578.db2.gz HJIHBVZTSGDRLP-LBPRGKRZSA-N 1 2 342.403 1.534 50 0 EDAALO CCn1cc[nH+]c1CN1CCN(CC(=O)Nc2nccs2)C[C@@H]1C ZINC000071863871 441173214 /nfs/dbraw/zinc/17/32/14/441173214.db2.gz BZHHKRYRGDSCSG-ZDUSSCGKSA-N 1 2 348.476 1.504 50 0 EDAALO Cc1cnn(C2C[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)C2)c1 ZINC000071876771 441180504 /nfs/dbraw/zinc/18/05/04/441180504.db2.gz QVXVNRKKGCFQSI-UHFFFAOYSA-N 1 2 329.791 1.910 50 0 EDAALO CCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000058378413 441187195 /nfs/dbraw/zinc/18/71/95/441187195.db2.gz FZZSWGCRHPLZPJ-INIZCTEOSA-N 1 2 331.460 1.596 50 0 EDAALO NC(=O)c1ccc(C[NH+]2CCN(C(=O)/C=C\C3CCC3)CC2)cc1 ZINC000098018610 441148625 /nfs/dbraw/zinc/14/86/25/441148625.db2.gz PSVVTOMDMXUYSU-TWGQIWQCSA-N 1 2 327.428 1.786 50 0 EDAALO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000047028442 441149775 /nfs/dbraw/zinc/14/97/75/441149775.db2.gz LCUXQPGGDDVSMX-ZIAGYGMSSA-N 1 2 329.408 1.030 50 0 EDAALO O=C1C[C@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1 ZINC000100637672 441152451 /nfs/dbraw/zinc/15/24/51/441152451.db2.gz JBYAZBOJMWNBCV-LBPRGKRZSA-N 1 2 328.199 1.531 50 0 EDAALO Cc1cccc(NC(=O)C[C@@H]([NH2+]CCCn2cc[nH+]c2)C(=O)[O-])c1 ZINC000016740598 441232100 /nfs/dbraw/zinc/23/21/00/441232100.db2.gz WTANPHCFQYLJGW-OAHLLOKOSA-N 1 2 330.388 1.653 50 0 EDAALO COc1ccccc1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000080826735 441201423 /nfs/dbraw/zinc/20/14/23/441201423.db2.gz VULBKQYANQIOPR-UHFFFAOYSA-N 1 2 340.445 1.181 50 0 EDAALO C[C@H]1CN(CC(=O)NCC[NH+]2CCOCC2)c2ccccc2S1 ZINC000015785888 441210753 /nfs/dbraw/zinc/21/07/53/441210753.db2.gz MWEHMCKDLOQIDU-AWEZNQCLSA-N 1 2 335.473 1.436 50 0 EDAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc3c([nH]c1=O)CCCC3)C2 ZINC000072273578 441215545 /nfs/dbraw/zinc/21/55/45/441215545.db2.gz LZDNFWRNKZTSPC-CYBMUJFWSA-N 1 2 326.400 1.503 50 0 EDAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)CN1C(=O)CCc3ccccc31)C2 ZINC000072275528 441216339 /nfs/dbraw/zinc/21/63/39/441216339.db2.gz OKKMMXCCQJMLQS-HNNXBMFYSA-N 1 2 338.411 1.602 50 0 EDAALO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cccnc1 ZINC000018181332 441248491 /nfs/dbraw/zinc/24/84/91/441248491.db2.gz ABDLXCOHWQLTQT-UHFFFAOYSA-N 1 2 339.399 1.544 50 0 EDAALO C[C@@H](CNC(=O)Nc1cccnc1N1CCCC1)[NH+]1CCOCC1 ZINC000048171652 441268061 /nfs/dbraw/zinc/26/80/61/441268061.db2.gz VILRATDELXTBHB-AWEZNQCLSA-N 1 2 333.436 1.524 50 0 EDAALO COc1ccc(C(=O)N2CC[NH+](CCn3nc(C)cc3C)CC2)cc1 ZINC000062022052 441295625 /nfs/dbraw/zinc/29/56/25/441295625.db2.gz KPRUAOKEWKWJNV-UHFFFAOYSA-N 1 2 342.443 1.967 50 0 EDAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000081552326 441286892 /nfs/dbraw/zinc/28/68/92/441286892.db2.gz HNZJEGURAKRENJ-NSHDSACASA-N 1 2 345.794 1.395 50 0 EDAALO CN1CSC[C@H]1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000082109325 441334279 /nfs/dbraw/zinc/33/42/79/441334279.db2.gz JVPLHIDGMSBLLX-HNNXBMFYSA-N 1 2 339.892 1.989 50 0 EDAALO Cc1nc(C)c(C[N@@H+]2CCO[C@@H](CN(C)c3cccnn3)C2)s1 ZINC000084062447 441382509 /nfs/dbraw/zinc/38/25/09/441382509.db2.gz KJZRVXBKCHLTEZ-AWEZNQCLSA-N 1 2 333.461 1.887 50 0 EDAALO Cc1nc(C)c(C[N@H+]2CCO[C@@H](CN(C)c3cccnn3)C2)s1 ZINC000084062447 441382514 /nfs/dbraw/zinc/38/25/14/441382514.db2.gz KJZRVXBKCHLTEZ-AWEZNQCLSA-N 1 2 333.461 1.887 50 0 EDAALO C[C@@H]1CN(C(=O)[C@H]2Cc3cccc(F)c3O2)C[C@@H]1[NH+]1CCOCC1 ZINC000106918421 441389548 /nfs/dbraw/zinc/38/95/48/441389548.db2.gz SMMBJIHSQQOTIS-UHOFOFEASA-N 1 2 334.391 1.308 50 0 EDAALO CCc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)nc2ccnn21 ZINC000064760621 441391429 /nfs/dbraw/zinc/39/14/29/441391429.db2.gz HJPKVSHNRCIAKI-UHFFFAOYSA-N 1 2 336.399 1.649 50 0 EDAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)N1CCOCC1)OCCO3 ZINC000064795108 441392618 /nfs/dbraw/zinc/39/26/18/441392618.db2.gz GGPWBKPZRZOYFA-UHFFFAOYSA-N 1 2 331.372 1.229 50 0 EDAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1cccnc1 ZINC000065295854 441415745 /nfs/dbraw/zinc/41/57/45/441415745.db2.gz FQWXAKJPBQWZHI-UHFFFAOYSA-N 1 2 339.403 1.384 50 0 EDAALO CC1(C)CN=C(N2CCN(C(=O)CCCn3cc[nH+]c3)CC2)S1 ZINC000085264006 441431549 /nfs/dbraw/zinc/43/15/49/441431549.db2.gz XQOAHXOHPGKVFY-UHFFFAOYSA-N 1 2 335.477 1.689 50 0 EDAALO CCc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)C3CC3)CC2)cc1 ZINC000085467102 441442150 /nfs/dbraw/zinc/44/21/50/441442150.db2.gz UFCUFHMXSAFMKA-KRWDZBQOSA-N 1 2 338.473 1.326 50 0 EDAALO COC(=O)CN1CC[N@H+](Cc2ccnc3ccccc23)[C@@H](C)C1=O ZINC000065488912 441443580 /nfs/dbraw/zinc/44/35/80/441443580.db2.gz WRXGFAZAHSXRQS-ZDUSSCGKSA-N 1 2 327.384 1.441 50 0 EDAALO COC(=O)CN1CC[N@@H+](Cc2ccnc3ccccc23)[C@@H](C)C1=O ZINC000065488912 441443584 /nfs/dbraw/zinc/44/35/84/441443584.db2.gz WRXGFAZAHSXRQS-ZDUSSCGKSA-N 1 2 327.384 1.441 50 0 EDAALO COc1ccc(CCC(=O)N(C)CC[NH+]2CCOCC2)cc1OC ZINC000065496109 441446494 /nfs/dbraw/zinc/44/64/94/441446494.db2.gz BCWYWTUJLHVFEO-UHFFFAOYSA-N 1 2 336.432 1.427 50 0 EDAALO C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000027373059 441401595 /nfs/dbraw/zinc/40/15/95/441401595.db2.gz IGXKNFNOIMNSQV-GFCCVEGCSA-N 1 2 347.492 1.460 50 0 EDAALO CN1CCN(C2CC[NH+](Cc3cn(-c4ccccc4)nn3)CC2)C1=O ZINC000075604298 441539023 /nfs/dbraw/zinc/53/90/23/441539023.db2.gz SBNFJVQMOQUWLC-UHFFFAOYSA-N 1 2 340.431 1.599 50 0 EDAALO Cc1ccc(C)c(C(=O)CCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000089611869 441564915 /nfs/dbraw/zinc/56/49/15/441564915.db2.gz WDDBMDXZCWOMIC-MRXNPFEDSA-N 1 2 348.443 1.076 50 0 EDAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000089621546 441565400 /nfs/dbraw/zinc/56/54/00/441565400.db2.gz YUWSKWVCJYPMGW-OLZOCXBDSA-N 1 2 342.465 1.032 50 0 EDAALO Cc1noc(C)c1C[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000076053979 441587678 /nfs/dbraw/zinc/58/76/78/441587678.db2.gz IJXIYWFMEYNOFO-OGHNNQOOSA-N 1 2 335.448 1.649 50 0 EDAALO COCc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)ccc1F ZINC000076053985 441587844 /nfs/dbraw/zinc/58/78/44/441587844.db2.gz LAFYRAFLSDDWIZ-DYVFJYSZSA-N 1 2 336.407 1.765 50 0 EDAALO Cc1nn(C)c(C)c1CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000054724399 441594079 /nfs/dbraw/zinc/59/40/79/441594079.db2.gz CXTXRZCFNQFNGT-UHFFFAOYSA-N 1 2 327.432 1.319 50 0 EDAALO Cc1noc(Cl)c1CC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000076091471 441595914 /nfs/dbraw/zinc/59/59/14/441595914.db2.gz IWNXKTKCDITGGT-SECBINFHSA-N 1 2 342.852 1.814 50 0 EDAALO COCC[NH+]1[C@H](C)CN(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C ZINC000036075927 441604999 /nfs/dbraw/zinc/60/49/99/441604999.db2.gz LDKKGXAUAHOUGG-HUUCEWRRSA-N 1 2 326.462 1.725 50 0 EDAALO COc1ccc(C[NH+]2CCN(C(=O)CN3CCSC3=O)CC2)cc1 ZINC000038376777 441614669 /nfs/dbraw/zinc/61/46/69/441614669.db2.gz HUNIEYFSDDLQQD-UHFFFAOYSA-N 1 2 349.456 1.508 50 0 EDAALO CN(C)c1cc(CNC(=O)NC[C@H]2COc3ccccc3O2)cc[nH+]1 ZINC000040512807 441625098 /nfs/dbraw/zinc/62/50/98/441625098.db2.gz RTWPHZBNFXFYRE-AWEZNQCLSA-N 1 2 342.399 1.787 50 0 EDAALO CN(C)c1cc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)cc[nH+]1 ZINC000040512586 441625583 /nfs/dbraw/zinc/62/55/83/441625583.db2.gz JCJFVXYBAIOMKR-UHFFFAOYSA-N 1 2 333.413 1.481 50 0 EDAALO C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000040525137 441626042 /nfs/dbraw/zinc/62/60/42/441626042.db2.gz YSWJUFRFRUFYCG-BLLLJJGKSA-N 1 2 327.384 1.992 50 0 EDAALO O[C@H](COc1ccccc1F)C[NH+]1CCN(c2nccs2)CC1 ZINC000055471970 441651256 /nfs/dbraw/zinc/65/12/56/441651256.db2.gz LXYCCZQNSVCEPJ-ZDUSSCGKSA-N 1 2 337.420 1.844 50 0 EDAALO CC[N@H+](Cc1nc(C)no1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067786074 441679584 /nfs/dbraw/zinc/67/95/84/441679584.db2.gz YMUGMGMPVOPLTQ-UHFFFAOYSA-N 1 2 342.355 1.970 50 0 EDAALO CC[N@@H+](Cc1nc(C)no1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067786074 441679590 /nfs/dbraw/zinc/67/95/90/441679590.db2.gz YMUGMGMPVOPLTQ-UHFFFAOYSA-N 1 2 342.355 1.970 50 0 EDAALO Cc1cc2n(n1)CCCN(C(=O)c1cc3n(n1)CCC[N@@H+](C)C3)C2 ZINC000067804658 441680894 /nfs/dbraw/zinc/68/08/94/441680894.db2.gz IBWOMDGGHOVAGF-UHFFFAOYSA-N 1 2 328.420 1.270 50 0 EDAALO Cc1cc2n(n1)CCCN(C(=O)c1cc3n(n1)CCC[N@H+](C)C3)C2 ZINC000067804658 441680896 /nfs/dbraw/zinc/68/08/96/441680896.db2.gz IBWOMDGGHOVAGF-UHFFFAOYSA-N 1 2 328.420 1.270 50 0 EDAALO Cn1cnnc1C[NH+]1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 ZINC000091269852 441690658 /nfs/dbraw/zinc/69/06/58/441690658.db2.gz FFSVTKBLADPVAT-UHFFFAOYSA-N 1 2 331.464 1.962 50 0 EDAALO Cc1nc(N[C@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C(C)C)cc[nH+]1 ZINC000091326748 441695993 /nfs/dbraw/zinc/69/59/93/441695993.db2.gz AFEJQKAWLWGNKW-CVEARBPZSA-N 1 2 347.463 1.012 50 0 EDAALO O=C(c1ncccc1O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000091737132 441732790 /nfs/dbraw/zinc/73/27/90/441732790.db2.gz VBPBORMNTQUUIH-GXTWGEPZSA-N 1 2 344.440 1.980 50 0 EDAALO O=C(c1ncccc1O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000091737132 441732798 /nfs/dbraw/zinc/73/27/98/441732798.db2.gz VBPBORMNTQUUIH-GXTWGEPZSA-N 1 2 344.440 1.980 50 0 EDAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000056677733 441733928 /nfs/dbraw/zinc/73/39/28/441733928.db2.gz KYEPMECUUBGKTO-LLVKDONJSA-N 1 2 344.440 1.887 50 0 EDAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000056677733 441733932 /nfs/dbraw/zinc/73/39/32/441733932.db2.gz KYEPMECUUBGKTO-LLVKDONJSA-N 1 2 344.440 1.887 50 0 EDAALO Cc1cc2[nH]c(CCNC(=O)[C@H]3CCCN(C(N)=O)C3)[nH+]c2cc1C ZINC000091793370 441744507 /nfs/dbraw/zinc/74/45/07/441744507.db2.gz ZRTIRVFSLMIRQJ-ZDUSSCGKSA-N 1 2 343.431 1.629 50 0 EDAALO CSCc1noc(CNC(=O)[C@H](c2ccccc2F)[NH+](C)C)n1 ZINC000091893943 441751341 /nfs/dbraw/zinc/75/13/41/441751341.db2.gz JGHSQPWFNJNKPL-AWEZNQCLSA-N 1 2 338.408 1.991 50 0 EDAALO COCCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091635979 441725063 /nfs/dbraw/zinc/72/50/63/441725063.db2.gz JNGWGQLIJWHKIY-SFHVURJKSA-N 1 2 348.447 1.220 50 0 EDAALO COCCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091635979 441725070 /nfs/dbraw/zinc/72/50/70/441725070.db2.gz JNGWGQLIJWHKIY-SFHVURJKSA-N 1 2 348.447 1.220 50 0 EDAALO C[C@@H]1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@@H](C)O1 ZINC000042344488 441726709 /nfs/dbraw/zinc/72/67/09/441726709.db2.gz OYCBALYILMTRKI-IIAWOOMASA-N 1 2 343.493 1.013 50 0 EDAALO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c(F)cccc1F ZINC000159301995 441801509 /nfs/dbraw/zinc/80/15/09/441801509.db2.gz MNAIAVPXELUFJQ-NSHDSACASA-N 1 2 339.367 1.917 50 0 EDAALO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000068464361 441802601 /nfs/dbraw/zinc/80/26/01/441802601.db2.gz CBLOQDRYHQLICX-AWEZNQCLSA-N 1 2 335.835 1.438 50 0 EDAALO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000068464361 441802606 /nfs/dbraw/zinc/80/26/06/441802606.db2.gz CBLOQDRYHQLICX-AWEZNQCLSA-N 1 2 335.835 1.438 50 0 EDAALO O=C(C[NH+]1CCN(c2cnccn2)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000043507453 441844070 /nfs/dbraw/zinc/84/40/70/441844070.db2.gz VHMGTZCCILHSHM-DLBZAZTESA-N 1 2 343.475 1.780 50 0 EDAALO CCn1cc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000043645847 441852672 /nfs/dbraw/zinc/85/26/72/441852672.db2.gz GYXPPAGNXYSGEH-KRWDZBQOSA-N 1 2 343.431 1.926 50 0 EDAALO CCn1cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000043645847 441852678 /nfs/dbraw/zinc/85/26/78/441852678.db2.gz GYXPPAGNXYSGEH-KRWDZBQOSA-N 1 2 343.431 1.926 50 0 EDAALO CN1C(=O)C[C@H](C(=O)NCCNc2cccc[nH+]2)[C@@H]1c1cccs1 ZINC000095399510 441921706 /nfs/dbraw/zinc/92/17/06/441921706.db2.gz CUSVLZTXHUULDG-BLLLJJGKSA-N 1 2 344.440 1.891 50 0 EDAALO CCc1nn(C)c(CC)c1C[NH+]1CCN(C(=O)N2CCOCC2)CC1 ZINC000095982394 441970249 /nfs/dbraw/zinc/97/02/49/441970249.db2.gz WVHOFUQGFPDZSK-UHFFFAOYSA-N 1 2 349.479 1.115 50 0 EDAALO COc1ccc(CNc2ccc(N3CCNC(=O)C3)[nH+]c2)cc1F ZINC000095986261 441971196 /nfs/dbraw/zinc/97/11/96/441971196.db2.gz TZCYJFCGEOUSPI-UHFFFAOYSA-N 1 2 330.363 1.778 50 0 EDAALO CCn1cc[nH+]c1CN1CCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000069417932 441930694 /nfs/dbraw/zinc/93/06/94/441930694.db2.gz CAXXQPDYJRDVOV-UHFFFAOYSA-N 1 2 342.403 1.864 50 0 EDAALO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000079060821 442014398 /nfs/dbraw/zinc/01/43/98/442014398.db2.gz DZBWGUSFIKVYHF-UHFFFAOYSA-N 1 2 345.380 1.523 50 0 EDAALO Cc1nc([C@@H]2CCCN(c3cc(OC(C)C)[nH+]c(N)n3)C2)cc(=O)[nH]1 ZINC000096133525 442041439 /nfs/dbraw/zinc/04/14/39/442041439.db2.gz IURIWUUIXFQYOW-GFCCVEGCSA-N 1 2 344.419 1.622 50 0 EDAALO Cc1nc([C@@H]2CCCN(c3cc(OC(C)C)nc(N)[nH+]3)C2)cc(=O)[nH]1 ZINC000096133525 442041444 /nfs/dbraw/zinc/04/14/44/442041444.db2.gz IURIWUUIXFQYOW-GFCCVEGCSA-N 1 2 344.419 1.622 50 0 EDAALO CCn1cc(C[N@H+](C)CCOc2cccc(S(C)(=O)=O)c2)cn1 ZINC000096414882 442119754 /nfs/dbraw/zinc/11/97/54/442119754.db2.gz YVCBGUNWRAALGC-UHFFFAOYSA-N 1 2 337.445 1.817 50 0 EDAALO CCn1cc(C[N@@H+](C)CCOc2cccc(S(C)(=O)=O)c2)cn1 ZINC000096414882 442119757 /nfs/dbraw/zinc/11/97/57/442119757.db2.gz YVCBGUNWRAALGC-UHFFFAOYSA-N 1 2 337.445 1.817 50 0 EDAALO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000096426002 442125017 /nfs/dbraw/zinc/12/50/17/442125017.db2.gz OZAGMOSSOCGWII-XJKSGUPXSA-N 1 2 338.835 1.961 50 0 EDAALO Cc1nsc(N2CC[NH+](Cc3cc(=O)n4ccccc4n3)CC2)n1 ZINC000096429152 442127827 /nfs/dbraw/zinc/12/78/27/442127827.db2.gz VWXPMPRGLBDMLH-UHFFFAOYSA-N 1 2 342.428 1.177 50 0 EDAALO CS[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000096436612 442130235 /nfs/dbraw/zinc/13/02/35/442130235.db2.gz KNSDIIXIPJWMOH-HOTGVXAUSA-N 1 2 348.516 1.994 50 0 EDAALO CN1N=C(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CCC1=O ZINC000096459370 442137832 /nfs/dbraw/zinc/13/78/32/442137832.db2.gz CJFHLDPVDAUTBX-UHFFFAOYSA-N 1 2 339.399 1.350 50 0 EDAALO Cc1nc(N2CCN(C(=O)NCc3[nH+]ccn3C)CC2)sc1C ZINC000096484054 442140250 /nfs/dbraw/zinc/14/02/50/442140250.db2.gz JEKMLMAHPPNCTC-UHFFFAOYSA-N 1 2 334.449 1.525 50 0 EDAALO C[C@H](C[S@@](C)=O)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000097143189 442174865 /nfs/dbraw/zinc/17/48/65/442174865.db2.gz PURUXIIKYBLYBC-IFMYKAFSSA-N 1 2 343.518 1.903 50 0 EDAALO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC[S@@](C)=O)CC1 ZINC000097142713 442175008 /nfs/dbraw/zinc/17/50/08/442175008.db2.gz RJZKPAIKXMFYAW-XMHCIUCPSA-N 1 2 343.518 1.905 50 0 EDAALO COc1ncnc2c1C[N@H+](C[C@H](O)COc1c(C)cccc1C)CC2 ZINC000097202041 442185967 /nfs/dbraw/zinc/18/59/67/442185967.db2.gz OMKJQOUPYVNLPE-HNNXBMFYSA-N 1 2 343.427 1.900 50 0 EDAALO COc1ncnc2c1C[N@@H+](C[C@H](O)COc1c(C)cccc1C)CC2 ZINC000097202041 442185969 /nfs/dbraw/zinc/18/59/69/442185969.db2.gz OMKJQOUPYVNLPE-HNNXBMFYSA-N 1 2 343.427 1.900 50 0 EDAALO O=C(NC1CCCCC1)N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000170605219 442235312 /nfs/dbraw/zinc/23/53/12/442235312.db2.gz CFINGDKSYFZFPR-ZDUSSCGKSA-N 1 2 337.386 1.960 50 0 EDAALO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000176994514 442282355 /nfs/dbraw/zinc/28/23/55/442282355.db2.gz HYWKXIWTONXIJA-HZPDHXFCSA-N 1 2 338.473 1.645 50 0 EDAALO O=S1(=O)CCN(C2CC[NH+](Cc3cnn4ccccc34)CC2)CC1 ZINC000191940964 442544344 /nfs/dbraw/zinc/54/43/44/442544344.db2.gz DNHVDVUCXFDRJZ-UHFFFAOYSA-N 1 2 348.472 1.029 50 0 EDAALO C[C@H](C(F)(F)F)S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000182366809 442761091 /nfs/dbraw/zinc/76/10/91/442761091.db2.gz AMXNAJMLMFUXFG-SECBINFHSA-N 1 2 342.408 1.976 50 0 EDAALO C[C@H](C(F)(F)F)S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000182366809 442761093 /nfs/dbraw/zinc/76/10/93/442761093.db2.gz AMXNAJMLMFUXFG-SECBINFHSA-N 1 2 342.408 1.976 50 0 EDAALO O=S(=O)(CCc1cccs1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000195378008 443013540 /nfs/dbraw/zinc/01/35/40/443013540.db2.gz FMLBOAUHTBVMHS-CYBMUJFWSA-N 1 2 330.475 1.073 50 0 EDAALO O=S(=O)(CCc1cccs1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000195378008 443013543 /nfs/dbraw/zinc/01/35/43/443013543.db2.gz FMLBOAUHTBVMHS-CYBMUJFWSA-N 1 2 330.475 1.073 50 0 EDAALO C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1nnnn1C1CC1 ZINC000252483750 443028694 /nfs/dbraw/zinc/02/86/94/443028694.db2.gz FHUQQSYCYONKND-LLVKDONJSA-N 1 2 344.423 1.144 50 0 EDAALO Cn1c(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)nnc1C1CCC1 ZINC000189921093 443029581 /nfs/dbraw/zinc/02/95/81/443029581.db2.gz ZTYWUALJHKFBAL-OAHLLOKOSA-N 1 2 347.463 1.342 50 0 EDAALO Cn1c(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)nnc1C1CCC1 ZINC000189921093 443029584 /nfs/dbraw/zinc/02/95/84/443029584.db2.gz ZTYWUALJHKFBAL-OAHLLOKOSA-N 1 2 347.463 1.342 50 0 EDAALO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1sc(C(C)C)nc1C ZINC000252485654 443029679 /nfs/dbraw/zinc/02/96/79/443029679.db2.gz HBDPSLYBZXXMHD-ZDUSSCGKSA-N 1 2 349.460 1.662 50 0 EDAALO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1sc(C(C)C)nc1C ZINC000252485654 443029683 /nfs/dbraw/zinc/02/96/83/443029683.db2.gz HBDPSLYBZXXMHD-ZDUSSCGKSA-N 1 2 349.460 1.662 50 0 EDAALO Cc1nc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)sc1C(=O)[O-] ZINC000252485459 443029963 /nfs/dbraw/zinc/02/99/63/443029963.db2.gz GWAXLMCSIPQXIS-JTQLQIEISA-N 1 2 349.416 1.691 50 0 EDAALO Cc1nc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)sc1C(=O)[O-] ZINC000252485459 443029969 /nfs/dbraw/zinc/02/99/69/443029969.db2.gz GWAXLMCSIPQXIS-JTQLQIEISA-N 1 2 349.416 1.691 50 0 EDAALO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000252515115 443039201 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333.461 1.513 50 0 EDAALO CC(=O)Nc1nc(C[NH+]2CCC(N3CCN(C)C3=O)CC2)cs1 ZINC000075131403 202374721 /nfs/dbraw/zinc/37/47/21/202374721.db2.gz ZXVLMSLUANXABL-UHFFFAOYSA-N 1 2 337.449 1.433 50 0 EDAALO COCc1nc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cs1 ZINC000076056729 202387812 /nfs/dbraw/zinc/38/78/12/202387812.db2.gz BKOACQSINAOTJO-AAEUAGOBSA-N 1 2 325.434 1.082 50 0 EDAALO Cc1ccc2nc(N3CCC[C@H](O)C3)c(C[NH+]3CC(O)C3)cc2c1 ZINC000072434918 216229202 /nfs/dbraw/zinc/22/92/02/216229202.db2.gz JYCKFEKPLACTHJ-INIZCTEOSA-N 1 2 327.428 1.681 50 0 EDAALO Cc1cc(C[NH2+]Cc2c(C(C)C)nn(C)c2N2CCOCC2)no1 ZINC000065474794 201154496 /nfs/dbraw/zinc/15/44/96/201154496.db2.gz LIUPTLOCPKAJDX-UHFFFAOYSA-N 1 2 333.436 1.966 50 0 EDAALO COc1cc(C(=O)N[C@@H]2CCc3[nH+]ccn3C2)cc2c1OCCO2 ZINC000065463153 201154941 /nfs/dbraw/zinc/15/49/41/201154941.db2.gz YTRURDDMPNVYDF-GFCCVEGCSA-N 1 2 329.356 1.408 50 0 EDAALO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000065537523 201155246 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ZINC000048255441 213903584 /nfs/dbraw/zinc/90/35/84/213903584.db2.gz MSXQPLAJGGMGOS-WFASDCNBSA-N 1 2 332.379 1.984 50 0 EDAALO C[NH+]1CCN(c2ncc3c(n2)C[C@@H](c2ccccc2O)CC3=O)CC1 ZINC000004988716 282971251 /nfs/dbraw/zinc/97/12/51/282971251.db2.gz LDSYPMOQSVSRHU-CYBMUJFWSA-N 1 2 338.411 1.847 50 0 EDAALO CCN(C1CC[NH+](Cc2occc2C(=O)OC)CC1)S(C)(=O)=O ZINC000066883817 215090448 /nfs/dbraw/zinc/09/04/48/215090448.db2.gz VDHBKQIKFZGSPJ-UHFFFAOYSA-N 1 2 344.433 1.312 50 0 EDAALO CCNC(=O)NCC[C@H]1C[N@H+](Cc2ccc3nonc3c2)CCO1 ZINC000067982038 215266446 /nfs/dbraw/zinc/26/64/46/215266446.db2.gz XMNSCLMLPYVIFN-ZDUSSCGKSA-N 1 2 333.392 1.133 50 0 EDAALO CCNC(=O)NCC[C@H]1C[N@@H+](Cc2ccc3nonc3c2)CCO1 ZINC000067982038 215266450 /nfs/dbraw/zinc/26/64/50/215266450.db2.gz XMNSCLMLPYVIFN-ZDUSSCGKSA-N 1 2 333.392 1.133 50 0 EDAALO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000068719062 215329470 /nfs/dbraw/zinc/32/94/70/215329470.db2.gz IEUCGSBRKVBNNX-SNVBAGLBSA-N 1 2 348.325 1.542 50 0 EDAALO O=C(/C=C/c1ccccc1)NCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000069367082 215389328 /nfs/dbraw/zinc/38/93/28/215389328.db2.gz YGMOJRQAVKTIKQ-VOTSOKGWSA-N 1 2 338.411 1.876 50 0 EDAALO CCn1ccnc1CN1CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000069377647 215393761 /nfs/dbraw/zinc/39/37/61/215393761.db2.gz SVFXXOQYUMSKFO-KRWDZBQOSA-N 1 2 347.507 1.812 50 0 EDAALO Cc1noc([C@@H](C)N2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)n1 ZINC000069387114 215397039 /nfs/dbraw/zinc/39/70/39/215397039.db2.gz YXTXLIDDOHHGCL-GFCCVEGCSA-N 1 2 329.404 1.356 50 0 EDAALO C[C@@H](CNC(=O)CCc1nc(-c2ccccc2)no1)[NH+]1CCOCC1 ZINC000040509861 213327321 /nfs/dbraw/zinc/32/73/21/213327321.db2.gz WLMMHRUCJCNPAI-AWEZNQCLSA-N 1 2 344.415 1.506 50 0 EDAALO CN1N=C(C(=O)N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CCC1=O ZINC000585124086 539957201 /nfs/dbraw/zinc/95/72/01/539957201.db2.gz NSKCTWPTBBWEKV-CQSZACIVSA-N 1 2 329.335 1.363 50 0 EDAALO O=S(=O)(c1ccccc1F)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000038292189 213207535 /nfs/dbraw/zinc/20/75/35/213207535.db2.gz JFXHPUIXGBLMHA-AWEZNQCLSA-N 1 2 342.436 1.701 50 0 EDAALO COCC(=O)N1CCN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000070019883 215664192 /nfs/dbraw/zinc/66/41/92/215664192.db2.gz MQUSQKVVFNZHHT-UHFFFAOYSA-N 1 2 342.399 1.112 50 0 EDAALO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCCN1c1nccs1 ZINC000071895995 215934918 /nfs/dbraw/zinc/93/49/18/215934918.db2.gz HDUHISWPOUCTAQ-CYBMUJFWSA-N 1 2 331.445 1.889 50 0 EDAALO CC[C@@H](C)[C@@H](CO)Nc1[nH+]cnc2c1c(Br)nn2C ZINC000071920885 215969032 /nfs/dbraw/zinc/96/90/32/215969032.db2.gz YZIATCNYQFSOQN-HTQZYQBOSA-N 1 2 328.214 1.945 50 0 EDAALO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCC(C)C)cc1 ZINC000072141828 216028082 /nfs/dbraw/zinc/02/80/82/216028082.db2.gz ZUOWJPSWXIYVGT-KRWDZBQOSA-N 1 2 347.459 1.548 50 0 EDAALO CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCC(C)C)cc1 ZINC000072141828 216028084 /nfs/dbraw/zinc/02/80/84/216028084.db2.gz ZUOWJPSWXIYVGT-KRWDZBQOSA-N 1 2 347.459 1.548 50 0 EDAALO COc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCC(C)C ZINC000072158137 216047730 /nfs/dbraw/zinc/04/77/30/216047730.db2.gz IFFQLUBCPBPNDN-OAHLLOKOSA-N 1 2 333.432 1.158 50 0 EDAALO COc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCC(C)C ZINC000072158137 216047736 /nfs/dbraw/zinc/04/77/36/216047736.db2.gz IFFQLUBCPBPNDN-OAHLLOKOSA-N 1 2 333.432 1.158 50 0 EDAALO CCN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(OC)c1)C(C)C ZINC000072174116 216065083 /nfs/dbraw/zinc/06/50/83/216065083.db2.gz LHVOPZIEYFOMPV-QGZVFWFLSA-N 1 2 347.459 1.643 50 0 EDAALO CCN(C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(OC)c1)C(C)C ZINC000072174116 216065085 /nfs/dbraw/zinc/06/50/85/216065085.db2.gz LHVOPZIEYFOMPV-QGZVFWFLSA-N 1 2 347.459 1.643 50 0 EDAALO COc1ccc(OCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)cc1 ZINC000072276026 216101458 /nfs/dbraw/zinc/10/14/58/216101458.db2.gz IPHCNQGXLOBHHJ-AWEZNQCLSA-N 1 2 344.415 1.937 50 0 EDAALO COc1ccc(OCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)cc1 ZINC000072276026 216101464 /nfs/dbraw/zinc/10/14/64/216101464.db2.gz IPHCNQGXLOBHHJ-AWEZNQCLSA-N 1 2 344.415 1.937 50 0 EDAALO Cc1nc(C)n(C[C@H]2CCCN(c3[nH+]cnc4c3cnn4C)C2)n1 ZINC000072276472 216103731 /nfs/dbraw/zinc/10/37/31/216103731.db2.gz OYKRLRCZXCAZSV-ZDUSSCGKSA-N 1 2 326.408 1.488 50 0 EDAALO Cc1ccc(N2CC[C@@H]([NH2+]Cc3nnc4n3CCCC4)C2=O)cc1 ZINC000072299684 216138288 /nfs/dbraw/zinc/13/82/88/216138288.db2.gz XCEWFJUKTDZYBI-OAHLLOKOSA-N 1 2 325.416 1.818 50 0 EDAALO Cc1cc(C[C@@H]2COC[C@@H]2Nc2[nH+]cnc3c2c(C)nn3C)on1 ZINC000072431654 216225953 /nfs/dbraw/zinc/22/59/53/216225953.db2.gz PCUQIJQBYRIKMR-YPMHNXCESA-N 1 2 328.376 1.638 50 0 EDAALO Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)c2cccc(O)c2)C1 ZINC000072453870 216241683 /nfs/dbraw/zinc/24/16/83/216241683.db2.gz PDCHESUIHKLNNI-CQSZACIVSA-N 1 2 343.431 1.602 50 0 EDAALO CCn1nc(C)c(C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1C ZINC000073119233 216352195 /nfs/dbraw/zinc/35/21/95/216352195.db2.gz PAZXVOBGDGUYRP-LLVKDONJSA-N 1 2 335.477 1.769 50 0 EDAALO O=C(Cc1cn2ccsc2n1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023804996 212396512 /nfs/dbraw/zinc/39/65/12/212396512.db2.gz LMJGGBOTICKQJC-UHFFFAOYSA-N 1 2 341.440 1.678 50 0 EDAALO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@H](C)O1 ZINC000022611917 212310976 /nfs/dbraw/zinc/31/09/76/212310976.db2.gz OIXFSLGABMENBD-TXEJJXNPSA-N 1 2 349.456 1.570 50 0 EDAALO C[C@@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@H](C)O1 ZINC000022611917 212310981 /nfs/dbraw/zinc/31/09/81/212310981.db2.gz OIXFSLGABMENBD-TXEJJXNPSA-N 1 2 349.456 1.570 50 0 EDAALO CC(C)c1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000022259185 212286535 /nfs/dbraw/zinc/28/65/35/212286535.db2.gz JMJDRCWSTLHMIP-UHFFFAOYSA-N 1 2 326.462 1.811 50 0 EDAALO CCOC(=O)N1CCC([N@@H+]2CCn3nc([C@@H](O)C4CC4)cc3C2)CC1 ZINC000219574130 241398657 /nfs/dbraw/zinc/39/86/57/241398657.db2.gz RLLGJXHOFGGTCL-KRWDZBQOSA-N 1 2 348.447 1.763 50 0 EDAALO CCOC(=O)N1CCC([N@H+]2CCn3nc([C@@H](O)C4CC4)cc3C2)CC1 ZINC000219574130 241398660 /nfs/dbraw/zinc/39/86/60/241398660.db2.gz RLLGJXHOFGGTCL-KRWDZBQOSA-N 1 2 348.447 1.763 50 0 EDAALO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)CC(=O)N1CCOCC1 ZINC000244811538 243085846 /nfs/dbraw/zinc/08/58/46/243085846.db2.gz SGNOFSRRJOFQMR-AWEZNQCLSA-N 1 2 328.416 1.928 50 0 EDAALO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000244811538 243085849 /nfs/dbraw/zinc/08/58/49/243085849.db2.gz SGNOFSRRJOFQMR-AWEZNQCLSA-N 1 2 328.416 1.928 50 0 EDAALO COc1ccc(CNc2nc3c(cnn3C)c(NCCCO)[nH+]2)cc1 ZINC000020744634 212168503 /nfs/dbraw/zinc/16/85/03/212168503.db2.gz BCEHUXDSDCCQBT-UHFFFAOYSA-N 1 2 342.403 1.778 50 0 EDAALO C[C@@H]1CCc2[nH]nc(C(=O)N3CC[NH+](Cc4ccccn4)CC3)c2C1 ZINC000020684371 212161810 /nfs/dbraw/zinc/16/18/10/212161810.db2.gz NQMMUKHQXQBZRI-CQSZACIVSA-N 1 2 339.443 1.888 50 0 EDAALO CNc1cc(N[C@H]2C[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)nc(N)[nH+]1 ZINC000253535342 244010065 /nfs/dbraw/zinc/01/00/65/244010065.db2.gz MBGKEJKPUMQCHH-DTORHVGOSA-N 1 2 330.396 1.020 50 0 EDAALO CNc1cc(N[C@H]2C[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)[nH+]c(N)n1 ZINC000253535342 244010071 /nfs/dbraw/zinc/01/00/71/244010071.db2.gz MBGKEJKPUMQCHH-DTORHVGOSA-N 1 2 330.396 1.020 50 0 EDAALO O=C(CN1CC[NH+](Cc2cccc(F)c2)CC1)NCc1ccco1 ZINC000020437841 212128604 /nfs/dbraw/zinc/12/86/04/212128604.db2.gz HDACLBAXKJRPML-UHFFFAOYSA-N 1 2 331.391 1.853 50 0 EDAALO OCCN1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000019957991 212089865 /nfs/dbraw/zinc/08/98/65/212089865.db2.gz IDPUHLLNLXZUJU-ZDUSSCGKSA-N 1 2 349.258 1.343 50 0 EDAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000019877528 212078685 /nfs/dbraw/zinc/07/86/85/212078685.db2.gz JMONJAXSIJFXQI-UHFFFAOYSA-N 1 2 326.824 1.946 50 0 EDAALO Cc1cc(C)c(S(=O)(=O)NCCC[NH+]2CCOCC2)c(C)c1 ZINC000019732339 212058854 /nfs/dbraw/zinc/05/88/54/212058854.db2.gz RJQIQOOKHOBASG-UHFFFAOYSA-N 1 2 326.462 1.612 50 0 EDAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)NC(=O)NC1 ZINC000019532056 212039541 /nfs/dbraw/zinc/03/95/41/212039541.db2.gz DTPZLENRBVEAMI-VIFPVBQESA-N 1 2 335.326 1.391 50 0 EDAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(F)(F)F)C2)NC(=O)NC1 ZINC000019532056 212039544 /nfs/dbraw/zinc/03/95/44/212039544.db2.gz DTPZLENRBVEAMI-VIFPVBQESA-N 1 2 335.326 1.391 50 0 EDAALO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000043051217 213554309 /nfs/dbraw/zinc/55/43/09/213554309.db2.gz QFVKLZQRJKANRW-UHFFFAOYSA-N 1 2 339.399 1.607 50 0 EDAALO COc1ccc(NC(=O)c2cn(-c3cc(N(C)C)[nH+]cn3)cn2)cc1 ZINC000049411332 214007303 /nfs/dbraw/zinc/00/73/03/214007303.db2.gz WDGULDULZASOFE-UHFFFAOYSA-N 1 2 338.371 1.989 50 0 EDAALO Cc1nc2cc(Cl)ccc2cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000078282044 217037691 /nfs/dbraw/zinc/03/76/91/217037691.db2.gz QIPKDWFNPAQHNX-UHFFFAOYSA-N 1 2 333.819 1.947 50 0 EDAALO O=C(c1cnn(-c2ccccc2Cl)c1)N1CC[NH+](CCO)CC1 ZINC000078783476 217119983 /nfs/dbraw/zinc/11/99/83/217119983.db2.gz NDTMPIOKPGKRPI-UHFFFAOYSA-N 1 2 334.807 1.276 50 0 EDAALO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CC1 ZINC000252484977 296241879 /nfs/dbraw/zinc/24/18/79/296241879.db2.gz 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441951371 /nfs/dbraw/zinc/95/13/71/441951371.db2.gz VDQQQOOHPVGZAC-DLBZAZTESA-N 1 2 330.432 1.313 50 0 EDAALO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000069492812 441952066 /nfs/dbraw/zinc/95/20/66/441952066.db2.gz LRWBYFCARNKQJI-LBPRGKRZSA-N 1 2 330.363 1.571 50 0 EDAALO Cc1nnc([C@H](C)[N@@H+]2CCN(c3ccc4nncn4n3)[C@H](C)C2)o1 ZINC000069510117 441957976 /nfs/dbraw/zinc/95/79/76/441957976.db2.gz LAKDWATZFACLJQ-MNOVXSKESA-N 1 2 328.380 1.087 50 0 EDAALO Cc1nnc([C@H](C)[N@H+]2CCN(c3ccc4nncn4n3)[C@H](C)C2)o1 ZINC000069510117 441957978 /nfs/dbraw/zinc/95/79/78/441957978.db2.gz LAKDWATZFACLJQ-MNOVXSKESA-N 1 2 328.380 1.087 50 0 EDAALO Cc1cccc(CS(=O)(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000069619721 441991916 /nfs/dbraw/zinc/99/19/16/441991916.db2.gz VMIGADCWHFEIRC-UHFFFAOYSA-N 1 2 326.462 1.525 50 0 EDAALO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000069622318 441992519 /nfs/dbraw/zinc/99/25/19/441992519.db2.gz VHGTYSIGQPSDFH-LLVKDONJSA-N 1 2 346.353 1.953 50 0 EDAALO 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ZINC000069871458 442062407 /nfs/dbraw/zinc/06/24/07/442062407.db2.gz KVVLFTGPZTXRKA-UHFFFAOYSA-N 1 2 336.197 1.743 50 0 EDAALO Cc1nn(C)c(Cl)c1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000069892656 442068505 /nfs/dbraw/zinc/06/85/05/442068505.db2.gz CNXNMRRGYFKKEQ-UHFFFAOYSA-N 1 2 346.826 1.142 50 0 EDAALO OCCN1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000096288997 442109798 /nfs/dbraw/zinc/10/97/98/442109798.db2.gz XXGVJVGIUASUCV-UHFFFAOYSA-N 1 2 329.238 1.438 50 0 EDAALO O=C(/C=C\c1ccc(F)cc1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000096305164 442111185 /nfs/dbraw/zinc/11/11/85/442111185.db2.gz WNDKGGAXSBDHHU-YVMONPNESA-N 1 2 345.418 1.606 50 0 EDAALO CCN(C(=O)C[NH+]1CCN(c2cnccn2)CC1)C1CCCCC1 ZINC000096714520 442149501 /nfs/dbraw/zinc/14/95/01/442149501.db2.gz YDDWPNLLGCSCMP-UHFFFAOYSA-N 1 2 331.464 1.780 50 0 EDAALO Cc1nc([C@H](C)NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cs1 ZINC000096436405 442130281 /nfs/dbraw/zinc/13/02/81/442130281.db2.gz GKOOGQUPSAMOAT-ZDUSSCGKSA-N 1 2 345.472 1.846 50 0 EDAALO C[C@H]1c2ccsc2CC[N@H+]1CCNS(=O)(=O)c1cnn(C)c1 ZINC000096441367 442132112 /nfs/dbraw/zinc/13/21/12/442132112.db2.gz JUJBMZSRRQKPTD-NSHDSACASA-N 1 2 340.474 1.379 50 0 EDAALO C[C@H]1c2ccsc2CC[N@@H+]1CCNS(=O)(=O)c1cnn(C)c1 ZINC000096441367 442132115 /nfs/dbraw/zinc/13/21/15/442132115.db2.gz JUJBMZSRRQKPTD-NSHDSACASA-N 1 2 340.474 1.379 50 0 EDAALO O=C(NCCc1cscn1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000097096642 442167019 /nfs/dbraw/zinc/16/70/19/442167019.db2.gz FDRBIXYTSCPKTC-UHFFFAOYSA-N 1 2 331.445 1.608 50 0 EDAALO CN(C)c1cc(CN2CCCc3ccc(S(N)(=O)=O)cc32)cc[nH+]1 ZINC000097109514 442170659 /nfs/dbraw/zinc/17/06/59/442170659.db2.gz SZDSGZYSBXDAKZ-UHFFFAOYSA-N 1 2 346.456 1.748 50 0 EDAALO O[C@@H](C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1)C(F)(F)F ZINC000097141603 442174745 /nfs/dbraw/zinc/17/47/45/442174745.db2.gz XQGKTVXCEYCNFH-VIFPVBQESA-N 1 2 344.259 1.541 50 0 EDAALO COc1ccc(CC(=O)N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000097141599 442174896 /nfs/dbraw/zinc/17/48/96/442174896.db2.gz 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ZINC000265658687 442867120 /nfs/dbraw/zinc/86/71/20/442867120.db2.gz RHYYYVJEKDMWCU-WMZOPIPTSA-N 1 2 344.386 1.739 50 0 EDAALO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2ncccn2)CC1 ZINC000248123169 442883378 /nfs/dbraw/zinc/88/33/78/442883378.db2.gz VWHBZTSBHIRFBE-NCOADZHNSA-N 1 2 345.491 1.928 50 0 EDAALO CCOC(=O)c1c[nH]n(C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1=N ZINC000195571618 443034261 /nfs/dbraw/zinc/03/42/61/443034261.db2.gz FHHJKBMAYUXTIL-UHFFFAOYSA-N 1 2 344.419 1.721 50 0 EDAALO Cc1cc(-n2cncn2)ccc1C(=O)OC[C@H](C)[NH+]1CCOCC1 ZINC000252510696 443038591 /nfs/dbraw/zinc/03/85/91/443038591.db2.gz ZOHXHYUTQPVCQN-AWEZNQCLSA-N 1 2 330.388 1.453 50 0 EDAALO CCCCn1nnnc1[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000215666338 443056321 /nfs/dbraw/zinc/05/63/21/443056321.db2.gz HSPDVRPITOYLPC-CQSZACIVSA-N 1 2 345.403 1.788 50 0 EDAALO CCCCn1nnnc1[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000215666338 443056327 /nfs/dbraw/zinc/05/63/27/443056327.db2.gz HSPDVRPITOYLPC-CQSZACIVSA-N 1 2 345.403 1.788 50 0 EDAALO O=c1nc(CN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)[nH]c2ccsc21 ZINC000253536574 443072357 /nfs/dbraw/zinc/07/23/57/443072357.db2.gz IGQRQDCLBMKOLN-STQMWFEESA-N 1 2 334.445 1.428 50 0 EDAALO O=C(Cn1cnc2ccccc21)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000222809406 443081382 /nfs/dbraw/zinc/08/13/82/443081382.db2.gz AQMSQEXLVAYTAF-INIZCTEOSA-N 1 2 342.443 1.750 50 0 EDAALO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2[C@@H](C(N)=O)c2ccc(F)cc2)n1 ZINC000229481156 443127028 /nfs/dbraw/zinc/12/70/28/443127028.db2.gz OFMXSPDLHLSGEW-JKSUJKDBSA-N 1 2 331.395 1.725 50 0 EDAALO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2[C@@H](C(N)=O)c2ccc(F)cc2)n1 ZINC000229481156 443127030 /nfs/dbraw/zinc/12/70/30/443127030.db2.gz OFMXSPDLHLSGEW-JKSUJKDBSA-N 1 2 331.395 1.725 50 0 EDAALO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N(C)Cc3noc(C)n3)C2)no1 ZINC000229824055 443130458 /nfs/dbraw/zinc/13/04/58/443130458.db2.gz NOBPLNIJBBQXPP-DGCLKSJQSA-N 1 2 348.407 1.208 50 0 EDAALO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N(C)Cc3noc(C)n3)C2)no1 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PJIYUEHXCWOAEU-DLBZAZTESA-N 1 2 347.459 1.666 50 0 EDAALO Cc1cnc(C[N@@H+](C)[C@H]2CCN(CC(=O)Nc3nccs3)C2)o1 ZINC000084258768 486254565 /nfs/dbraw/zinc/25/45/65/486254565.db2.gz VOATYQGERXOKMW-LBPRGKRZSA-N 1 2 335.433 1.584 50 0 EDAALO Cc1cnc(C[N@H+](C)[C@H]2CCN(CC(=O)Nc3nccs3)C2)o1 ZINC000084258768 486254571 /nfs/dbraw/zinc/25/45/71/486254571.db2.gz VOATYQGERXOKMW-LBPRGKRZSA-N 1 2 335.433 1.584 50 0 EDAALO CCOc1nnc(CN2CC[C@H]([N@H+](C)Cc3ncc(C)o3)C2)s1 ZINC000084811044 486289780 /nfs/dbraw/zinc/28/97/80/486289780.db2.gz JTVLRCYSEDVMTE-LBPRGKRZSA-N 1 2 337.449 1.940 50 0 EDAALO CCOc1nnc(CN2CC[C@H]([N@@H+](C)Cc3ncc(C)o3)C2)s1 ZINC000084811044 486289784 /nfs/dbraw/zinc/28/97/84/486289784.db2.gz JTVLRCYSEDVMTE-LBPRGKRZSA-N 1 2 337.449 1.940 50 0 EDAALO CC1(C)C[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCS1 ZINC000267593161 491010938 /nfs/dbraw/zinc/01/09/38/491010938.db2.gz JQZNGOGPVWHQPG-UHFFFAOYSA-N 1 2 343.474 1.100 50 0 EDAALO CC1(C)C[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCS1 ZINC000267593161 491010942 /nfs/dbraw/zinc/01/09/42/491010942.db2.gz JQZNGOGPVWHQPG-UHFFFAOYSA-N 1 2 343.474 1.100 50 0 EDAALO CC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159356148 527391340 /nfs/dbraw/zinc/39/13/40/527391340.db2.gz OABBVPUURYJXIT-OAHLLOKOSA-N 1 2 345.424 1.841 50 0 EDAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N2CCC[C@H](O)C2)nc1 ZINC000012433410 535393332 /nfs/dbraw/zinc/39/33/32/535393332.db2.gz WNNBKOCQIFEXMG-HNNXBMFYSA-N 1 2 343.431 1.439 50 0 EDAALO COc1ccc2nc(CCN(C)C(=O)C[N@@H+]3CCC[C@@H](O)C3)[nH]c2c1 ZINC000216381578 537050323 /nfs/dbraw/zinc/05/03/23/537050323.db2.gz YWYNCNYOLHBCQK-CYBMUJFWSA-N 1 2 346.431 1.029 50 0 EDAALO COc1ccc2nc(CCN(C)C(=O)C[N@H+]3CCC[C@@H](O)C3)[nH]c2c1 ZINC000216381578 537050325 /nfs/dbraw/zinc/05/03/25/537050325.db2.gz YWYNCNYOLHBCQK-CYBMUJFWSA-N 1 2 346.431 1.029 50 0 EDAALO COC(=O)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccc(O)cc1 ZINC000863947387 596723841 /nfs/dbraw/zinc/72/38/41/596723841.db2.gz DJQDUEULBJYPOY-JKSUJKDBSA-N 1 2 343.383 1.083 50 0 EDAALO Cc1nc(NC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)sc1C ZINC000053283607 214174760 /nfs/dbraw/zinc/17/47/60/214174760.db2.gz VMCAEKXLJOWQHV-UHFFFAOYSA-N 1 2 337.449 1.188 50 0 EDAALO CC(C)C(=O)N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000054153019 214220506 /nfs/dbraw/zinc/22/05/06/214220506.db2.gz ZGLDFFSPZIQLRE-UHFFFAOYSA-N 1 2 328.416 1.266 50 0 EDAALO CN(C)c1[nH+]cccc1CNC(=O)N1CCC(Cn2ccnn2)CC1 ZINC000163679333 529814097 /nfs/dbraw/zinc/81/40/97/529814097.db2.gz MDIUJTVQQCUXKE-UHFFFAOYSA-N 1 2 343.435 1.361 50 0 EDAALO Cc1nn(C)c(C)c1CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178704138 232393366 /nfs/dbraw/zinc/39/33/66/232393366.db2.gz WVVOOLXXISVGRB-HNNXBMFYSA-N 1 2 342.447 1.553 50 0 EDAALO Cc1nc(N2C[C@H]3COCC[C@@]3(C(=O)N3CCC=C(F)C3)C2)cc[nH+]1 ZINC000685940355 539578172 /nfs/dbraw/zinc/57/81/72/539578172.db2.gz GJYUORKUIKRXHW-KBXCAEBGSA-N 1 2 346.406 1.714 50 0 EDAALO COc1ccc(C[N@@H+]2CC[C@H](CNS(C)(=O)=O)C2)c(F)c1F ZINC000067605476 215166874 /nfs/dbraw/zinc/16/68/74/215166874.db2.gz MXESXJOXBCBLPG-SNVBAGLBSA-N 1 2 334.388 1.345 50 0 EDAALO COc1ccc(C[N@H+]2CC[C@H](CNS(C)(=O)=O)C2)c(F)c1F ZINC000067605476 215166877 /nfs/dbraw/zinc/16/68/77/215166877.db2.gz MXESXJOXBCBLPG-SNVBAGLBSA-N 1 2 334.388 1.345 50 0 EDAALO O=C(CCn1nnc2ccccc21)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000067643593 215172822 /nfs/dbraw/zinc/17/28/22/215172822.db2.gz ZXEIYMGBLLADKB-OAHLLOKOSA-N 1 2 338.415 1.957 50 0 EDAALO CC[N@@H+]1CCO[C@H](CCNS(=O)(=O)c2cc3ccccc3o2)C1 ZINC000067678415 215182869 /nfs/dbraw/zinc/18/28/69/215182869.db2.gz QUIOWHVBBIRKSD-CQSZACIVSA-N 1 2 338.429 1.822 50 0 EDAALO CC[N@H+]1CCO[C@H](CCNS(=O)(=O)c2cc3ccccc3o2)C1 ZINC000067678415 215182872 /nfs/dbraw/zinc/18/28/72/215182872.db2.gz QUIOWHVBBIRKSD-CQSZACIVSA-N 1 2 338.429 1.822 50 0 EDAALO CC(=O)NCC[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000067758574 215205876 /nfs/dbraw/zinc/20/58/76/215205876.db2.gz STNHZWBRYGSFJN-SFHVURJKSA-N 1 2 328.416 1.599 50 0 EDAALO CC(=O)NCC[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000067758574 215205878 /nfs/dbraw/zinc/20/58/78/215205878.db2.gz STNHZWBRYGSFJN-SFHVURJKSA-N 1 2 328.416 1.599 50 0 EDAALO CC(C)Cn1nc(C(=O)[O-])c2c1CC[C@@H]([NH2+]CCc1c[nH]c[nH+]1)C2 ZINC000067817448 215219773 /nfs/dbraw/zinc/21/97/73/215219773.db2.gz DJWPXGSJFVUDIT-GFCCVEGCSA-N 1 2 331.420 1.650 50 0 EDAALO CC(C)Cn1nc(C(=O)[O-])c2c1CC[C@@H]([NH2+]CCc1c[nH+]c[nH]1)C2 ZINC000067817448 215219775 /nfs/dbraw/zinc/21/97/75/215219775.db2.gz DJWPXGSJFVUDIT-GFCCVEGCSA-N 1 2 331.420 1.650 50 0 EDAALO O=C(c1ccc(NCCO)nc1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000067847560 215229512 /nfs/dbraw/zinc/22/95/12/215229512.db2.gz HVVAANWPHQXNSR-CQSZACIVSA-N 1 2 329.404 1.235 50 0 EDAALO CCn1ncnc1[C@H](C)NC(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000067947019 215256050 /nfs/dbraw/zinc/25/60/50/215256050.db2.gz AKLFLTVXCHPTBL-ZDUSSCGKSA-N 1 2 329.404 1.370 50 0 EDAALO CCn1ncnc1[C@H](C)NC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000067947019 215256054 /nfs/dbraw/zinc/25/60/54/215256054.db2.gz AKLFLTVXCHPTBL-ZDUSSCGKSA-N 1 2 329.404 1.370 50 0 EDAALO O=C(NCc1cc[nH]n1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000069351190 215385591 /nfs/dbraw/zinc/38/55/91/215385591.db2.gz JWMPZNTUZHTCRY-CYBMUJFWSA-N 1 2 335.433 1.344 50 0 EDAALO Cc1ccccc1CC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000040481342 213315240 /nfs/dbraw/zinc/31/52/40/213315240.db2.gz QZJSTGORRUPECX-UHFFFAOYSA-N 1 2 345.487 1.987 50 0 EDAALO Cc1ccccc1CC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000040481342 213315242 /nfs/dbraw/zinc/31/52/42/213315242.db2.gz QZJSTGORRUPECX-UHFFFAOYSA-N 1 2 345.487 1.987 50 0 EDAALO CC1CCN(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000040071761 213258282 /nfs/dbraw/zinc/25/82/82/213258282.db2.gz DBNFGXMNSHDUPC-UHFFFAOYSA-N 1 2 338.477 1.748 50 0 EDAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc[nH]c2=O)cc1 ZINC000040049418 213253585 /nfs/dbraw/zinc/25/35/85/213253585.db2.gz LBDNPDVWCUUPCZ-QGZVFWFLSA-N 1 2 341.411 1.487 50 0 EDAALO O=C(CCn1cncn1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000071885818 215922885 /nfs/dbraw/zinc/92/28/85/215922885.db2.gz NTEFVVRTXMBPNA-UHFFFAOYSA-N 1 2 328.420 1.760 50 0 EDAALO Cc1c[nH]cc1C(=O)NCC[NH+]1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC000564830105 306365731 /nfs/dbraw/zinc/36/57/31/306365731.db2.gz XIBHDAYBEDTMPU-UHFFFAOYSA-N 1 2 343.431 1.147 50 0 EDAALO Nc1nc(N2CC[C@H](CO)[C@H](O)C2)cc(Sc2cccs2)[nH+]1 ZINC000072167350 216056863 /nfs/dbraw/zinc/05/68/63/216056863.db2.gz BDWDLFUNAKTWAQ-NXEZZACHSA-N 1 2 338.458 1.451 50 0 EDAALO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000072274302 216097953 /nfs/dbraw/zinc/09/79/53/216097953.db2.gz JUANGBPWXHCARE-INIZCTEOSA-N 1 2 333.432 1.874 50 0 EDAALO C[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000023423483 212377083 /nfs/dbraw/zinc/37/70/83/212377083.db2.gz ONFGSSYCLILTIH-UHFFFAOYSA-N 1 2 330.169 1.679 50 0 EDAALO COc1ccc(C[N@@H+]2CCN(Cc3ccon3)C[C@@H]2CCO)c(F)c1 ZINC000023359154 212369927 /nfs/dbraw/zinc/36/99/27/212369927.db2.gz SUZMBDUXGHRZCA-INIZCTEOSA-N 1 2 349.406 1.891 50 0 EDAALO COc1ccc(C[N@H+]2CCN(Cc3ccon3)C[C@@H]2CCO)c(F)c1 ZINC000023359154 212369930 /nfs/dbraw/zinc/36/99/30/212369930.db2.gz SUZMBDUXGHRZCA-INIZCTEOSA-N 1 2 349.406 1.891 50 0 EDAALO O=S(=O)(Cc1ccccc1)N1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000193622427 240240052 /nfs/dbraw/zinc/24/00/52/240240052.db2.gz NGEUUMAWCNWSEK-QGZVFWFLSA-N 1 2 336.457 1.827 50 0 EDAALO COCCn1ccnc1C[NH+]1CCC([C@H](O)c2ccccn2)CC1 ZINC000216197853 241174251 /nfs/dbraw/zinc/17/42/51/241174251.db2.gz QBJMWELDHGNMBW-SFHVURJKSA-N 1 2 330.432 1.870 50 0 EDAALO Cc1c2ccccc2oc1C[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000216533461 241202663 /nfs/dbraw/zinc/20/26/63/241202663.db2.gz WDPPXKUBWLHSNE-UHFFFAOYSA-N 1 2 337.445 1.665 50 0 EDAALO O=C(C[C@@H]1C=CS(=O)(=O)C1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000219324171 241379801 /nfs/dbraw/zinc/37/98/01/241379801.db2.gz WTWCHVCHRYUGIF-AWEZNQCLSA-N 1 2 349.456 1.111 50 0 EDAALO CCOC(=O)N1CCC([N@@H+]2CCn3nc([C@H](O)C4CC4)cc3C2)CC1 ZINC000219574213 241398051 /nfs/dbraw/zinc/39/80/51/241398051.db2.gz RLLGJXHOFGGTCL-QGZVFWFLSA-N 1 2 348.447 1.763 50 0 EDAALO CCOC(=O)N1CCC([N@H+]2CCn3nc([C@H](O)C4CC4)cc3C2)CC1 ZINC000219574213 241398056 /nfs/dbraw/zinc/39/80/56/241398056.db2.gz RLLGJXHOFGGTCL-QGZVFWFLSA-N 1 2 348.447 1.763 50 0 EDAALO CCc1c[nH+]c(C)nc1N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O ZINC000244816757 243086178 /nfs/dbraw/zinc/08/61/78/243086178.db2.gz SNWFFTBBULDRDO-GDBMZVCRSA-N 1 2 341.415 1.430 50 0 EDAALO Cn1cc[nH+]c1CN1CCN(C(=O)CC2Cc3ccccc3C2)CC1 ZINC000244874751 243095146 /nfs/dbraw/zinc/09/51/46/243095146.db2.gz XGTGMIADQJVHOX-UHFFFAOYSA-N 1 2 338.455 1.869 50 0 EDAALO Cc1nc2c(c(=O)[nH]1)CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)CC2 ZINC000253536707 244016788 /nfs/dbraw/zinc/01/67/88/244016788.db2.gz LNTDIOBHPVEFMY-UHFFFAOYSA-N 1 2 347.806 1.578 50 0 EDAALO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)CC2 ZINC000253536707 244016792 /nfs/dbraw/zinc/01/67/92/244016792.db2.gz LNTDIOBHPVEFMY-UHFFFAOYSA-N 1 2 347.806 1.578 50 0 EDAALO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)c(C)c1C ZINC000019619449 212051745 /nfs/dbraw/zinc/05/17/45/212051745.db2.gz KNINOTAAUQVAEY-UHFFFAOYSA-N 1 2 326.462 1.612 50 0 EDAALO Cc1cccc(C[N@@H+]2CCN(Cc3ccc(CO)o3)C[C@@H]2CCO)n1 ZINC000019225026 212007375 /nfs/dbraw/zinc/00/73/75/212007375.db2.gz JGMZTCVZPAFWNI-KRWDZBQOSA-N 1 2 345.443 1.544 50 0 EDAALO Cc1cccc(C[N@H+]2CCN(Cc3ccc(CO)o3)C[C@@H]2CCO)n1 ZINC000019225026 212007377 /nfs/dbraw/zinc/00/73/77/212007377.db2.gz JGMZTCVZPAFWNI-KRWDZBQOSA-N 1 2 345.443 1.544 50 0 EDAALO Cc1cccc(CN2CC[N@H+](Cc3ccc(CO)o3)C[C@@H]2CCO)n1 ZINC000019225026 212007381 /nfs/dbraw/zinc/00/73/81/212007381.db2.gz JGMZTCVZPAFWNI-KRWDZBQOSA-N 1 2 345.443 1.544 50 0 EDAALO Cc1cccc(CN2CC[N@@H+](Cc3ccc(CO)o3)C[C@@H]2CCO)n1 ZINC000019225026 212007382 /nfs/dbraw/zinc/00/73/82/212007382.db2.gz JGMZTCVZPAFWNI-KRWDZBQOSA-N 1 2 345.443 1.544 50 0 EDAALO Cc1cccc(N2CCN(CC(=O)NC[C@@H]3CCCO3)[C@@H](C)C2)[nH+]1 ZINC000110595558 220046970 /nfs/dbraw/zinc/04/69/70/220046970.db2.gz 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331.416 1.825 50 0 EDAALO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000069809136 442044991 /nfs/dbraw/zinc/04/49/91/442044991.db2.gz YMSDWNBRLMXIKD-HNNXBMFYSA-N 1 2 346.431 1.083 50 0 EDAALO Cc1noc([C@@H](C)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000096420513 442121476 /nfs/dbraw/zinc/12/14/76/442121476.db2.gz ZYZINEJXKSDPBK-IUODEOHRSA-N 1 2 330.388 1.456 50 0 EDAALO Cc1noc([C@@H](C)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000096420513 442121482 /nfs/dbraw/zinc/12/14/82/442121482.db2.gz ZYZINEJXKSDPBK-IUODEOHRSA-N 1 2 330.388 1.456 50 0 EDAALO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+](C)CCNS(C)(=O)=O ZINC000096443348 442133668 /nfs/dbraw/zinc/13/36/68/442133668.db2.gz RASDKBLUJSIUJA-JTQLQIEISA-N 1 2 346.403 1.973 50 0 EDAALO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)CCNS(C)(=O)=O ZINC000096443348 442133672 /nfs/dbraw/zinc/13/36/72/442133672.db2.gz RASDKBLUJSIUJA-JTQLQIEISA-N 1 2 346.403 1.973 50 0 EDAALO O[C@H](CSc1ncccc1Br)C[NH+]1CCOCC1 ZINC000096501758 442145285 /nfs/dbraw/zinc/14/52/85/442145285.db2.gz JCYSFHAUKLNLTJ-JTQLQIEISA-N 1 2 333.251 1.629 50 0 EDAALO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3nc(N)c4ccccc4n3)[C@@H]2C1 ZINC000096501529 442145543 /nfs/dbraw/zinc/14/55/43/442145543.db2.gz LVIOTYBEAHWZSW-WQVCFCJDSA-N 1 2 328.416 1.980 50 0 EDAALO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3nc(N)c4ccccc4n3)[C@@H]2C1 ZINC000096501529 442145545 /nfs/dbraw/zinc/14/55/45/442145545.db2.gz LVIOTYBEAHWZSW-WQVCFCJDSA-N 1 2 328.416 1.980 50 0 EDAALO O[C@@H](CSc1ncccc1Br)C[NH+]1CCOCC1 ZINC000096501756 442145701 /nfs/dbraw/zinc/14/57/01/442145701.db2.gz JCYSFHAUKLNLTJ-SNVBAGLBSA-N 1 2 333.251 1.629 50 0 EDAALO CN(C[C@H]1CCC[C@@H]1O)c1cc(N(C)C[C@@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000097096902 442167627 /nfs/dbraw/zinc/16/76/27/442167627.db2.gz GNMVBTANDDXKRY-FZKCQIBNSA-N 1 2 334.464 1.671 50 0 EDAALO CN(C[C@H]1CCC[C@@H]1O)c1cc(N(C)C[C@@H]2CCC[C@@H]2O)[nH+]cn1 ZINC000097096902 442167632 /nfs/dbraw/zinc/16/76/32/442167632.db2.gz GNMVBTANDDXKRY-FZKCQIBNSA-N 1 2 334.464 1.671 50 0 EDAALO COC(=O)c1cn(C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)nn1 ZINC000097115410 442171852 /nfs/dbraw/zinc/17/18/52/442171852.db2.gz ZATUOXZRDVOTHS-UHFFFAOYSA-N 1 2 326.360 1.783 50 0 EDAALO OCCn1ncc2c1ncnc2NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000097199731 442183654 /nfs/dbraw/zinc/18/36/54/442183654.db2.gz DDJYAHHVVSFUGH-UHFFFAOYSA-N 1 2 349.398 1.676 50 0 EDAALO CCc1nn(C)cc1CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000097376468 442192916 /nfs/dbraw/zinc/19/29/16/442192916.db2.gz LNYLMVOEVCPOQV-UHFFFAOYSA-N 1 2 343.435 1.113 50 0 EDAALO Nc1cccc(-c2nc([C@H]3CCOC3)nn2CCc2c[nH]c[nH+]2)n1 ZINC000097076849 442161866 /nfs/dbraw/zinc/16/18/66/442161866.db2.gz IQQYEASVPYHRSP-NSHDSACASA-N 1 2 325.376 1.392 50 0 EDAALO Nc1cccc(-c2nc([C@H]3CCOC3)nn2CCc2c[nH+]c[nH]2)n1 ZINC000097076849 442161871 /nfs/dbraw/zinc/16/18/71/442161871.db2.gz IQQYEASVPYHRSP-NSHDSACASA-N 1 2 325.376 1.392 50 0 EDAALO C[C@@H]1C[N@@H+](C[C@@H]2CN(NC(=O)c3ccccc3)C(=O)O2)C[C@H](C)O1 ZINC000170619018 442237610 /nfs/dbraw/zinc/23/76/10/442237610.db2.gz GVPPSMWSXQIOKI-VNHYZAJKSA-N 1 2 333.388 1.261 50 0 EDAALO C[C@@H]1C[N@H+](C[C@@H]2CN(NC(=O)c3ccccc3)C(=O)O2)C[C@H](C)O1 ZINC000170619018 442237613 /nfs/dbraw/zinc/23/76/13/442237613.db2.gz GVPPSMWSXQIOKI-VNHYZAJKSA-N 1 2 333.388 1.261 50 0 EDAALO CC1(C)COCC[N@@H+]1CCNC(=O)c1cccnc1C(F)(F)F ZINC000188374753 442744711 /nfs/dbraw/zinc/74/47/11/442744711.db2.gz PLMPWRFDVKWQRH-UHFFFAOYSA-N 1 2 331.338 1.941 50 0 EDAALO CC1(C)COCC[N@H+]1CCNC(=O)c1cccnc1C(F)(F)F ZINC000188374753 442744712 /nfs/dbraw/zinc/74/47/12/442744712.db2.gz PLMPWRFDVKWQRH-UHFFFAOYSA-N 1 2 331.338 1.941 50 0 EDAALO C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000249353526 442967953 /nfs/dbraw/zinc/96/79/53/442967953.db2.gz QILNNFKIEOVKTR-SCAQPMJSSA-N 1 2 332.448 1.865 50 0 EDAALO Cn1cc[nH+]c1CN(CCO)Cc1cnc(N2CCCCC2)nc1 ZINC000223649444 443091735 /nfs/dbraw/zinc/09/17/35/443091735.db2.gz YAHLDTOBRDOJNU-UHFFFAOYSA-N 1 2 330.436 1.195 50 0 EDAALO NC(=O)C1(O)CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000253393829 443053024 /nfs/dbraw/zinc/05/30/24/443053024.db2.gz QXJCPUBTIWPORC-UHFFFAOYSA-N 1 2 331.185 1.400 50 0 EDAALO CS(=O)(=O)N1CC[N@H+](CCOCC(F)F)Cc2ccccc21 ZINC000253421452 443064791 /nfs/dbraw/zinc/06/47/91/443064791.db2.gz WCMACVSMWVIHRA-UHFFFAOYSA-N 1 2 334.388 1.550 50 0 EDAALO CS(=O)(=O)N1CC[N@@H+](CCOCC(F)F)Cc2ccccc21 ZINC000253421452 443064795 /nfs/dbraw/zinc/06/47/95/443064795.db2.gz WCMACVSMWVIHRA-UHFFFAOYSA-N 1 2 334.388 1.550 50 0 EDAALO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(N(C)C)nc3)CC2)n1 ZINC000222353623 443077600 /nfs/dbraw/zinc/07/76/00/443077600.db2.gz DBTMSXUCNJYUAJ-UHFFFAOYSA-N 1 2 326.448 1.877 50 0 EDAALO Cc1cc(C)n2c(nnc2C(=O)N[C@@H](c2[nH+]ccn2C)C(C)C)n1 ZINC000222965518 443083492 /nfs/dbraw/zinc/08/34/92/443083492.db2.gz IUMIMUSFMWBRLY-GFCCVEGCSA-N 1 2 327.392 1.602 50 0 EDAALO CN1CCn2cc[nH+]c2C12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000257176923 443118069 /nfs/dbraw/zinc/11/80/69/443118069.db2.gz VBSYILBVLGDAQQ-UHFFFAOYSA-N 1 2 346.456 1.509 50 0 EDAALO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCc2c(=O)[nH]cnc2C1 ZINC000241316740 443206402 /nfs/dbraw/zinc/20/64/02/443206402.db2.gz LUNLMCXBYVZVBV-LLVKDONJSA-N 1 2 330.363 1.384 50 0 EDAALO C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCc2c(=O)[nH]cnc2C1 ZINC000241316740 443206404 /nfs/dbraw/zinc/20/64/04/443206404.db2.gz LUNLMCXBYVZVBV-LLVKDONJSA-N 1 2 330.363 1.384 50 0 EDAALO Cc1nc(N2CCN(Cc3nccn3C)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244866663 443216188 /nfs/dbraw/zinc/21/61/88/443216188.db2.gz WAGSFVIDVVJVRD-GASCZTMLSA-N 1 2 342.447 1.079 50 0 EDAALO CCO[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCOCC2)C12CCOCC2 ZINC000374862420 446422833 /nfs/dbraw/zinc/42/28/33/446422833.db2.gz KXUKYFKFAANZKM-GJZGRUSLSA-N 1 2 340.464 1.188 50 0 EDAALO COCCn1cnnc1CNC(=O)c1cccc(-c2[nH+]ccn2C)c1 ZINC000426503878 447460107 /nfs/dbraw/zinc/46/01/07/447460107.db2.gz ACPCTKYZYKGLDC-UHFFFAOYSA-N 1 2 340.387 1.255 50 0 EDAALO CCc1nnsc1C(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000426511680 447461543 /nfs/dbraw/zinc/46/15/43/447461543.db2.gz MWVIJYHVJOHWJN-CYBMUJFWSA-N 1 2 331.445 1.890 50 0 EDAALO CCc1nnsc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000426511680 447461546 /nfs/dbraw/zinc/46/15/46/447461546.db2.gz MWVIJYHVJOHWJN-CYBMUJFWSA-N 1 2 331.445 1.890 50 0 EDAALO NC(=O)c1ccc(C(=O)NCC2CC[NH+](CC(F)F)CC2)cc1 ZINC000408517404 447671682 /nfs/dbraw/zinc/67/16/82/447671682.db2.gz HPUZRCQCAYANSP-UHFFFAOYSA-N 1 2 325.359 1.492 50 0 EDAALO CCCn1cc[nH+]c1CNC(=O)c1cc(S(N)(=O)=O)ccc1C ZINC000534584746 448455284 /nfs/dbraw/zinc/45/52/84/448455284.db2.gz ADILQEIGDQFWJN-UHFFFAOYSA-N 1 2 336.417 1.179 50 0 EDAALO O=C(NCc1cc(=O)[nH]cn1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000534587753 448456813 /nfs/dbraw/zinc/45/68/13/448456813.db2.gz PXEPTQRWVPKRNS-AWEZNQCLSA-N 1 2 330.392 1.533 50 0 EDAALO COCCCn1cnnc1[C@H](C)NC(=O)N(C)Cc1[nH]cc(C)[nH+]1 ZINC000534588898 448456972 /nfs/dbraw/zinc/45/69/72/448456972.db2.gz HJIOJMPUZIHBAJ-LBPRGKRZSA-N 1 2 335.412 1.249 50 0 EDAALO CC(C)c1nnc(C[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)s1 ZINC000528460971 448538047 /nfs/dbraw/zinc/53/80/47/448538047.db2.gz ADGPYQLOUKPOBE-CQSZACIVSA-N 1 2 338.477 1.513 50 0 EDAALO CCc1ccccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000585114771 448694222 /nfs/dbraw/zinc/69/42/22/448694222.db2.gz YFFXOQCNPFBRGQ-INIZCTEOSA-N 1 2 338.473 1.734 50 0 EDAALO O=C(CCc1cn[nH]c1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000585124262 448701732 /nfs/dbraw/zinc/70/17/32/448701732.db2.gz DQAYZKSJCBNDAA-CQSZACIVSA-N 1 2 334.445 1.594 50 0 EDAALO C[C@H](NC(=O)C[N@H+](C)Cc1ccncc1)c1cn2ncsc2n1 ZINC000220206579 485785732 /nfs/dbraw/zinc/78/57/32/485785732.db2.gz JIOBFMVDSUWLMX-NSHDSACASA-N 1 2 330.417 1.495 50 0 EDAALO C[C@H](NC(=O)C[N@@H+](C)Cc1ccncc1)c1cn2ncsc2n1 ZINC000220206579 485785738 /nfs/dbraw/zinc/78/57/38/485785738.db2.gz JIOBFMVDSUWLMX-NSHDSACASA-N 1 2 330.417 1.495 50 0 EDAALO O=C(C[C@H](c1ccsc1)n1cccc1)NCC[NH+]1CCOCC1 ZINC000263587960 486162732 /nfs/dbraw/zinc/16/27/32/486162732.db2.gz NNDVOGBAZVKLNA-MRXNPFEDSA-N 1 2 333.457 1.978 50 0 EDAALO Cc1cnc(CN(C)[C@H]2CC[N@H+](CC(=O)NCc3ccccn3)C2)o1 ZINC000084258730 486254220 /nfs/dbraw/zinc/25/42/20/486254220.db2.gz GAADEYPNQRGKBU-INIZCTEOSA-N 1 2 343.431 1.201 50 0 EDAALO Cc1cnc(CN(C)[C@H]2CC[N@@H+](CC(=O)NCc3ccccn3)C2)o1 ZINC000084258730 486254225 /nfs/dbraw/zinc/25/42/25/486254225.db2.gz GAADEYPNQRGKBU-INIZCTEOSA-N 1 2 343.431 1.201 50 0 EDAALO Cc1cnc(C[N@@H+](C)[C@H]2CCN(CC(=O)NCc3ccccn3)C2)o1 ZINC000084258730 486254228 /nfs/dbraw/zinc/25/42/28/486254228.db2.gz GAADEYPNQRGKBU-INIZCTEOSA-N 1 2 343.431 1.201 50 0 EDAALO Cc1cnc(C[N@H+](C)[C@H]2CCN(CC(=O)NCc3ccccn3)C2)o1 ZINC000084258730 486254231 /nfs/dbraw/zinc/25/42/31/486254231.db2.gz GAADEYPNQRGKBU-INIZCTEOSA-N 1 2 343.431 1.201 50 0 EDAALO CCc1nnc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)[nH]1 ZINC000244828638 536133105 /nfs/dbraw/zinc/13/31/05/536133105.db2.gz TZYKEDRXAOATBS-KRWDZBQOSA-N 1 2 335.452 1.218 50 0 EDAALO CCc1nnc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)[nH]1 ZINC000244828638 536133113 /nfs/dbraw/zinc/13/31/13/536133113.db2.gz TZYKEDRXAOATBS-KRWDZBQOSA-N 1 2 335.452 1.218 50 0 EDAALO C[C@H](CNC(=O)Nc1cccc2c1ccn2C)[NH+]1CCN(C)CC1 ZINC000952995534 708048930 /nfs/dbraw/zinc/04/89/30/708048930.db2.gz PHSQXSMTJBLIKT-CQSZACIVSA-N 1 2 329.448 1.936 50 0 EDAALO Cc1ccc(Nc2nc(N)nc(C[NH+]3CCC(C(N)=O)CC3)n2)cc1 ZINC000054097601 214215646 /nfs/dbraw/zinc/21/56/46/214215646.db2.gz MALCKGFYRIOSSW-UHFFFAOYSA-N 1 2 341.419 1.203 50 0 EDAALO O=C(C[NH+]1CCN(c2nccs2)CC1)N1CCc2ccccc2C1 ZINC000054620412 214246332 /nfs/dbraw/zinc/24/63/32/214246332.db2.gz XIRWMYBTIYLXSY-UHFFFAOYSA-N 1 2 342.468 1.850 50 0 EDAALO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000054993580 214264010 /nfs/dbraw/zinc/26/40/10/214264010.db2.gz UJZFWOZMZIBTCM-HNNXBMFYSA-N 1 2 335.423 1.363 50 0 EDAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccs1)N1CCCCCC1 ZINC000055035954 214264864 /nfs/dbraw/zinc/26/48/64/214264864.db2.gz PMUXVGOXSAVOKY-OAHLLOKOSA-N 1 2 335.473 1.841 50 0 EDAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccs1)N1CCCCCC1 ZINC000055035954 214264867 /nfs/dbraw/zinc/26/48/67/214264867.db2.gz PMUXVGOXSAVOKY-OAHLLOKOSA-N 1 2 335.473 1.841 50 0 EDAALO O=C(CCc1cn2ccccc2[nH+]1)NCCNC(=O)c1cccnc1 ZINC000097797360 219057669 /nfs/dbraw/zinc/05/76/69/219057669.db2.gz YJSKSAHSKADLDQ-UHFFFAOYSA-N 1 2 337.383 1.208 50 0 EDAALO CC(C)[C@@H](CNS(=O)(=O)/C=C\c1ccccc1)[NH+]1CCOCC1 ZINC000056673041 214384277 /nfs/dbraw/zinc/38/42/77/214384277.db2.gz QGBAXVWBQSQSKK-KMGMULKOSA-N 1 2 338.473 1.934 50 0 EDAALO COC(=O)c1cc(Br)c(=O)n(CCc2c[nH+]c[nH]2)c1 ZINC000004555729 210220631 /nfs/dbraw/zinc/22/06/31/210220631.db2.gz XDPJYCPUKGGTBI-UHFFFAOYSA-N 1 2 326.150 1.363 50 0 EDAALO COC(=O)c1cc(Br)c(=O)n(CCc2c[nH]c[nH+]2)c1 ZINC000004555729 210220635 /nfs/dbraw/zinc/22/06/35/210220635.db2.gz XDPJYCPUKGGTBI-UHFFFAOYSA-N 1 2 326.150 1.363 50 0 EDAALO CCOC(=O)[C@H]([NH3+])CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000100566598 219101896 /nfs/dbraw/zinc/10/18/96/219101896.db2.gz YWBAIGPKLVDRPY-NEPJUHHUSA-N 1 2 340.376 1.081 50 0 EDAALO O=C(N[C@@H]1CCc2[nH+]ccn2C1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000065463046 214920115 /nfs/dbraw/zinc/92/01/15/214920115.db2.gz SZFCLJWWUYMVSI-CYBMUJFWSA-N 1 2 335.367 1.174 50 0 EDAALO Cc1ccc(N2C[C@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)cc1 ZINC000004102826 210120202 /nfs/dbraw/zinc/12/02/02/210120202.db2.gz NKCVKYZMPJKUPH-OAHLLOKOSA-N 1 2 326.400 1.751 50 0 EDAALO Cc1nn(C)c(C)c1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178704120 232394135 /nfs/dbraw/zinc/39/41/35/232394135.db2.gz WVVOOLXXISVGRB-OAHLLOKOSA-N 1 2 342.447 1.553 50 0 EDAALO CNC(=O)[C@H](C)CNC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067678710 215183462 /nfs/dbraw/zinc/18/34/62/215183462.db2.gz JKLATSVYTMRPJN-CYBMUJFWSA-N 1 2 344.415 1.419 50 0 EDAALO CNC(=O)[C@H](C)CNC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067678710 215183464 /nfs/dbraw/zinc/18/34/64/215183464.db2.gz JKLATSVYTMRPJN-CYBMUJFWSA-N 1 2 344.415 1.419 50 0 EDAALO C[C@@H]1CNC(=O)CC[N@@H+]1Cc1cccn1S(=O)(=O)c1ccccc1 ZINC000067725319 215196253 /nfs/dbraw/zinc/19/62/53/215196253.db2.gz BSTCYXMUTIVVLA-CQSZACIVSA-N 1 2 347.440 1.436 50 0 EDAALO C[C@@H]1CNC(=O)CC[N@H+]1Cc1cccn1S(=O)(=O)c1ccccc1 ZINC000067725319 215196257 /nfs/dbraw/zinc/19/62/57/215196257.db2.gz BSTCYXMUTIVVLA-CQSZACIVSA-N 1 2 347.440 1.436 50 0 EDAALO Cc1ccoc1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000069350069 215384518 /nfs/dbraw/zinc/38/45/18/215384518.db2.gz KTVUJYLYOHJUCX-UHFFFAOYSA-N 1 2 342.399 1.452 50 0 EDAALO O=S(=O)(N1CC[NH+](Cc2cccnc2)CC1)N1CCCCCC1 ZINC000040493375 213320254 /nfs/dbraw/zinc/32/02/54/213320254.db2.gz RCPHHEIWNAOPMZ-UHFFFAOYSA-N 1 2 338.477 1.320 50 0 EDAALO C[C@H](NC(=O)NCC[NH+]1CCOCC1)c1nc(-c2ccccc2)c[nH]1 ZINC000069775482 215575087 /nfs/dbraw/zinc/57/50/87/215575087.db2.gz SZELDZCJYICYTJ-AWEZNQCLSA-N 1 2 343.431 1.769 50 0 EDAALO CCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1OCC ZINC000072156149 216046025 /nfs/dbraw/zinc/04/60/25/216046025.db2.gz VIXDIBLKIJSVON-OAHLLOKOSA-N 1 2 333.432 1.302 50 0 EDAALO CCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1OCC ZINC000072156149 216046026 /nfs/dbraw/zinc/04/60/26/216046026.db2.gz VIXDIBLKIJSVON-OAHLLOKOSA-N 1 2 333.432 1.302 50 0 EDAALO O=C(NCC[NH+]1CCOCC1)c1cc(Sc2ncccn2)ccn1 ZINC000072243487 216082477 /nfs/dbraw/zinc/08/24/77/216082477.db2.gz GIMOSFXJPJVRSG-UHFFFAOYSA-N 1 2 345.428 1.085 50 0 EDAALO Cc1ccc2c(c1C)OC[C@H]2NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000072274320 216098132 /nfs/dbraw/zinc/09/81/32/216098132.db2.gz MNWJNDLANZIKHV-MRXNPFEDSA-N 1 2 333.432 1.711 50 0 EDAALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000029694149 212677587 /nfs/dbraw/zinc/67/75/87/212677587.db2.gz UIUAZLQPOJBUBB-OAHLLOKOSA-N 1 2 343.471 1.776 50 0 EDAALO O=C(c1ccco1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1 ZINC000072412321 216205374 /nfs/dbraw/zinc/20/53/74/216205374.db2.gz ICUQLILFCMFMSR-DZGCQCFKSA-N 1 2 342.399 1.699 50 0 EDAALO O=C(c1ccco1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 ZINC000072412321 216205376 /nfs/dbraw/zinc/20/53/76/216205376.db2.gz ICUQLILFCMFMSR-DZGCQCFKSA-N 1 2 342.399 1.699 50 0 EDAALO Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccco3)ncn2)c1C ZINC000072446786 216236649 /nfs/dbraw/zinc/23/66/49/216236649.db2.gz WUQFBKPEGUUZDU-UHFFFAOYSA-N 1 2 326.360 1.714 50 0 EDAALO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000074288143 216470576 /nfs/dbraw/zinc/47/05/76/216470576.db2.gz OMZMSDJQGPHGGH-SNVBAGLBSA-N 1 2 342.446 1.299 50 0 EDAALO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000074288143 216470578 /nfs/dbraw/zinc/47/05/78/216470578.db2.gz OMZMSDJQGPHGGH-SNVBAGLBSA-N 1 2 342.446 1.299 50 0 EDAALO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2CC(=O)Nc2cc(C)no2)c1 ZINC000225729699 242007442 /nfs/dbraw/zinc/00/74/42/242007442.db2.gz STVKDQWUYBRLJM-HIFRSBDPSA-N 1 2 331.372 1.738 50 0 EDAALO COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2CC(=O)Nc2cc(C)no2)c1 ZINC000225729699 242007447 /nfs/dbraw/zinc/00/74/47/242007447.db2.gz STVKDQWUYBRLJM-HIFRSBDPSA-N 1 2 331.372 1.738 50 0 EDAALO C[C@@H](Oc1ncccc1C(=O)NCC[NH+]1CCOCC1)C(F)(F)F ZINC000241946744 243005509 /nfs/dbraw/zinc/00/55/09/243005509.db2.gz UNOCQXPQLQDCBN-LLVKDONJSA-N 1 2 347.337 1.473 50 0 EDAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)[C@@H]1CCCO1 ZINC000019144380 212002375 /nfs/dbraw/zinc/00/23/75/212002375.db2.gz AILBTYNCKQENRF-KRWDZBQOSA-N 1 2 340.427 1.951 50 0 EDAALO CCN(CC(=O)NC(C)C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000069743695 284396317 /nfs/dbraw/zinc/39/63/17/284396317.db2.gz DGFGHQDYPXTMPK-QGZVFWFLSA-N 1 2 346.475 1.809 50 0 EDAALO CCN(CC(=O)NC(C)C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000069743695 284396319 /nfs/dbraw/zinc/39/63/19/284396319.db2.gz DGFGHQDYPXTMPK-QGZVFWFLSA-N 1 2 346.475 1.809 50 0 EDAALO CCOC(=O)[C@@]1(CCC(N)=O)C[N@H+](Cc2ccccc2)CCC1=O ZINC000012506000 211394607 /nfs/dbraw/zinc/39/46/07/211394607.db2.gz TXVVVNJGOYSHDW-SFHVURJKSA-N 1 2 332.400 1.276 50 0 EDAALO CCOC(=O)[C@@]1(CCC(N)=O)C[N@@H+](Cc2ccccc2)CCC1=O ZINC000012506000 211394612 /nfs/dbraw/zinc/39/46/12/211394612.db2.gz TXVVVNJGOYSHDW-SFHVURJKSA-N 1 2 332.400 1.276 50 0 EDAALO Cn1cc[nH+]c1CNC(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1 ZINC000091526723 218017486 /nfs/dbraw/zinc/01/74/86/218017486.db2.gz IPWDVNHRAFCIRB-AWEZNQCLSA-N 1 2 332.448 1.998 50 0 EDAALO CO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1cn3ccccc3[nH+]1)CC2 ZINC000091665615 218044327 /nfs/dbraw/zinc/04/43/27/218044327.db2.gz YUPPKRBHNNOTAM-CVEARBPZSA-N 1 2 343.427 1.655 50 0 EDAALO CCCn1cc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c(C)n1 ZINC000091807068 218068523 /nfs/dbraw/zinc/06/85/23/218068523.db2.gz VTOBAYNNKCQPRA-UHFFFAOYSA-N 1 2 327.432 1.955 50 0 EDAALO CSCc1noc(CNC(=O)[C@@H](c2ccccc2F)[NH+](C)C)n1 ZINC000091893944 218084556 /nfs/dbraw/zinc/08/45/56/218084556.db2.gz JGHSQPWFNJNKPL-CQSZACIVSA-N 1 2 338.408 1.991 50 0 EDAALO CC(=O)N1CC[N@H+](Cc2cnn(-c3ccccc3Cl)c2)C[C@@H](O)C1 ZINC000091965984 218095886 /nfs/dbraw/zinc/09/58/86/218095886.db2.gz NIBWEXGEBZTJOU-OAHLLOKOSA-N 1 2 348.834 1.551 50 0 EDAALO CC(=O)N1CC[N@@H+](Cc2cnn(-c3ccccc3Cl)c2)C[C@@H](O)C1 ZINC000091965984 218095890 /nfs/dbraw/zinc/09/58/90/218095890.db2.gz NIBWEXGEBZTJOU-OAHLLOKOSA-N 1 2 348.834 1.551 50 0 EDAALO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccn2Cc2cccs2)C1 ZINC000093530790 218228763 /nfs/dbraw/zinc/22/87/63/218228763.db2.gz KSKBHRJXHSUWLT-ZDUSSCGKSA-N 1 2 339.486 1.721 50 0 EDAALO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccn2Cc2cccs2)C1 ZINC000093530790 218228766 /nfs/dbraw/zinc/22/87/66/218228766.db2.gz KSKBHRJXHSUWLT-ZDUSSCGKSA-N 1 2 339.486 1.721 50 0 EDAALO CCc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CCCCC2)=[NH+]1 ZINC000009225457 211055507 /nfs/dbraw/zinc/05/55/07/211055507.db2.gz ZLSMCWKCJPUADE-HNNXBMFYSA-N 1 2 328.416 1.918 50 0 EDAALO CCn1ccnc1CN1CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000095351796 218286143 /nfs/dbraw/zinc/28/61/43/218286143.db2.gz HSIKTXUHYNNDLX-QGZVFWFLSA-N 1 2 347.507 1.668 50 0 EDAALO CCc1ncc(C(=O)N2CC[N@H+](Cc3ccoc3)[C@H](CCO)C2)cn1 ZINC000095369159 218300977 /nfs/dbraw/zinc/30/09/77/218300977.db2.gz DERATJHNUXVDBH-MRXNPFEDSA-N 1 2 344.415 1.341 50 0 EDAALO CCc1ncc(C(=O)N2CC[N@@H+](Cc3ccoc3)[C@H](CCO)C2)cn1 ZINC000095369159 218300980 /nfs/dbraw/zinc/30/09/80/218300980.db2.gz DERATJHNUXVDBH-MRXNPFEDSA-N 1 2 344.415 1.341 50 0 EDAALO NC(=O)[C@@H]([NH2+]CC(=O)Nc1cccc2ncccc21)c1ccccc1 ZINC000095396212 218327699 /nfs/dbraw/zinc/32/76/99/218327699.db2.gz UTKHTQQPCVJFHE-SFHVURJKSA-N 1 2 334.379 1.990 50 0 EDAALO Cc1nc(S(=O)(=O)Cc2[nH+]ccn2C)n(C[C@@H]2CCCO2)c1C ZINC000095412157 218349155 /nfs/dbraw/zinc/34/91/55/218349155.db2.gz IJBFUJHTNVBERD-ZDUSSCGKSA-N 1 2 338.433 1.386 50 0 EDAALO CNC(=O)[C@H]1CCCN1C(=O)N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000095974043 218479450 /nfs/dbraw/zinc/47/94/50/218479450.db2.gz KOMNLUDTQHDZMQ-HUUCEWRRSA-N 1 2 341.415 1.614 50 0 EDAALO Cc1noc(C)c1NC(=O)N1CC[N@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000096152658 218630010 /nfs/dbraw/zinc/63/00/10/218630010.db2.gz NCOKSRHFOOFWRP-AWEZNQCLSA-N 1 2 348.403 1.985 50 0 EDAALO Cc1noc(C)c1NC(=O)N1CC[N@@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000096152658 218630014 /nfs/dbraw/zinc/63/00/14/218630014.db2.gz NCOKSRHFOOFWRP-AWEZNQCLSA-N 1 2 348.403 1.985 50 0 EDAALO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3cncs3)C2)cc1 ZINC000154604873 533042712 /nfs/dbraw/zinc/04/27/12/533042712.db2.gz VRBFIOHAMHGIPE-UHFFFAOYSA-N 1 2 339.442 1.314 50 0 EDAALO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000120096800 221480747 /nfs/dbraw/zinc/48/07/47/221480747.db2.gz VZSAKUJZGCRHLA-AWEZNQCLSA-N 1 2 337.387 1.815 50 0 EDAALO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)nn1 ZINC000330032276 258002453 /nfs/dbraw/zinc/00/24/53/258002453.db2.gz KXXDGTYERGHGQW-UHFFFAOYSA-N 1 2 332.429 1.895 50 0 EDAALO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)nn1 ZINC000330032276 258002454 /nfs/dbraw/zinc/00/24/54/258002454.db2.gz KXXDGTYERGHGQW-UHFFFAOYSA-N 1 2 332.429 1.895 50 0 EDAALO Cc1c(C[N@@H+]2CCn3nc(CNc4ncccn4)cc3C2)cnn1C ZINC000299779636 258089057 /nfs/dbraw/zinc/08/90/57/258089057.db2.gz SHEDEMRIIAMYHG-UHFFFAOYSA-N 1 2 338.419 1.343 50 0 EDAALO Cc1c(C[N@H+]2CCn3nc(CNc4ncccn4)cc3C2)cnn1C ZINC000299779636 258089059 /nfs/dbraw/zinc/08/90/59/258089059.db2.gz SHEDEMRIIAMYHG-UHFFFAOYSA-N 1 2 338.419 1.343 50 0 EDAALO Cc1ccc2[nH]c(CCNC(=O)[C@@H]3CCCN3C(N)=O)[nH+]c2c1C ZINC000299789924 258095648 /nfs/dbraw/zinc/09/56/48/258095648.db2.gz BFUKEFUNRVKAGX-ZDUSSCGKSA-N 1 2 329.404 1.382 50 0 EDAALO CCN(C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OC)c(C)c1 ZINC000072161470 258064470 /nfs/dbraw/zinc/06/44/70/258064470.db2.gz CNHSTQZVIVQLTA-OAHLLOKOSA-N 1 2 333.432 1.172 50 0 EDAALO CCN(C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OC)c(C)c1 ZINC000072161470 258064471 /nfs/dbraw/zinc/06/44/71/258064471.db2.gz CNHSTQZVIVQLTA-OAHLLOKOSA-N 1 2 333.432 1.172 50 0 EDAALO CCCn1ncnc1[C@H](C)NC(=O)CC1=CSC2=[NH+]CCCN12 ZINC000299759149 258076994 /nfs/dbraw/zinc/07/69/94/258076994.db2.gz PMOVOTKTASSQNT-NSHDSACASA-N 1 2 334.449 1.905 50 0 EDAALO COCCCS(=O)(=O)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000270568516 140125331 /nfs/dbraw/zinc/12/53/31/140125331.db2.gz MLBZIZGFVKGWHO-UHFFFAOYSA-N 1 2 338.433 1.051 50 0 EDAALO CC[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000332099640 141123001 /nfs/dbraw/zinc/12/30/01/141123001.db2.gz GDKRQQWNSAQWLG-NEPJUHHUSA-N 1 2 337.445 1.030 50 0 EDAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cnc(C)cn2)cc1 ZINC000030536351 292197723 /nfs/dbraw/zinc/19/77/23/292197723.db2.gz FPXIRUAAILVWNY-GOSISDBHSA-N 1 2 340.427 1.897 50 0 EDAALO CCS(=O)(=O)C[C@H](C)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000113632556 286638087 /nfs/dbraw/zinc/63/80/87/286638087.db2.gz KJLXHSIFWUXLQK-RYUDHWBXSA-N 1 2 328.438 1.470 50 0 EDAALO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3n[nH]nc3-c3ccccc3)C[C@@H]21 ZINC000408030660 158244779 /nfs/dbraw/zinc/24/47/79/158244779.db2.gz MMTZBZSWTVXXQR-KBPBESRZSA-N 1 2 327.388 1.017 50 0 EDAALO C[N@H+]1CCO[C@H]2CCN(C(=O)c3n[nH]nc3-c3ccccc3)C[C@@H]21 ZINC000408030660 158244780 /nfs/dbraw/zinc/24/47/80/158244780.db2.gz MMTZBZSWTVXXQR-KBPBESRZSA-N 1 2 327.388 1.017 50 0 EDAALO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3[nH]nnc3-c3ccccc3)[C@@H]2C1 ZINC000408066505 158255414 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EDAALO Cc1noc(C)c1C[NH+]1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000043617832 293930659 /nfs/dbraw/zinc/93/06/59/293930659.db2.gz HJMIVBZPQCKKES-QGZVFWFLSA-N 1 2 328.416 1.636 50 0 EDAALO NC(=O)C[N@@H+]1C[C@H](NC(=O)c2scc3c2CCCC3)[C@@H](C2CC2)C1 ZINC000091793776 295047341 /nfs/dbraw/zinc/04/73/41/295047341.db2.gz FAHQQNYDEOBWDX-CABCVRRESA-N 1 2 347.484 1.552 50 0 EDAALO NC(=O)C[N@H+]1C[C@H](NC(=O)c2scc3c2CCCC3)[C@@H](C2CC2)C1 ZINC000091793776 295047346 /nfs/dbraw/zinc/04/73/46/295047346.db2.gz FAHQQNYDEOBWDX-CABCVRRESA-N 1 2 347.484 1.552 50 0 EDAALO C[C@H](C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)n1cccn1 ZINC000044553002 440856330 /nfs/dbraw/zinc/85/63/30/440856330.db2.gz ZJLVBEUTEGSDFS-UONOGXRCSA-N 1 2 329.404 1.381 50 0 EDAALO O=C(CCn1cccn1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000044917003 440911823 /nfs/dbraw/zinc/91/18/23/440911823.db2.gz ORLSFOMUIABOPZ-CQSZACIVSA-N 1 2 334.445 1.524 50 0 EDAALO COc1ccc2c(c1)CCCN2C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000044935768 440914653 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CN(C)c1cc(CNC(=O)CN2C(=O)COc3ccccc32)cc[nH+]1 ZINC000044915895 440910199 /nfs/dbraw/zinc/91/01/99/440910199.db2.gz ZLJCAHOEUOSJIN-UHFFFAOYSA-N 1 2 340.383 1.189 50 0 EDAALO CN1N=C(C(=O)NCc2ccc(F)c(Cn3cc[nH+]c3)c2)CCC1=O ZINC000044955561 440927045 /nfs/dbraw/zinc/92/70/45/440927045.db2.gz QWJISUBIIMYCJT-UHFFFAOYSA-N 1 2 343.362 1.295 50 0 EDAALO Cc1cc2[nH+]cn(C[C@@H](O)CN3C(=O)NC(C)(C)C3=O)c2cc1C ZINC000044974513 440933922 /nfs/dbraw/zinc/93/39/22/440933922.db2.gz BWRVSGLFPUEARA-GFCCVEGCSA-N 1 2 330.388 1.344 50 0 EDAALO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 ZINC000069969569 441098430 /nfs/dbraw/zinc/09/84/30/441098430.db2.gz CNZWESVVOCEPOO-CYBMUJFWSA-N 1 2 330.384 1.322 50 0 EDAALO COc1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1F ZINC000011130155 441118832 /nfs/dbraw/zinc/11/88/32/441118832.db2.gz GXUULHJOCVQIIL-UHFFFAOYSA-N 1 2 345.374 1.996 50 0 EDAALO O=C(Cn1cc[nH+]c1)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 ZINC000011664029 441122744 /nfs/dbraw/zinc/12/27/44/441122744.db2.gz 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CSCCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)o1 ZINC000014958403 441191620 /nfs/dbraw/zinc/19/16/20/441191620.db2.gz OVYOEHUMMZFGOJ-AWEZNQCLSA-N 1 2 339.461 1.148 50 0 EDAALO CSCCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)o1 ZINC000014958403 441191625 /nfs/dbraw/zinc/19/16/25/441191625.db2.gz OVYOEHUMMZFGOJ-AWEZNQCLSA-N 1 2 339.461 1.148 50 0 EDAALO O=C1N(Cc2ccccc2F)CCC[C@]1(O)C[NH2+]Cc1ccon1 ZINC000015063532 441193951 /nfs/dbraw/zinc/19/39/51/441193951.db2.gz UTLMOVOLGXSYEV-KRWDZBQOSA-N 1 2 333.363 1.457 50 0 EDAALO CS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000072291802 441223336 /nfs/dbraw/zinc/22/33/36/441223336.db2.gz LFKXYNINMKBBJA-ZDUSSCGKSA-N 1 2 341.481 1.081 50 0 EDAALO CS(=O)(=O)NCCC[N@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000072291802 441223340 /nfs/dbraw/zinc/22/33/40/441223340.db2.gz LFKXYNINMKBBJA-ZDUSSCGKSA-N 1 2 341.481 1.081 50 0 EDAALO O=C(C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1)NCc1ccccn1 ZINC000072299875 441225544 /nfs/dbraw/zinc/22/55/44/441225544.db2.gz SHIISWLSJSTTTQ-AWEZNQCLSA-N 1 2 341.415 1.838 50 0 EDAALO O=C(C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1)NCc1ccccn1 ZINC000072299875 441225547 /nfs/dbraw/zinc/22/55/47/441225547.db2.gz SHIISWLSJSTTTQ-AWEZNQCLSA-N 1 2 341.415 1.838 50 0 EDAALO C[NH+](C)c1ccc(N2CCN(C(=O)CNC(=O)C(C)(C)C)CC2)cc1 ZINC000072297899 441226072 /nfs/dbraw/zinc/22/60/72/441226072.db2.gz RIWCDOUQZKYZEC-UHFFFAOYSA-N 1 2 346.475 1.564 50 0 EDAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)cc1 ZINC000016498595 441226354 /nfs/dbraw/zinc/22/63/54/441226354.db2.gz RXAPHKVJPJPRFI-UHFFFAOYSA-N 1 2 327.384 1.287 50 0 EDAALO O=C(C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1)NC[C@@H]1CCCO1 ZINC000072300385 441226590 /nfs/dbraw/zinc/22/65/90/441226590.db2.gz LFPNZBHZHHZTRQ-KBPBESRZSA-N 1 2 334.420 1.422 50 0 EDAALO O=C(C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1)NC[C@@H]1CCCO1 ZINC000072300385 441226596 /nfs/dbraw/zinc/22/65/96/441226596.db2.gz LFPNZBHZHHZTRQ-KBPBESRZSA-N 1 2 334.420 1.422 50 0 EDAALO C[C@@H](C[NH+]1CCOCC1)Nc1ccc2nnc(C(F)(F)F)n2n1 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O=C(c1ccc2sccc2c1)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21 ZINC000091745770 441734636 /nfs/dbraw/zinc/73/46/36/441734636.db2.gz CAQQYUDRMQDHFN-QWHCGFSZSA-N 1 2 336.438 1.112 50 0 EDAALO O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000042494349 441740644 /nfs/dbraw/zinc/74/06/44/441740644.db2.gz FXPWPEFHBSRFDM-HNNXBMFYSA-N 1 2 340.427 1.642 50 0 EDAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000042513636 441744701 /nfs/dbraw/zinc/74/47/01/441744701.db2.gz UMFUYWNABVYFKO-KBPBESRZSA-N 1 2 342.399 1.592 50 0 EDAALO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000091632824 441723264 /nfs/dbraw/zinc/72/32/64/441723264.db2.gz ZWPCLYZVZDPZQL-CZUORRHYSA-N 1 2 344.463 1.534 50 0 EDAALO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1n[nH]c(=O)[nH]1 ZINC000091632824 441723271 /nfs/dbraw/zinc/72/32/71/441723271.db2.gz ZWPCLYZVZDPZQL-CZUORRHYSA-N 1 2 344.463 1.534 50 0 EDAALO O=C(Cn1cc[nH+]c1)N1CC[C@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091694251 441729469 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Cn1ccc(N2CCC[C@@H](Sc3[nH+]cnc4c3cnn4C)C2=O)n1 ZINC000134204848 442458204 /nfs/dbraw/zinc/45/82/04/442458204.db2.gz VPRIZYNUDBVEEZ-LLVKDONJSA-N 1 2 343.416 1.385 50 0 EDAALO Cc1cc(NC(=O)CN2CC[NH+](Cc3sc(C)nc3C)CC2)no1 ZINC000172742067 442530241 /nfs/dbraw/zinc/53/02/41/442530241.db2.gz MOQXGMBTQJWNOZ-UHFFFAOYSA-N 1 2 349.460 1.813 50 0 EDAALO O=C(NCCn1cc[nH+]c1)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187035618 442647454 /nfs/dbraw/zinc/64/74/54/442647454.db2.gz GRTZGRHRBIWGGT-HNNXBMFYSA-N 1 2 336.342 1.944 50 0 EDAALO C[C@@H]1CN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000246932578 442822509 /nfs/dbraw/zinc/82/25/09/442822509.db2.gz JNMCTOXDLCVGCC-BASYENTBSA-N 1 2 346.427 1.394 50 0 EDAALO CO[C@H](C)CS(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000195466713 443021436 /nfs/dbraw/zinc/02/14/36/443021436.db2.gz BREJJMUBUJPCOH-GFCCVEGCSA-N 1 2 346.880 1.652 50 0 EDAALO CO[C@H](C)CS(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000195466713 443021440 /nfs/dbraw/zinc/02/14/40/443021440.db2.gz BREJJMUBUJPCOH-GFCCVEGCSA-N 1 2 346.880 1.652 50 0 EDAALO COC[C@@H](c1ccccn1)[N@H+](C)Cc1cc(=O)n2cccc(O)c2n1 ZINC000252493382 443032418 /nfs/dbraw/zinc/03/24/18/443032418.db2.gz NAYALNNHINLDPP-HNNXBMFYSA-N 1 2 340.383 1.615 50 0 EDAALO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(=O)n2cccc(O)c2n1 ZINC000252493382 443032421 /nfs/dbraw/zinc/03/24/21/443032421.db2.gz NAYALNNHINLDPP-HNNXBMFYSA-N 1 2 340.383 1.615 50 0 EDAALO O=C(N[C@H](CO)Cc1ccccc1)C1CC[NH+](CC(F)F)CC1 ZINC000252495691 443033166 /nfs/dbraw/zinc/03/31/66/443033166.db2.gz OWLGWPVOUNUCDO-HNNXBMFYSA-N 1 2 326.387 1.683 50 0 EDAALO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000253421254 443065015 /nfs/dbraw/zinc/06/50/15/443065015.db2.gz UBRPICURVFAKOZ-GUYCJALGSA-N 1 2 348.472 1.632 50 0 EDAALO c1nnc2c(N3C[C@@H]4[C@H](C3)OCC[N@H+]4Cc3ccccc3)nccn12 ZINC000221873436 443073211 /nfs/dbraw/zinc/07/32/11/443073211.db2.gz SZIWZNLUEKZEPI-CVEARBPZSA-N 1 2 336.399 1.214 50 0 EDAALO c1nnc2c(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4Cc3ccccc3)nccn12 ZINC000221873436 443073216 /nfs/dbraw/zinc/07/32/16/443073216.db2.gz SZIWZNLUEKZEPI-CVEARBPZSA-N 1 2 336.399 1.214 50 0 EDAALO CCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCOC[C@H]1OC ZINC000222628384 443079679 /nfs/dbraw/zinc/07/96/79/443079679.db2.gz CDVIXUDEMWJJIF-GDBMZVCRSA-N 1 2 331.416 1.909 50 0 EDAALO Cc1onc(N)c1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000225549661 443112370 /nfs/dbraw/zinc/11/23/70/443112370.db2.gz DOQQJEZCLLMCJS-ZDUSSCGKSA-N 1 2 336.417 1.118 50 0 EDAALO Cc1onc(N)c1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000225549661 443112374 /nfs/dbraw/zinc/11/23/74/443112374.db2.gz DOQQJEZCLLMCJS-ZDUSSCGKSA-N 1 2 336.417 1.118 50 0 EDAALO CCOc1ccccc1NC(=O)NC[C@]1([NH+]2CCOCC2)CCOC1 ZINC000257179688 443117863 /nfs/dbraw/zinc/11/78/63/443117863.db2.gz CWKMDMBEHQUUJP-GOSISDBHSA-N 1 2 349.431 1.698 50 0 EDAALO CN1C(=O)C[C@H](C(=O)N[C@H]2CCc3[nH+]ccn3C2)[C@@H]1c1ccccc1 ZINC000229664450 443130154 /nfs/dbraw/zinc/13/01/54/443130154.db2.gz GJGDOHYADVPDGT-MPGHIAIKSA-N 1 2 338.411 1.534 50 0 EDAALO Cc1occc1C(=O)NC1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC000185256451 443171235 /nfs/dbraw/zinc/17/12/35/443171235.db2.gz XXVINLKCCMORPG-UHFFFAOYSA-N 1 2 333.392 1.431 50 0 EDAALO OC[C@H]1CCCN1c1cc(N[C@H]2CCN(CC(F)(F)F)C2)nc[nH+]1 ZINC000257365186 443158487 /nfs/dbraw/zinc/15/84/87/443158487.db2.gz FAGVUZLBJBASSP-NWDGAFQWSA-N 1 2 345.369 1.486 50 0 EDAALO OC[C@@H]1CCCN1c1cc(N[C@H]2CCN(CC(F)(F)F)C2)nc[nH+]1 ZINC000257365187 443158580 /nfs/dbraw/zinc/15/85/80/443158580.db2.gz FAGVUZLBJBASSP-RYUDHWBXSA-N 1 2 345.369 1.486 50 0 EDAALO CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)c1ccc2c(c1)OCO2 ZINC000185890556 443277149 /nfs/dbraw/zinc/27/71/49/443277149.db2.gz DBVWEJWXRCHCLF-OAHLLOKOSA-N 1 2 332.400 1.879 50 0 EDAALO CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)c1ccc2c(c1)OCO2 ZINC000185890556 443277153 /nfs/dbraw/zinc/27/71/53/443277153.db2.gz DBVWEJWXRCHCLF-OAHLLOKOSA-N 1 2 332.400 1.879 50 0 EDAALO O=C(NCCc1cn[nH]c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000292130468 443778404 /nfs/dbraw/zinc/77/84/04/443778404.db2.gz XNGITUTWGNBWTO-UHFFFAOYSA-N 1 2 343.431 1.358 50 0 EDAALO C[C@H](CCC(=O)NCCc1nc2ccc(F)cc2[nH]1)[NH+]1CCOCC1 ZINC000299755181 444136412 /nfs/dbraw/zinc/13/64/12/444136412.db2.gz AZDMBBGBRWIVNO-CYBMUJFWSA-N 1 2 348.422 1.862 50 0 EDAALO CO[C@]12CCN(C(=O)C[N@H+](C)Cc3ccccn3)[C@H]1C[C@@H](O)CC2 ZINC000299773907 444138241 /nfs/dbraw/zinc/13/82/41/444138241.db2.gz FYMYGEHHTGUHKS-XYJFISCASA-N 1 2 333.432 1.044 50 0 EDAALO CO[C@]12CCN(C(=O)C[N@@H+](C)Cc3ccccn3)[C@H]1C[C@@H](O)CC2 ZINC000299773907 444138243 /nfs/dbraw/zinc/13/82/43/444138243.db2.gz FYMYGEHHTGUHKS-XYJFISCASA-N 1 2 333.432 1.044 50 0 EDAALO Cc1nc([C@@H](C)N2CC[NH+](CC(=O)NC3CCCCC3)CC2)no1 ZINC000351701749 445280016 /nfs/dbraw/zinc/28/00/16/445280016.db2.gz YFMKKSYDQLMCPW-CYBMUJFWSA-N 1 2 335.452 1.506 50 0 EDAALO CCc1nc(CSc2nnc(C[NH3+])n2-c2ccc(F)cc2)n[nH]1 ZINC000426490281 447456319 /nfs/dbraw/zinc/45/63/19/447456319.db2.gz WJAWGXLKEMAMHI-UHFFFAOYSA-N 1 2 333.396 1.838 50 0 EDAALO O=C(NC[C@@H]1CCCN(c2ncccn2)C1)N1CCn2c[nH+]cc2C1 ZINC000426734192 447496559 /nfs/dbraw/zinc/49/65/59/447496559.db2.gz ZEDWISXNBYXZTC-AWEZNQCLSA-N 1 2 341.419 1.115 50 0 EDAALO Cc1nc(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)c(C)s1 ZINC000408516652 447670235 /nfs/dbraw/zinc/67/02/35/447670235.db2.gz LWFAQDSHNHDNGP-GFCCVEGCSA-N 1 2 334.445 1.544 50 0 EDAALO COC(=O)C[C@H]1C[N@H+](C[C@H]2CN(c3ccccc3)CCO2)CCO1 ZINC000408522436 447674498 /nfs/dbraw/zinc/67/44/98/447674498.db2.gz JDXUSMXKCMNUFQ-IRXDYDNUSA-N 1 2 334.416 1.156 50 0 EDAALO COC(=O)C[C@H]1C[N@@H+](C[C@H]2CN(c3ccccc3)CCO2)CCO1 ZINC000408522436 447674503 /nfs/dbraw/zinc/67/45/03/447674503.db2.gz JDXUSMXKCMNUFQ-IRXDYDNUSA-N 1 2 334.416 1.156 50 0 EDAALO COCCN(Cc1c(C)nn(C)c1C)C(=O)NC[C@H](C)n1cc[nH+]c1 ZINC000584886348 448664370 /nfs/dbraw/zinc/66/43/70/448664370.db2.gz DJXZYGKXMVWKMX-ZDUSSCGKSA-N 1 2 348.451 1.653 50 0 EDAALO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN(CC(F)(F)CO)CC2)C1=O ZINC000585116014 448696953 /nfs/dbraw/zinc/69/69/53/448696953.db2.gz DFGUNSGILGGNTK-CQSZACIVSA-N 1 2 347.450 1.269 50 0 EDAALO Cn1ncc2c1nc[nH+]c2NCCc1ccccc1N1CCOCC1 ZINC000585142401 448712611 /nfs/dbraw/zinc/71/26/11/448712611.db2.gz WHFGMYUZDWEWET-UHFFFAOYSA-N 1 2 338.415 1.855 50 0 EDAALO Cc1cncc(/C=C\C(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)c1 ZINC000606442983 449469292 /nfs/dbraw/zinc/46/92/92/449469292.db2.gz GTVOFKOYPZKGBF-AWFCHZOYSA-N 1 2 341.415 1.815 50 0 EDAALO Cc1cncc(/C=C\C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)c1 ZINC000606442983 449469295 /nfs/dbraw/zinc/46/92/95/449469295.db2.gz GTVOFKOYPZKGBF-AWFCHZOYSA-N 1 2 341.415 1.815 50 0 EDAALO Cc1cc(C[N@H+]2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)no1 ZINC000084117053 486244906 /nfs/dbraw/zinc/24/49/06/486244906.db2.gz BKFJMGCTYLYDDS-HNNXBMFYSA-N 1 2 330.436 1.695 50 0 EDAALO Cc1cc(C[N@@H+]2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)no1 ZINC000084117053 486244912 /nfs/dbraw/zinc/24/49/12/486244912.db2.gz BKFJMGCTYLYDDS-HNNXBMFYSA-N 1 2 330.436 1.695 50 0 EDAALO Cc1cc(CN2CC[C@H]([N@@H+](C)Cc3nnc(C4CC4)n3C)C2)no1 ZINC000084117053 486244917 /nfs/dbraw/zinc/24/49/17/486244917.db2.gz BKFJMGCTYLYDDS-HNNXBMFYSA-N 1 2 330.436 1.695 50 0 EDAALO Cc1cc(CN2CC[C@H]([N@H+](C)Cc3nnc(C4CC4)n3C)C2)no1 ZINC000084117053 486244919 /nfs/dbraw/zinc/24/49/19/486244919.db2.gz BKFJMGCTYLYDDS-HNNXBMFYSA-N 1 2 330.436 1.695 50 0 EDAALO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cccc(CC)c2)C1 ZINC000092843294 491205584 /nfs/dbraw/zinc/20/55/84/491205584.db2.gz WLEMMBOAUWESIZ-OAHLLOKOSA-N 1 2 339.461 1.201 50 0 EDAALO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(CC)c2)C1 ZINC000092843294 491205588 /nfs/dbraw/zinc/20/55/88/491205588.db2.gz WLEMMBOAUWESIZ-OAHLLOKOSA-N 1 2 339.461 1.201 50 0 EDAALO COc1ccccc1COC1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000189806432 534092625 /nfs/dbraw/zinc/09/26/25/534092625.db2.gz AAIBEHWGCZYSBI-ZDUSSCGKSA-N 1 2 331.420 1.961 50 0 EDAALO CC1(C)[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)[C@H]2CCO[C@H]21 ZINC000230154403 535058662 /nfs/dbraw/zinc/05/86/62/535058662.db2.gz ALCYZKTXPOWBSV-RBSFLKMASA-N 1 2 341.415 1.880 50 0 EDAALO CC(C)(CNC(=O)c1cccnc1N1CCCCC1)[NH+]1CCOCC1 ZINC000042341509 535145344 /nfs/dbraw/zinc/14/53/44/535145344.db2.gz NBGZOTYMVQBEKW-UHFFFAOYSA-N 1 2 346.475 1.913 50 0 EDAALO CNS(=O)(=O)c1ccc(C[N@H+](C)Cc2nc(C)cs2)cc1 ZINC000216051900 536315453 /nfs/dbraw/zinc/31/54/53/536315453.db2.gz KQFNOZLDZBRMPN-UHFFFAOYSA-N 1 2 325.459 1.992 50 0 EDAALO CNS(=O)(=O)c1ccc(C[N@@H+](C)Cc2nc(C)cs2)cc1 ZINC000216051900 536315457 /nfs/dbraw/zinc/31/54/57/536315457.db2.gz KQFNOZLDZBRMPN-UHFFFAOYSA-N 1 2 325.459 1.992 50 0 EDAALO Cn1ncc2c1nc(C[N@H+](Cc1cccc(F)c1)C1CC1)[nH]c2=O ZINC000052832416 214149495 /nfs/dbraw/zinc/14/94/95/214149495.db2.gz JBMUNRBJDLHDOA-UHFFFAOYSA-N 1 2 327.363 1.960 50 0 EDAALO Cn1ncc2c1nc(C[N@@H+](Cc1cccc(F)c1)C1CC1)[nH]c2=O ZINC000052832416 214149498 /nfs/dbraw/zinc/14/94/98/214149498.db2.gz JBMUNRBJDLHDOA-UHFFFAOYSA-N 1 2 327.363 1.960 50 0 EDAALO Cc1c(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cnn1C ZINC000054972818 214261911 /nfs/dbraw/zinc/26/19/11/214261911.db2.gz PJRWKUHJYWFAAZ-UHFFFAOYSA-N 1 2 342.399 1.415 50 0 EDAALO O=C(NCc1nnc2n1CCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000055078050 214269685 /nfs/dbraw/zinc/26/96/85/214269685.db2.gz UMJGDPDPQVEENP-UHFFFAOYSA-N 1 2 346.460 1.313 50 0 EDAALO Cc1[nH]ccc1C(=O)N1CC[N@H+](Cc2cc(C3CC3)n[nH]2)C[C@@H](O)C1 ZINC000097797550 219057373 /nfs/dbraw/zinc/05/73/73/219057373.db2.gz NMPADRYYYQCXHA-OAHLLOKOSA-N 1 2 343.431 1.243 50 0 EDAALO Cc1[nH]ccc1C(=O)N1CC[N@@H+](Cc2cc(C3CC3)n[nH]2)C[C@@H](O)C1 ZINC000097797550 219057375 /nfs/dbraw/zinc/05/73/75/219057375.db2.gz NMPADRYYYQCXHA-OAHLLOKOSA-N 1 2 343.431 1.243 50 0 EDAALO C[N@H+](Cc1cccnc1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000095992674 530006617 /nfs/dbraw/zinc/00/66/17/530006617.db2.gz GMJWHBJQYFNIGL-KRWDZBQOSA-N 1 2 334.441 1.825 50 0 EDAALO C[N@@H+](Cc1cccnc1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000095992674 530006619 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CNc1nc(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3)[C@H](O)C2)cs1 ZINC000244852871 522682762 /nfs/dbraw/zinc/68/27/62/522682762.db2.gz VARQMHMUHXFNNF-HUUCEWRRSA-N 1 2 346.456 1.550 50 0 EDAALO CN(C(=O)C[N@H+](C)CCn1nc2ccccn2c1=O)C1CCCCC1 ZINC000040540769 523007899 /nfs/dbraw/zinc/00/78/99/523007899.db2.gz PIWKYFSYVKCAFW-UHFFFAOYSA-N 1 2 345.447 1.219 50 0 EDAALO CN(C(=O)C[N@@H+](C)CCn1nc2ccccn2c1=O)C1CCCCC1 ZINC000040540769 523007913 /nfs/dbraw/zinc/00/79/13/523007913.db2.gz PIWKYFSYVKCAFW-UHFFFAOYSA-N 1 2 345.447 1.219 50 0 EDAALO Cc1ncc(CN(C)CC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000052100850 214116339 /nfs/dbraw/zinc/11/63/39/214116339.db2.gz BUFOAKORJDEOAS-UHFFFAOYSA-N 1 2 345.472 1.627 50 0 EDAALO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCS(=O)(=O)CCC(N)=O ZINC000053232852 214171607 /nfs/dbraw/zinc/17/16/07/214171607.db2.gz FRFSDRUPIBYZMC-NSHDSACASA-N 1 2 332.853 1.623 50 0 EDAALO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCS(=O)(=O)CCC(N)=O ZINC000053232852 214171609 /nfs/dbraw/zinc/17/16/09/214171609.db2.gz 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COCc1nc(C[N@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)no1 ZINC000072162293 216050559 /nfs/dbraw/zinc/05/05/59/216050559.db2.gz VATHXAYUBYZZPB-SFHVURJKSA-N 1 2 342.399 1.726 50 0 EDAALO Cc1nc(C)n(C[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000072253532 216083426 /nfs/dbraw/zinc/08/34/26/216083426.db2.gz TWOVOMVZCKREOI-MRXNPFEDSA-N 1 2 344.415 1.567 50 0 EDAALO Cc1nc(C)n(C[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000072253532 216083429 /nfs/dbraw/zinc/08/34/29/216083429.db2.gz TWOVOMVZCKREOI-MRXNPFEDSA-N 1 2 344.415 1.567 50 0 EDAALO CCOc1ncccc1CNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000072276070 216100883 /nfs/dbraw/zinc/10/08/83/216100883.db2.gz FWLJPOGDIYJVSN-AWEZNQCLSA-N 1 2 329.404 1.844 50 0 EDAALO CCOc1ncccc1CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000072276070 216100887 /nfs/dbraw/zinc/10/08/87/216100887.db2.gz FWLJPOGDIYJVSN-AWEZNQCLSA-N 1 2 329.404 1.844 50 0 EDAALO Cc1ccc(-c2nnc(C[N@H+]3CCc4nn(C)c(=O)cc4C3)o2)cc1 ZINC000072302367 216141197 /nfs/dbraw/zinc/14/11/97/216141197.db2.gz 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